##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section E. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section E, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_I
_audit_creation_method     'SHELXL-2017/1'
_database_code_depnum_ccdc_archive     'CCDC 1960296'
_chemical_name_systematic
;
Bis(2-methylimidazo[1,5-a]pyridinium) trichloridoiodidozincate(II),
;
_chemical_name_common     ?
_chemical_formula_moiety
;
2(C8 H9 N2 +), Cl3.19 I0.81 Zn 2-
;
_chemical_formula_sum     'C16 H18 Cl3.19 I0.81 N4 Zn'
_chemical_formula_iupac
;
(C8 H9 N2)2 [Zn Cl3.19 I0.81]
;
_chemical_formula_weight     547.59
_chemical_melting_point     ?
_space_group_crystal_system     triclinic
_space_group_name_H-M_alt     'P -1'
_space_group_name_Hall     '-P 1'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     9.4588(6)
_cell_length_b     10.8892(8)
_cell_length_c     10.8343(9)
_cell_angle_alpha     100.305(7)
_cell_angle_beta     110.910(7)
_cell_angle_gamma     90.955(6)
_cell_volume     1021.67(14)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     6804
_cell_measurement_theta_min     2.142
_cell_measurement_theta_max     36.664
_cell_measurement_temperature     100(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.680
_exptl_crystal_size_mid     0.480
_exptl_crystal_size_min     0.200
_exptl_crystal_density_diffrn     1.780
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     538
loop_
    _exptl_crystal_face_index_h
    _exptl_crystal_face_index_k
    _exptl_crystal_face_index_l
    _exptl_crystal_face_perp_dist
    0 -1 0 0.1811
    0 2 1 0.1762
    1 -1 -3 0.2949
    -1 0 0 0.0834
    1 0 0 0.1157
    1 -1 1 0.1764
    -1 1 -1 0.1656
    0 -1 1 0.2411
    2 -1 -3 0.2812
    0 1 -1 0.2635
_exptl_absorpt_coefficient_mu     2.850
_exptl_absorpt_correction_type     analytical
_exptl_absorpt_process_details
;
CrysAlis Pro (Rigaku OD, 2016)
;
_exptl_absorpt_correction_T_min     0.284
_exptl_absorpt_correction_T_max     0.592
_diffrn_ambient_temperature     100(2)
_diffrn_source     ?
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Oxford Diffraction Xcalibur diffractometer'
_diffrn_measurement_method     'ω scans'
_diffrn_detector     'CCD plate'
_diffrn_detector_area_resol_mean     16.0009
_diffrn_reflns_number     21436
_diffrn_reflns_av_R_equivalents     0.0275
_diffrn_reflns_av_unetI/netI     0.0424
_diffrn_reflns_theta_min     1.908
_diffrn_reflns_theta_max     37.250
_diffrn_reflns_theta_full     25.242
_diffrn_measured_fraction_theta_max     0.954
_diffrn_measured_fraction_theta_full     0.998
_diffrn_reflns_limit_h_min     -15
_diffrn_reflns_limit_h_max     16
_diffrn_reflns_limit_k_min     -18
_diffrn_reflns_limit_k_max     18
_diffrn_reflns_limit_l_min     -16
_diffrn_reflns_limit_l_max     17
_diffrn_radiation_probe     x-ray
_refine_special_details
;
The halogen sites 2,3,4 were modelled as being part Cl and part I, with Cl
site occupancies refined to 0.3034(15), 0.9489(12) and 0.9343(12) respectively
 with the I site occupancies being the complements.
The cations were modelled as being rotationally disordered by 180 degrees.
The site occupancies refined to 0.855(17) and its complement for both
cations after independent refinement showed insignificant differences in the
values for the two cations.
;
_reflns_number_total     10105
_reflns_number_gt     8082
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0585
_refine_ls_R_factor_gt     0.0438
_refine_ls_wR_factor_gt     0.0954
_refine_ls_wR_factor_ref     0.1035
_refine_ls_goodness_of_fit_ref     1.030
_refine_ls_restrained_S_all     1.052
_refine_ls_number_reflns     10105
_refine_ls_number_parameters     241
_refine_ls_number_restraints     6
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0358P)²+1.1052P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     1.674
_refine_diff_density_min     -1.134
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     .
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cl' 'Cl' 0.1484 0.1585
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'I' 'I' -0.4742 1.8119
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Zn' 'Zn' 0.2839 1.4301
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
CrysAlis Pro (Rigaku OD, 2016)
;
_computing_cell_refinement
;
CrysAlis Pro (Rigaku OD, 2016)
;
_computing_data_reduction
;
CrysAlis Pro (Rigaku OD, 2016)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_computing_structure_refinement
;
SHELXL-2017 (Sheldrick, 2015b)
;
_computing_molecular_graphics
;
Mercury (Macrae et al, 2020)
;
_computing_publication_material
;
WinGX (Farrugia, 2012)
;
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    C C11 0.6600(2) 0.6614(2) 0.1111(2) 0.0248(4) Uani d 1 . .
    H H11 0.646426 0.711007 0.044607 0.030 Uiso calc 1 A 1
    N N12 0.7941(2) 0.62397(18) 0.1886(2) 0.0252(4) Uani d 1 . .
    C C12 0.9412(3) 0.6546(3) 0.1804(3) 0.0357(5) Uani d 1 . .
    H H12A 0.946281 0.605948 0.096999 0.053 Uiso calc 1 . .
    H H12B 1.022688 0.634282 0.258022 0.053 Uiso calc 1 . .
    H H12C 0.953186 0.744278 0.180683 0.053 Uiso calc 1 . .
    C C13 0.7715(2) 0.5545(2) 0.2710(2) 0.0263(4) Uani d 1 . .
    H H13 0.847038 0.517102 0.333981 0.032 Uiso calc 1 B 1
    N N13A 0.6223(2) 0.54728(18) 0.2485(2) 0.0233(4) Uani d 0.855(17) C 1
    C C13A 0.6223(2) 0.54728(18) 0.2485(2) 0.0233(4) Uani d 0.145(17) C 2
    C C14 0.5420(3) 0.4899(2) 0.3113(3) 0.0303(5) Uani d 1 . .
    H H14 0.592227 0.444246 0.379171 0.036 Uiso calc 1 C 1
    C C15 0.3917(3) 0.5003(2) 0.2739(3) 0.0334(5) Uani d 1 . .
    H H15 0.335840 0.463471 0.317513 0.040 Uiso calc 1 . .
    C C16 0.3147(3) 0.5662(2) 0.1692(3) 0.0324(5) Uani d 1 . .
    H H16 0.208174 0.571172 0.143478 0.039 Uiso calc 1 . .
    C C17 0.3906(2) 0.6215(2) 0.1063(3) 0.0273(4) Uani d 1 . .
    H H17 0.338477 0.664132 0.036158 0.033 Uiso calc 1 C 1
    C C17A 0.5491(2) 0.61438(19) 0.1470(2) 0.0222(4) Uani d 0.855(17) C 1
    N N17A 0.5491(2) 0.61438(19) 0.1470(2) 0.0222(4) Uani d 0.145(17) C 2
    C C21 0.2953(3) 0.9033(2) 0.3100(3) 0.0312(5) Uani d 1 . .
    H H21 0.197680 0.902835 0.316380 0.037 Uiso calc 1 C 1
    N N22 0.3346(2) 0.9439(2) 0.2132(2) 0.0312(4) Uani d 1 . .
    C C22 0.2337(4) 0.9986(3) 0.1032(3) 0.0476(8) Uani d 1 . .
    H H22A 0.201246 1.076857 0.140803 0.071 Uiso calc 1 . .
    H H22B 0.144421 0.939600 0.049935 0.071 Uiso calc 1 . .
    H H22C 0.288028 1.015842 0.045426 0.071 Uiso calc 1 . .
    C C23 0.4809(3) 0.9309(2) 0.2357(2) 0.0286(4) Uani d 1 . .
    H H23 0.535049 0.952375 0.182601 0.034 Uiso calc 1 C 1
    N N23A 0.5377(2) 0.88212(18) 0.34650(19) 0.0228(4) Uani d 0.855(17) C 1
    C C23A 0.5377(2) 0.88212(18) 0.34650(19) 0.0228(4) Uani d 0.145(17) C 2
    C C24 0.6857(3) 0.8517(2) 0.4121(3) 0.0324(5) Uani d 1 . .
    H H24 0.763660 0.864674 0.378530 0.039 Uiso calc 1 C 1
    C C25 0.7145(4) 0.8036(3) 0.5241(3) 0.0417(7) Uani d 1 . .
    H H25 0.813962 0.781557 0.569003 0.050 Uiso calc 1 . .
    C C26 0.6008(4) 0.7853(3) 0.5760(3) 0.0435(7) Uani d 1 . .
    H H26 0.625542 0.752176 0.655778 0.052 Uiso calc 1 . .
    C C27 0.4577(4) 0.8137(2) 0.5151(3) 0.0377(6) Uani d 1 . .
    H H27 0.381785 0.800864 0.550997 0.045 Uiso calc 1 C 1
    C C27A 0.4226(3) 0.8635(2) 0.3958(2) 0.0254(4) Uani d 0.855(17) C 1
    N N27A 0.4226(3) 0.8635(2) 0.3958(2) 0.0254(4) Uani d 0.145(17) C 2
    Zn Zn1 0.83992(3) 0.19500(3) 0.25185(3) 0.02399(7) Uani d 1 . .
    Cl Cl1 0.58526(6) 0.19206(6) 0.13225(6) 0.02775(11) Uani d 1 . .
    Cl Cl2 0.9808(5) 0.2984(5) 0.1553(5) 0.02266(7) Uani d 0.3034(15) . .
    I I2 1.00082(4) 0.30678(4) 0.14728(5) 0.02266(7) Uani d 0.6966(15) . .
    Cl Cl3 0.90002(15) -0.00570(10) 0.25354(14) 0.03234(17) Uani d 0.9489(12) .
.
    I I3 0.8998(9) -0.0326(4) 0.2395(9) 0.03234(17) Uani d 0.0511(12) . .
    Cl Cl4 0.88891(13) 0.30928(11) 0.46268(11) 0.03401(18) Uani d 0.9343(12) . .
    I I4 0.8998(6) 0.3042(5) 0.4976(3) 0.03401(18) Uani d 0.0657(12) . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    C11 N17A . 1.363(3) ?
    C11 C17A . 1.363(3) ?
    C11 N12 . 1.364(3) ?
    C11 H11 . 0.9500 ?
    N12 C13 . 1.338(3) ?
    N12 C12 . 1.462(3) ?
    C12 H12A . 0.9800 ?
    C12 H12B . 0.9800 ?
    C12 H12C . 0.9800 ?
    C13 C13A . 1.341(3) ?
    C13 N13A . 1.341(3) ?
    C13 H13 . 0.9500 ?
    N13A C14 . 1.392(3) ?
    N13A C17A . 1.408(3) ?
    C13A C14 . 1.392(3) ?
    C13A N17A . 1.408(3) ?
    C14 C15 . 1.345(4) ?
    C14 H14 . 0.9500 ?
    C15 C16 . 1.432(4) ?
    C15 H15 . 0.9500 ?
    C16 C17 . 1.350(4) ?
    C16 H16 . 0.9500 ?
    C17 N17A . 1.411(3) ?
    C17 C17A . 1.411(3) ?
    C17 H17 . 0.9500 ?
    C21 N27A . 1.365(4) ?
    C21 C27A . 1.365(4) ?
    C21 N22 . 1.368(4) ?
    C21 H21 . 0.9500 ?
    N22 C23 . 1.332(3) ?
    N22 C22 . 1.465(3) ?
    C22 H22A . 0.9800 ?
    C22 H22B . 0.9800 ?
    C22 H22C . 0.9800 ?
    C23 C23A . 1.338(3) ?
    C23 N23A . 1.338(3) ?
    C23 H23 . 0.9500 ?
    N23A C27A . 1.400(3) ?
    N23A C24 . 1.401(3) ?
    C23A N27A . 1.400(3) ?
    C23A C24 . 1.401(3) ?
    C24 C25 . 1.348(4) ?
    C24 H24 . 0.9500 ?
    C25 C26 . 1.406(5) ?
    C25 H25 . 0.9500 ?
    C26 C27 . 1.347(5) ?
    C26 H26 . 0.9500 ?
    C27 N27A . 1.422(4) ?
    C27 C27A . 1.422(4) ?
    C27 H27 . 0.9500 ?
    Zn1 Cl3 . 2.2689(10) y
    Zn1 Cl4 . 2.2780(11) y
    Zn1 Cl1 . 2.2884(6) y
    Zn1 Cl2 . 2.346(3) y
    Zn1 I3 . 2.542(4) y
    Zn1 I4 . 2.568(3) y
    Zn1 I2 . 2.5969(4) y
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    N17A C11 N12 . . 107.2(2) ?
    C17A C11 N12 . . 107.2(2) ?
    C17A C11 H11 . . 126.4 ?
    N12 C11 H11 . . 126.4 ?
    C13 N12 C11 . . 110.52(19) ?
    C13 N12 C12 . . 125.2(2) ?
    C11 N12 C12 . . 124.3(2) ?
    N12 C12 H12A . . 109.5 ?
    N12 C12 H12B . . 109.5 ?
    H12A C12 H12B . . 109.5 ?
    N12 C12 H12C . . 109.5 ?
    H12A C12 H12C . . 109.5 ?
    H12B C12 H12C . . 109.5 ?
    N12 C13 C13A . . 107.4(2) ?
    N12 C13 N13A . . 107.4(2) ?
    N12 C13 H13 . . 126.3 ?
    N13A C13 H13 . . 126.3 ?
    C13 N13A C14 . . 129.9(2) ?
    C13 N13A C17A . . 108.77(19) ?
    C14 N13A C17A . . 121.32(19) ?
    C13 C13A C14 . . 129.9(2) ?
    C13 C13A N17A . . 108.77(19) ?
    C14 C13A N17A . . 121.32(19) ?
    C15 C14 N13A . . 118.6(2) ?
    C15 C14 C13A . . 118.6(2) ?
    C15 C14 H14 . . 120.7 ?
    N13A C14 H14 . . 120.7 ?
    C14 C15 C16 . . 120.9(2) ?
    C14 C15 H15 . . 119.5 ?
    C16 C15 H15 . . 119.5 ?
    C17 C16 C15 . . 121.3(2) ?
    C17 C16 H16 . . 119.4 ?
    C15 C16 H16 . . 119.4 ?
    C16 C17 N17A . . 118.5(2) ?
    C16 C17 C17A . . 118.5(2) ?
    C16 C17 H17 . . 120.7 ?
    C17A C17 H17 . . 120.7 ?
    C11 C17A N13A . . 106.19(18) ?
    C11 C17A C17 . . 134.5(2) ?
    N13A C17A C17 . . 119.4(2) ?
    C11 N17A C13A . . 106.19(18) ?
    C11 N17A C17 . . 134.5(2) ?
    C13A N17A C17 . . 119.4(2) ?
    N27A C21 N22 . . 107.2(2) ?
    C27A C21 N22 . . 107.2(2) ?
    C27A C21 H21 . . 126.4 ?
    N22 C21 H21 . . 126.4 ?
    C23 N22 C21 . . 110.1(2) ?
    C23 N22 C22 . . 124.1(3) ?
    C21 N22 C22 . . 125.7(3) ?
    N22 C22 H22A . . 109.5 ?
    N22 C22 H22B . . 109.5 ?
    H22A C22 H22B . . 109.5 ?
    N22 C22 H22C . . 109.5 ?
    H22A C22 H22C . . 109.5 ?
    H22B C22 H22C . . 109.5 ?
    N22 C23 C23A . . 107.6(2) ?
    N22 C23 N23A . . 107.6(2) ?
    N22 C23 H23 . . 126.2 ?
    N23A C23 H23 . . 126.2 ?
    C23 N23A C27A . . 109.2(2) ?
    C23 N23A C24 . . 129.8(2) ?
    C27A N23A C24 . . 121.1(2) ?
    C23 C23A N27A . . 109.2(2) ?
    C23 C23A C24 . . 129.8(2) ?
    N27A C23A C24 . . 121.1(2) ?
    C25 C24 N23A . . 118.2(3) ?
    C25 C24 C23A . . 118.2(3) ?
    C25 C24 H24 . . 120.9 ?
    N23A C24 H24 . . 120.9 ?
    C24 C25 C26 . . 121.6(3) ?
    C24 C25 H25 . . 119.2 ?
    C26 C25 H25 . . 119.2 ?
    C27 C26 C25 . . 121.4(3) ?
    C27 C26 H26 . . 119.3 ?
    C25 C26 H26 . . 119.3 ?
    C26 C27 N27A . . 118.6(3) ?
    C26 C27 C27A . . 118.6(3) ?
    C26 C27 H27 . . 120.7 ?
    C27A C27 H27 . . 120.7 ?
    C21 C27A N23A . . 105.9(2) ?
    C21 C27A C27 . . 135.0(2) ?
    N23A C27A C27 . . 119.1(2) ?
    C21 N27A C23A . . 105.9(2) ?
    C21 N27A C27 . . 135.0(2) ?
    C23A N27A C27 . . 119.1(2) ?
    Cl3 Zn1 Cl4 . . 112.60(5) y
    Cl3 Zn1 Cl1 . . 108.40(4) y
    Cl4 Zn1 Cl1 . . 107.71(4) y
    Cl3 Zn1 Cl2 . . 110.84(13) y
    Cl4 Zn1 Cl2 . . 106.83(14) y
    Cl1 Zn1 Cl2 . . 110.41(12) y
    Cl3 Zn1 I3 . . 3.2(2) ?
    Cl4 Zn1 I3 . . 115.8(2) y
    Cl1 Zn1 I3 . . 106.36(19) y
    Cl2 Zn1 I3 . . 109.7(2) y
    Cl3 Zn1 I4 . . 107.23(14) y
    Cl4 Zn1 I4 . . 5.44(15) ?
    Cl1 Zn1 I4 . . 109.51(13) y
    Cl2 Zn1 I4 . . 110.37(19) y
    I3 Zn1 I4 . . 110.4(2) y
    Cl3 Zn1 I2 . . 109.83(4) y
    Cl4 Zn1 I2 . . 106.78(4) y
    Cl1 Zn1 I2 . . 111.54(2) y
    Cl2 Zn1 I2 . . 1.24(13) ?
    I3 Zn1 I2 . . 108.8(2) y
    I4 Zn1 I2 . . 110.22(13) y
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    N17A C11 N12 C13 . . . . 0.4(3) ?
    C17A C11 N12 C13 . . . . 0.4(3) ?
    N17A C11 N12 C12 . . . . 179.7(2) ?
    C17A C11 N12 C12 . . . . 179.7(2) ?
    C11 N12 C13 C13A . . . . -0.6(3) ?
    C12 N12 C13 C13A . . . . -179.8(2) ?
    C11 N12 C13 N13A . . . . -0.6(3) ?
    C12 N12 C13 N13A . . . . -179.8(2) ?
    N12 C13 N13A C14 . . . . -177.5(2) ?
    N12 C13 N13A C17A . . . . 0.4(3) ?
    N12 C13 C13A C14 . . . . -177.5(2) ?
    N12 C13 C13A N17A . . . . 0.4(3) ?
    C13 N13A C14 C15 . . . . 177.2(2) ?
    C17A N13A C14 C15 . . . . -0.5(3) ?
    C13 C13A C14 C15 . . . . 177.2(2) ?
    N17A C13A C14 C15 . . . . -0.5(3) ?
    N13A C14 C15 C16 . . . . 1.6(4) ?
    C13A C14 C15 C16 . . . . 1.6(4) ?
    C14 C15 C16 C17 . . . . -1.0(4) ?
    C15 C16 C17 N17A . . . . -0.8(4) ?
    C15 C16 C17 C17A . . . . -0.8(4) ?
    N12 C11 C17A N13A . . . . -0.1(2) ?
    N12 C11 C17A C17 . . . . 178.9(2) ?
    C13 N13A C17A C11 . . . . -0.2(2) ?
    C14 N13A C17A C11 . . . . 177.9(2) ?
    C13 N13A C17A C17 . . . . -179.4(2) ?
    C14 N13A C17A C17 . . . . -1.3(3) ?
    C16 C17 C17A C11 . . . . -177.1(2) ?
    C16 C17 C17A N13A . . . . 1.9(3) ?
    N12 C11 N17A C13A . . . . -0.1(2) ?
    N12 C11 N17A C17 . . . . 178.9(2) ?
    C13 C13A N17A C11 . . . . -0.2(2) ?
    C14 C13A N17A C11 . . . . 177.9(2) ?
    C13 C13A N17A C17 . . . . -179.4(2) ?
    C14 C13A N17A C17 . . . . -1.3(3) ?
    C16 C17 N17A C11 . . . . -177.1(2) ?
    C16 C17 N17A C13A . . . . 1.9(3) ?
    N27A C21 N22 C23 . . . . 0.0(3) ?
    C27A C21 N22 C23 . . . . 0.0(3) ?
    N27A C21 N22 C22 . . . . -177.8(2) ?
    C27A C21 N22 C22 . . . . -177.8(2) ?
    C21 N22 C23 C23A . . . . 0.0(3) ?
    C22 N22 C23 C23A . . . . 177.8(2) ?
    C21 N22 C23 N23A . . . . 0.0(3) ?
    C22 N22 C23 N23A . . . . 177.8(2) ?
    N22 C23 N23A C27A . . . . 0.1(3) ?
    N22 C23 N23A C24 . . . . -179.5(2) ?
    N22 C23 C23A N27A . . . . 0.1(3) ?
    N22 C23 C23A C24 . . . . -179.5(2) ?
    C23 N23A C24 C25 . . . . 179.6(2) ?
    C27A N23A C24 C25 . . . . 0.2(3) ?
    C23 C23A C24 C25 . . . . 179.6(2) ?
    N27A C23A C24 C25 . . . . 0.2(3) ?
    N23A C24 C25 C26 . . . . -0.8(4) ?
    C23A C24 C25 C26 . . . . -0.8(4) ?
    C24 C25 C26 C27 . . . . 0.8(4) ?
    C25 C26 C27 N27A . . . . -0.1(4) ?
    C25 C26 C27 C27A . . . . -0.1(4) ?
    N22 C21 C27A N23A . . . . 0.1(2) ?
    N22 C21 C27A C27 . . . . 178.8(3) ?
    C23 N23A C27A C21 . . . . -0.1(2) ?
    C24 N23A C27A C21 . . . . 179.5(2) ?
    C23 N23A C27A C27 . . . . -179.1(2) ?
    C24 N23A C27A C27 . . . . 0.5(3) ?
    C26 C27 C27A C21 . . . . -179.1(3) ?
    C26 C27 C27A N23A . . . . -0.5(3) ?
    N22 C21 N27A C23A . . . . 0.1(2) ?
    N22 C21 N27A C27 . . . . 178.8(3) ?
    C23 C23A N27A C21 . . . . -0.1(2) ?
    C24 C23A N27A C21 . . . . 179.5(2) ?
    C23 C23A N27A C27 . . . . -179.1(2) ?
    C24 C23A N27A C27 . . . . 0.5(3) ?
    C26 C27 N27A C21 . . . . -179.1(3) ?
    C26 C27 N27A C23A . . . . -0.5(3) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    _geom_hbond_publ_flag
    C13 H13 I4 2_766 0.95 2.88 3.349(5) 111.5 yes
    C12 H12B Cl4 2_766 0.98 2.78 3.562(3) 136.9 yes
    C12 H12C Cl3 1_565 0.98 2.80 3.698(3) 152.5 yes
    C11 H11 Cl1 2_665 0.95 2.72 3.484(2) 138.1 yes
    C22 H22B I2 2_665 0.98 3.06 3.946(3) 150.6 yes
    C22 H22C I3 2_665 0.98 3.00 3.562(9) 117.4 yes
    C23 H23 Cl1 1_565 0.95 2.83 3.486(3) 127.4 yes
    C24 H24 Cl3 1_565 0.95 2.71 3.579(3) 151.8 yes
    C27 H27 Cl4 2_666 0.95 2.75 3.624(3) 152.8 yes
_shelx_estimated_absorpt_T_min     0.247
_shelx_estimated_absorpt_T_max     0.600
data_II
_audit_creation_method     'SHELXL-2017/1'
_database_code_depnum_ccdc_archive     'CCDC 1960327'
_chemical_name_systematic
;
Bis(2-methylimidazo[1,5-a]pyridinium) dibromidodichloridozincate(II)
;
_chemical_name_common     ?
_chemical_formula_moiety
;
2(C8 H9 N2 +), Br2.42 Cd Cl1.58 2-
;
_chemical_formula_sum     'C16 H18 Br2.42 Cd Cl1.58 N4'
_chemical_formula_iupac
;
(C8 H9 N2)2 [Cd Br2.42 Cl1.58]
;
_chemical_formula_weight     628.14
_chemical_melting_point     ?
_space_group_crystal_system     triclinic
_space_group_name_H-M_alt     'P -1'
_space_group_name_Hall     '-P 1'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     9.5172(5)
_cell_length_b     10.8293(6)
_cell_length_c     10.9697(6)
_cell_angle_alpha     99.620(5)
_cell_angle_beta     110.413(5)
_cell_angle_gamma     90.827(5)
_cell_volume     1041.45(10)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     6082
_cell_measurement_theta_min     2.479
_cell_measurement_theta_max     31.906
_cell_measurement_temperature     100(2)
_exptl_crystal_description     plate
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.360
_exptl_crystal_size_mid     0.280
_exptl_crystal_size_min     0.105
_exptl_crystal_density_diffrn     2.003
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     603
loop_
    _exptl_crystal_face_index_h
    _exptl_crystal_face_index_k
    _exptl_crystal_face_index_l
    _exptl_crystal_face_perp_dist
    1 0 2 0.0991
    -1 0 -2 0.0697
    1 1 0 0.0964
    0 1 1 0.0542
    0 -1 -1 0.0527
    -1 0 0 0.1049
    0 3 -4 0.094
    -1 1 -1 0.0896
    1 -1 1 0.1654
    3 0 -2 0.1375
    0 -1 2 0.2327
_exptl_absorpt_coefficient_mu     5.900
_exptl_absorpt_correction_type     analytical
_exptl_absorpt_process_details
;
CrysAlis Pro (Rigaku OD, 2016)
;
_exptl_absorpt_correction_T_min     0.206
_exptl_absorpt_correction_T_max     0.53
_diffrn_ambient_temperature     100(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Oxford Diffraction Gemini diffractometer'
_diffrn_measurement_device     'four-circle diffractometer'
_diffrn_measurement_method     'ω scans'
_diffrn_detector     'CCD plate'
_diffrn_detector_area_resol_mean     10.4738
_diffrn_reflns_number     15893
_diffrn_reflns_av_R_equivalents     0.0360
_diffrn_reflns_av_unetI/netI     0.0537
_diffrn_reflns_theta_min     2.015
_diffrn_reflns_theta_max     32.703
_diffrn_reflns_theta_full     25.242
_diffrn_measured_fraction_theta_max     0.896
_diffrn_measured_fraction_theta_full     0.997
_diffrn_reflns_limit_h_min     -13
_diffrn_reflns_limit_h_max     14
_diffrn_reflns_limit_k_min     -16
_diffrn_reflns_limit_k_max     16
_diffrn_reflns_limit_l_min     -15
_diffrn_reflns_limit_l_max     16
_diffrn_radiation_probe     x-ray
_refine_special_details
;
 The halide atom sites were modelled as being part Br and part Cl with
 site occupancies refined to 0.417(2), 0.857(2), 0.558(2) and 0.590(2) for
 the Br occupancy for sites 1-4 with the Cl occupancies being the
 complements.  Cd-X bond lengths of the disordered atoms
were restrained to ideal values.
The cations were modelled as being rotationally disordered by 180 degrees.
The site occupancies refined to 0.73(2) and its complement for cation 1
and 0.75(2) and its complement for cation 2.
 Three reflections with very poor agreement were omitted from the
refinement.
;
_reflns_number_total     6879
_reflns_number_gt     5371
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0551
_refine_ls_R_factor_gt     0.0358
_refine_ls_wR_factor_gt     0.0607
_refine_ls_wR_factor_ref     0.0681
_refine_ls_goodness_of_fit_ref     1.039
_refine_ls_restrained_S_all     1.111
_refine_ls_number_reflns     6879
_refine_ls_number_parameters     246
_refine_ls_number_restraints     8
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0190P)²+0.3916P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.890
_refine_diff_density_min     -0.769
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     .
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Br' 'Br' -0.2901 2.4595
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cd' 'Cd' -0.8075 1.2024
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cl' 'Cl' 0.1484 0.1585
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
CrysAlis Pro (Rigaku OD, 2016)
;
_computing_cell_refinement
;
CrysAlis Pro (Rigaku OD, 2016)
;
_computing_data_reduction
;
CrysAlis Pro (Rigaku OD, 2016)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_computing_structure_refinement
;
SHELXL2017 (Sheldrick, 2015b)
;
_computing_molecular_graphics
;
Mercury (Macrae et al, 2020)
;
_computing_publication_material
;
WinGX (Farrugia, 2012)
;
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    C C11 0.6551(3) 0.6498(2) 0.1036(3) 0.0215(6) Uani d 1 . .
    H H11 0.643060 0.698431 0.036699 0.026 Uiso calc 1 A 1
    N N12 0.7851(3) 0.6065(2) 0.1763(2) 0.0203(5) Uani d 1 . .
    C C12 0.9297(3) 0.6271(3) 0.1610(3) 0.0269(7) Uani d 1 . .
    H H12A 0.988955 0.697944 0.228531 0.040 Uiso calc 1 . .
    H H12B 0.912731 0.645988 0.072888 0.040 Uiso calc 1 . .
    H H12C 0.984506 0.551360 0.171451 0.040 Uiso calc 1 . .
    C C13 0.7613(3) 0.5408(2) 0.2620(3) 0.0208(6) Uani d 1 . .
    H H13 0.834623 0.500985 0.323175 0.025 Uiso calc 1 B 1
    N N13A 0.6145(3) 0.5421(2) 0.2452(3) 0.0199(6) Uani d 0.73(2) C 1
    C C13A 0.6145(3) 0.5421(2) 0.2452(3) 0.0199(6) Uani d 0.27(2) C 2
    C C14 0.5319(4) 0.4908(3) 0.3114(3) 0.0274(7) Uani d 1 . .
    H H14 0.579079 0.444386 0.378932 0.033 Uiso calc 1 C 1
    C C15 0.3853(4) 0.5089(3) 0.2773(4) 0.0329(8) Uani d 1 . .
    H H15 0.328458 0.476488 0.322639 0.039 Uiso calc 1 . .
    C C16 0.3130(4) 0.5764(3) 0.1734(4) 0.0313(7) Uani d 1 . .
    H H16 0.208509 0.586480 0.150273 0.038 Uiso calc 1 . .
    C C17 0.3887(3) 0.6259(2) 0.1076(3) 0.0243(6) Uani d 1 . .
    H H17 0.339129 0.669834 0.038431 0.029 Uiso calc 1 C 1
    C C17A 0.5446(3) 0.6103(2) 0.1446(3) 0.0197(6) Uani d 0.73(2) C 1
    N N17A 0.5446(3) 0.6103(2) 0.1446(3) 0.0197(6) Uani d 0.27(2) C 2
    C C21 0.3022(3) 0.8993(2) 0.3242(3) 0.0221(6) Uani d 1 . .
    H H21 0.207038 0.901456 0.334175 0.027 Uiso calc 1 D 1
    N N22 0.3367(3) 0.9351(2) 0.2233(2) 0.0219(5) Uani d 1 . .
    C C22 0.2316(4) 0.9859(3) 0.1121(3) 0.0309(7) Uani d 1 . .
    H H22A 0.285214 1.008631 0.056212 0.046 Uiso calc 1 . .
    H H22B 0.190771 1.060694 0.146702 0.046 Uiso calc 1 . .
    H H22C 0.149190 0.922204 0.059430 0.046 Uiso calc 1 . .
    C C23 0.4808(4) 0.9189(2) 0.2403(3) 0.0225(6) Uani d 1 . .
    H H23 0.531495 0.936507 0.183524 0.027 Uiso calc 1 E 1
    N N23A 0.5413(3) 0.8728(2) 0.3535(2) 0.0181(5) Uani d 0.75(2) F 1
    C C23A 0.5413(3) 0.8728(2) 0.3535(2) 0.0181(5) Uani d 0.25(2) F 2
    C C24 0.6873(3) 0.8389(3) 0.4152(3) 0.0250(6) Uani d 1 . .
    H H24 0.762633 0.847636 0.378149 0.030 Uiso calc 1 F 1
    C C25 0.7187(4) 0.7935(3) 0.5287(3) 0.0285(7) Uani d 1 . .
    H H25 0.816635 0.768429 0.570170 0.034 Uiso calc 1 . .
    C C26 0.6081(4) 0.7824(3) 0.5877(3) 0.0285(7) Uani d 1 . .
    H H26 0.634114 0.752055 0.668515 0.034 Uiso calc 1 . .
    C C27 0.4670(4) 0.8146(2) 0.5297(3) 0.0252(7) Uani d 1 . .
    H H27 0.393603 0.807294 0.569120 0.030 Uiso calc 1 F 1
    C C27A 0.4298(3) 0.8598(2) 0.4078(3) 0.0211(6) Uani d 0.75(2) F 1
    N N27A 0.4298(3) 0.8598(2) 0.4078(3) 0.0211(6) Uani d 0.25(2) F 2
    Cd Cd1 0.84620(2) 0.18609(2) 0.25086(2) 0.01928(6) Uani d 1 . .
    Br Br1 0.5610(3) 0.1881(11) 0.1247(10) 0.0222(4) Uani d 0.417(2) . .
    Cl Cl1 0.5727(5) 0.1844(19) 0.1340(18) 0.0222(4) Uani d 0.583(2) . .
    Br Br2 1.0021(2) 0.2985(2) 0.1431(2) 0.02319(16) Uani d 0.857(2) . .
    Cl Cl2 1.003(3) 0.291(3) 0.155(3) 0.02319(16) Uani d 0.143(2) . .
    Br Br3 0.9014(7) -0.04313(18) 0.2368(6) 0.0262(2) Uani d 0.558(2) . .
    Cl Cl3 0.902(2) -0.0282(6) 0.2367(19) 0.0262(2) Uani d 0.442(2) . .
    Br Br4 0.8962(4) 0.31677(16) 0.48575(14) 0.0245(3) Uani d 0.590(2) . .
    Cl Cl4 0.8977(14) 0.2952(7) 0.4831(5) 0.0245(3) Uani d 0.410(2) . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    C11 N12 . 1.356(4) ?
    C11 N17A . 1.368(4) ?
    C11 C17A . 1.368(4) ?
    C11 H11 . 0.9500 ?
    N12 C13 . 1.345(4) ?
    N12 C12 . 1.462(3) ?
    C12 H12A . 0.9800 ?
    C12 H12B . 0.9800 ?
    C12 H12C . 0.9800 ?
    C13 C13A . 1.345(4) ?
    C13 N13A . 1.345(4) ?
    C13 H13 . 0.9500 ?
    N13A C14 . 1.404(4) ?
    N13A C17A . 1.408(4) ?
    C13A C14 . 1.404(4) ?
    C13A N17A . 1.408(4) ?
    C14 C15 . 1.339(4) ?
    C14 H14 . 0.9500 ?
    C15 C16 . 1.433(5) ?
    C15 H15 . 0.9500 ?
    C16 C17 . 1.344(4) ?
    C16 H16 . 0.9500 ?
    C17 N17A . 1.415(4) ?
    C17 C17A . 1.415(4) ?
    C17 H17 . 0.9500 ?
    C21 N27A . 1.366(4) ?
    C21 C27A . 1.366(4) ?
    C21 N22 . 1.369(4) ?
    C21 H21 . 0.9500 ?
    N22 C23 . 1.337(4) ?
    N22 C22 . 1.477(4) ?
    C22 H22A . 0.9800 ?
    C22 H22B . 0.9800 ?
    C22 H22C . 0.9800 ?
    C23 C23A . 1.357(4) ?
    C23 N23A . 1.357(4) ?
    C23 H23 . 0.9500 ?
    N23A C24 . 1.402(4) ?
    N23A C27A . 1.402(3) ?
    C23A C24 . 1.402(4) ?
    C23A N27A . 1.402(3) ?
    C24 C25 . 1.353(4) ?
    C24 H24 . 0.9500 ?
    C25 C26 . 1.427(4) ?
    C25 H25 . 0.9500 ?
    C26 C27 . 1.350(4) ?
    C26 H26 . 0.9500 ?
    C27 N27A . 1.431(4) ?
    C27 C27A . 1.431(4) ?
    C27 H27 . 0.9500 ?
    Cd1 Cl3 . 2.380(4) y
    Cd1 Cl2 . 2.460(5) y
    Cd1 Cl1 . 2.467(3) y
    Cd1 Cl4 . 2.497(4) y
    Cd1 Br3 . 2.5353(12) y
    Cd1 Br1 . 2.5834(17) y
    Cd1 Br2 . 2.5950(5) y
    Cd1 Br4 . 2.6029(11) y
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    N12 C11 N17A . . 107.3(2) ?
    N12 C11 C17A . . 107.3(2) ?
    N12 C11 H11 . . 126.3 ?
    C17A C11 H11 . . 126.3 ?
    C13 N12 C11 . . 110.5(2) ?
    C13 N12 C12 . . 125.2(3) ?
    C11 N12 C12 . . 124.3(2) ?
    N12 C12 H12A . . 109.5 ?
    N12 C12 H12B . . 109.5 ?
    H12A C12 H12B . . 109.5 ?
    N12 C12 H12C . . 109.5 ?
    H12A C12 H12C . . 109.5 ?
    H12B C12 H12C . . 109.5 ?
    C13A C13 N12 . . 107.4(3) ?
    N13A C13 N12 . . 107.4(3) ?
    N13A C13 H13 . . 126.3 ?
    N12 C13 H13 . . 126.3 ?
    C13 N13A C14 . . 130.7(3) ?
    C13 N13A C17A . . 108.6(2) ?
    C14 N13A C17A . . 120.8(2) ?
    C13 C13A C14 . . 130.7(3) ?
    C13 C13A N17A . . 108.6(2) ?
    C14 C13A N17A . . 120.8(2) ?
    C15 C14 N13A . . 118.6(3) ?
    C15 C14 C13A . . 118.6(3) ?
    C15 C14 H14 . . 120.7 ?
    N13A C14 H14 . . 120.7 ?
    C14 C15 C16 . . 120.8(3) ?
    C14 C15 H15 . . 119.6 ?
    C16 C15 H15 . . 119.6 ?
    C17 C16 C15 . . 122.0(3) ?
    C17 C16 H16 . . 119.0 ?
    C15 C16 H16 . . 119.0 ?
    C16 C17 N17A . . 117.9(3) ?
    C16 C17 C17A . . 117.9(3) ?
    C16 C17 H17 . . 121.1 ?
    C17A C17 H17 . . 121.1 ?
    C11 C17A N13A . . 106.3(2) ?
    C11 C17A C17 . . 133.9(3) ?
    N13A C17A C17 . . 119.9(2) ?
    C11 N17A C13A . . 106.3(2) ?
    C11 N17A C17 . . 133.9(3) ?
    C13A N17A C17 . . 119.9(2) ?
    N27A C21 N22 . . 107.5(3) ?
    C27A C21 N22 . . 107.5(3) ?
    C27A C21 H21 . . 126.2 ?
    N22 C21 H21 . . 126.2 ?
    C23 N22 C21 . . 110.2(2) ?
    C23 N22 C22 . . 124.3(3) ?
    C21 N22 C22 . . 125.5(3) ?
    N22 C22 H22A . . 109.5 ?
    N22 C22 H22B . . 109.5 ?
    H22A C22 H22B . . 109.5 ?
    N22 C22 H22C . . 109.5 ?
    H22A C22 H22C . . 109.5 ?
    H22B C22 H22C . . 109.5 ?
    N22 C23 C23A . . 107.3(2) ?
    N22 C23 N23A . . 107.3(2) ?
    N22 C23 H23 . . 126.3 ?
    N23A C23 H23 . . 126.3 ?
    C23 N23A C24 . . 130.4(3) ?
    C23 N23A C27A . . 108.7(3) ?
    C24 N23A C27A . . 120.9(2) ?
    C23 C23A C24 . . 130.4(3) ?
    C23 C23A N27A . . 108.7(3) ?
    C24 C23A N27A . . 120.9(2) ?
    C25 C24 N23A . . 118.6(3) ?
    C25 C24 C23A . . 118.6(3) ?
    C25 C24 H24 . . 120.7 ?
    N23A C24 H24 . . 120.7 ?
    C24 C25 C26 . . 121.6(3) ?
    C24 C25 H25 . . 119.2 ?
    C26 C25 H25 . . 119.2 ?
    C27 C26 C25 . . 120.6(3) ?
    C27 C26 H26 . . 119.7 ?
    C25 C26 H26 . . 119.7 ?
    C26 C27 N27A . . 118.9(3) ?
    C26 C27 C27A . . 118.9(3) ?
    C26 C27 H27 . . 120.5 ?
    C27A C27 H27 . . 120.5 ?
    C21 C27A N23A . . 106.2(2) ?
    C21 C27A C27 . . 134.4(3) ?
    N23A C27A C27 . . 119.4(3) ?
    C21 N27A C23A . . 106.2(2) ?
    C21 N27A C27 . . 134.4(3) ?
    C23A N27A C27 . . 119.4(3) ?
    Cl3 Cd1 Cl2 . . 107.3(10) y
    Cl3 Cd1 Cl1 . . 106.1(7) y
    Cl2 Cd1 Cl1 . . 114.9(9) y
    Cl3 Cd1 Cl4 . . 112.7(5) y
    Cl2 Cd1 Cl4 . . 109.6(9) y
    Cl1 Cd1 Cl4 . . 106.3(6) y
    Cl3 Cd1 Br3 . . 1.0(6) ?
    Cl2 Cd1 Br3 . . 108.4(9) y
    Cl1 Cd1 Br3 . . 105.3(5) y
    Cl4 Cd1 Br3 . . 112.4(2) y
    Cl3 Cd1 Br1 . . 107.0(5) y
    Cl2 Cd1 Br1 . . 113.4(8) y
    Cl1 Cd1 Br1 . . 1.5(7) ?
    Cl4 Cd1 Br1 . . 106.9(4) y
    Br3 Cd1 Br1 . . 106.2(3) y
    Cl3 Cd1 Br2 . . 108.3(5) y
    Cl2 Cd1 Br2 . . 2.1(8) ?
    Cl1 Cd1 Br2 . . 112.8(5) y
    Cl4 Cd1 Br2 . . 110.6(2) y
    Br3 Cd1 Br2 . . 109.34(14) y
    Br1 Cd1 Br2 . . 111.3(3) y
    Cl3 Cd1 Br4 . . 117.3(5) y
    Cl2 Cd1 Br4 . . 106.6(9) y
    Cl1 Cd1 Br4 . . 104.9(5) y
    Cl4 Cd1 Br4 . . 4.6(2) ?
    Br3 Cd1 Br4 . . 117.00(15) y
    Br1 Cd1 Br4 . . 105.4(3) y
    Br2 Cd1 Br4 . . 107.57(8) y
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    N17A C11 N12 C13 . . . . 0.0(3) ?
    C17A C11 N12 C13 . . . . 0.0(3) ?
    N17A C11 N12 C12 . . . . 179.1(2) ?
    C17A C11 N12 C12 . . . . 179.1(2) ?
    C11 N12 C13 C13A . . . . -0.3(3) ?
    C12 N12 C13 C13A . . . . -179.3(2) ?
    C11 N12 C13 N13A . . . . -0.3(3) ?
    C12 N12 C13 N13A . . . . -179.3(2) ?
    N12 C13 N13A C14 . . . . -178.2(3) ?
    N12 C13 N13A C17A . . . . 0.4(3) ?
    N12 C13 C13A C14 . . . . -178.2(3) ?
    N12 C13 C13A N17A . . . . 0.4(3) ?
    C13 N13A C14 C15 . . . . 178.1(3) ?
    C17A N13A C14 C15 . . . . -0.4(4) ?
    C13 C13A C14 C15 . . . . 178.1(3) ?
    N17A C13A C14 C15 . . . . -0.4(4) ?
    N13A C14 C15 C16 . . . . 1.5(4) ?
    C13A C14 C15 C16 . . . . 1.5(4) ?
    C14 C15 C16 C17 . . . . -1.1(5) ?
    C15 C16 C17 N17A . . . . -0.5(4) ?
    C15 C16 C17 C17A . . . . -0.5(4) ?
    N12 C11 C17A N13A . . . . 0.2(3) ?
    N12 C11 C17A C17 . . . . 179.7(3) ?
    C13 N13A C17A C11 . . . . -0.4(3) ?
    C14 N13A C17A C11 . . . . 178.3(2) ?
    C13 N13A C17A C17 . . . . -179.9(2) ?
    C14 N13A C17A C17 . . . . -1.2(4) ?
    C16 C17 C17A C11 . . . . -177.8(3) ?
    C16 C17 C17A N13A . . . . 1.6(4) ?
    N12 C11 N17A C13A . . . . 0.2(3) ?
    N12 C11 N17A C17 . . . . 179.7(3) ?
    C13 C13A N17A C11 . . . . -0.4(3) ?
    C14 C13A N17A C11 . . . . 178.3(2) ?
    C13 C13A N17A C17 . . . . -179.9(2) ?
    C14 C13A N17A C17 . . . . -1.2(4) ?
    C16 C17 N17A C11 . . . . -177.8(3) ?
    C16 C17 N17A C13A . . . . 1.6(4) ?
    N27A C21 N22 C23 . . . . 0.3(3) ?
    C27A C21 N22 C23 . . . . 0.3(3) ?
    N27A C21 N22 C22 . . . . -179.0(2) ?
    C27A C21 N22 C22 . . . . -179.0(2) ?
    C21 N22 C23 C23A . . . . -0.3(3) ?
    C22 N22 C23 C23A . . . . 179.0(2) ?
    C21 N22 C23 N23A . . . . -0.3(3) ?
    C22 N22 C23 N23A . . . . 179.0(2) ?
    N22 C23 N23A C24 . . . . 179.5(2) ?
    N22 C23 N23A C27A . . . . 0.2(3) ?
    N22 C23 C23A C24 . . . . 179.5(2) ?
    N22 C23 C23A N27A . . . . 0.2(3) ?
    C23 N23A C24 C25 . . . . -179.4(3) ?
    C27A N23A C24 C25 . . . . -0.1(4) ?
    C23 C23A C24 C25 . . . . -179.4(3) ?
    N27A C23A C24 C25 . . . . -0.1(4) ?
    N23A C24 C25 C26 . . . . -1.5(4) ?
    C23A C24 C25 C26 . . . . -1.5(4) ?
    C24 C25 C26 C27 . . . . 1.5(4) ?
    C25 C26 C27 N27A . . . . 0.1(4) ?
    C25 C26 C27 C27A . . . . 0.1(4) ?
    N22 C21 C27A N23A . . . . -0.2(3) ?
    N22 C21 C27A C27 . . . . 178.5(3) ?
    C23 N23A C27A C21 . . . . 0.0(3) ?
    C24 N23A C27A C21 . . . . -179.4(2) ?
    C23 N23A C27A C27 . . . . -178.9(2) ?
    C24 N23A C27A C27 . . . . 1.7(4) ?
    C26 C27 C27A C21 . . . . 179.8(3) ?
    C26 C27 C27A N23A . . . . -1.7(4) ?
    N22 C21 N27A C23A . . . . -0.2(3) ?
    N22 C21 N27A C27 . . . . 178.5(3) ?
    C23 C23A N27A C21 . . . . 0.0(3) ?
    C24 C23A N27A C21 . . . . -179.4(2) ?
    C23 C23A N27A C27 . . . . -178.9(2) ?
    C24 C23A N27A C27 . . . . 1.7(4) ?
    C26 C27 N27A C21 . . . . 179.8(3) ?
    C26 C27 N27A C23A . . . . -1.7(4) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    _geom_hbond_publ_flag
    C11 H11 Br1 2_665 0.95 2.61 3.401(9) 140.9 yes
    C12 H12B Br2 2_765 0.98 2.90 3.820(3) 155.9 yes
    C12 H12C Br2 . 0.98 2.72 3.621(4) 153.4 yes
    C13 H13 Br4 . 0.95 2.83 3.666(4) 147.7 yes
    C13 H13 Br4 2_766 0.95 3.09 3.577(4) 113.2 yes
    C17 H17 Br1 2_665 0.95 2.92 3.649(12) 134.3 yes
    C21 H21 Br3 1_465 0.95 2.84 3.685(6) 148.8 yes
    C23 H23 Br1 1_565 0.95 2.93 3.541(12) 122.8 yes
    C24 H24 Br3 1_565 0.95 2.75 3.627(6) 154.5 yes
    C27 H27 Br4 2_666 0.95 2.87 3.657(4) 140.9 yes
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_T_min     0.225
_shelx_estimated_absorpt_T_max     0.576
data_III
_audit_creation_method     'SHELXL-2017/1'
_database_code_depnum_ccdc_archive     'CCDC 1960270'
_chemical_name_systematic
;
Bis(2-methylimidazo[1,5-a]pyridinium) trichloridoiodidozincate(II)
;
_chemical_name_common     ?
_chemical_formula_moiety     '2(C8 H9 N2 +), Cd Cl3.90 I0.10 2-'
_chemical_formula_sum     'C16 H18 Cd Cl3.90 I0.10 N4'
_chemical_formula_iupac     '(C8 H9 N2)2 [Cd Cl3.90 I0.10]'
_chemical_formula_weight     529.69
_chemical_melting_point     ?
_space_group_crystal_system     triclinic
_space_group_name_H-M_alt     'P -1'
_space_group_name_Hall     '-P 1'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     9.4304(3)
_cell_length_b     10.7968(3)
_cell_length_c     10.7565(3)
_cell_angle_alpha     99.209(3)
_cell_angle_beta     110.746(3)
_cell_angle_gamma     90.837(2)
_cell_volume     1007.97(5)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     10758
_cell_measurement_theta_min     4.16
_cell_measurement_theta_max     67.209
_cell_measurement_temperature     100(2)
_exptl_crystal_description     needle
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.250
_exptl_crystal_size_mid     0.080
_exptl_crystal_size_min     0.040
_exptl_crystal_density_diffrn     1.745
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     523
loop_
    _exptl_crystal_face_index_h
    _exptl_crystal_face_index_k
    _exptl_crystal_face_index_l
    _exptl_crystal_face_perp_dist
    1 -1 1 0.019
    -1 1 -1 0.0214
    2 -1 0 0.0321
    0 1 1 0.1097
    -1 0 0 0.0261
    2 0 0 0.0179
    -1 -1 -2 0.1071
_exptl_absorpt_coefficient_mu     14.693
_exptl_absorpt_correction_type     analytical
_exptl_absorpt_process_details
;
CrysAlis Pro (Rigaku OD, 2016)
;
_exptl_absorpt_correction_T_min     0.052
_exptl_absorpt_correction_T_max     0.522
_diffrn_ambient_temperature     100(2)
_diffrn_source     'sealed X-ray tube'
_diffrn_radiation_type     CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_monochromator     mirror
_diffrn_measurement_device_type     'Oxford Diffraction Gemini diffractometer'
_diffrn_measurement_method     'ω scans'
_diffrn_detector     'CCD plate'
_diffrn_detector_area_resol_mean     10.4738
_diffrn_reflns_number     18506
_diffrn_reflns_av_R_equivalents     0.0406
_diffrn_reflns_av_unetI/netI     0.0253
_diffrn_reflns_theta_min     4.160
_diffrn_reflns_theta_max     67.281
_diffrn_reflns_theta_full     67.281
_diffrn_measured_fraction_theta_max     0.991
_diffrn_measured_fraction_theta_full     0.991
_diffrn_reflns_limit_h_min     -11
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     12
_diffrn_reflns_limit_l_min     -12
_diffrn_reflns_limit_l_max     12
_diffrn_radiation_probe     x-ray
_refine_special_details
;
The halogen site 2 was modelled as being part Cl and part I, with Cl
site occupancies refined to 0.9008(15) with the I site occupancies being
its complement. Cd-X bond lengths of the disordered atoms were
restrained to ideal values.
The cations were modelled as being rotationally disordered by 180 degrees.
The site occupancies refined to 0.72(3) and its complement for cation 1
and 0.81(3) and its complement for cation 2.
;
_reflns_number_total     3581
_reflns_number_gt     3309
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0297
_refine_ls_R_factor_gt     0.0267
_refine_ls_wR_factor_gt     0.0652
_refine_ls_wR_factor_ref     0.0675
_refine_ls_goodness_of_fit_ref     1.058
_refine_ls_restrained_S_all     1.064
_refine_ls_number_reflns     3581
_refine_ls_number_parameters     234
_refine_ls_number_restraints     2
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0384P)²+0.6373P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.787
_refine_diff_density_min     -0.460
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     .
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0181 0.0091
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0311 0.0180
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cl' 'Cl' 0.3639 0.7018
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cd' 'Cd' 0.1185 4.6533
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'I' 'I' -0.3257 6.8362
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
CrysAlis Pro (Rigaku OD, 2016)
;
_computing_cell_refinement
;
CrysAlis Pro (Rigaku OD, 2016)
;
_computing_data_reduction
;
CrysAlis Pro (Rigaku OD, 2016)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_computing_structure_refinement
;
SHELXL2017 (Sheldrick, 2015b)
;
_computing_molecular_graphics
;
Mercury (Macrae et al, 2020)
;
_computing_publication_material
;
WinGX (Farrugia, 2012)
;
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    C C11 0.6607(3) 0.6542(3) 0.1045(3) 0.0263(6) Uani d 1 . .
    H H11 0.649443 0.704261 0.037015 0.032 Uiso calc 1 A 1
    N N12 0.7924(3) 0.6108(2) 0.1810(2) 0.0254(5) Uani d 1 . .
    C C12 0.9396(3) 0.6325(3) 0.1681(3) 0.0326(7) Uani d 1 . .
    H H12A 1.010714 0.681187 0.252843 0.049 Uiso calc 1 . .
    H H12B 0.926939 0.679406 0.094506 0.049 Uiso calc 1 . .
    H H12C 0.979688 0.551513 0.148316 0.049 Uiso calc 1 . .
    C C13 0.7667(3) 0.5435(3) 0.2662(3) 0.0279(6) Uani d 1 . .
    H H13 0.840247 0.503253 0.329448 0.034 Uiso calc 1 B 1
    N N13A 0.6172(3) 0.5435(2) 0.2456(3) 0.0273(7) Uani d 0.72(3) C 1
    C C13A 0.6172(3) 0.5435(2) 0.2456(3) 0.0273(7) Uani d 0.28(3) C 2
    C C14 0.5312(4) 0.4912(3) 0.3101(3) 0.0371(7) Uani d 1 . .
    H H14 0.577624 0.444977 0.380184 0.045 Uiso calc 1 C 1
    C C15 0.3812(4) 0.5080(3) 0.2705(4) 0.0409(8) Uani d 1 . .
    H H15 0.321888 0.473974 0.314089 0.049 Uiso calc 1 . .
    C C16 0.3102(4) 0.5760(3) 0.1644(4) 0.0367(7) Uani d 1 . .
    H H16 0.204106 0.585364 0.137727 0.044 Uiso calc 1 . .
    C C17 0.3904(3) 0.6272(3) 0.1010(3) 0.0303(6) Uani d 1 . .
    H H17 0.342153 0.672136 0.030121 0.036 Uiso calc 1 C 1
    C C17A 0.5482(3) 0.6124(3) 0.1428(3) 0.0263(7) Uani d 0.72(3) C 1
    N N17A 0.5482(3) 0.6124(3) 0.1428(3) 0.0263(7) Uani d 0.28(3) C 2
    C C21 0.2961(3) 0.8984(3) 0.3210(3) 0.0300(6) Uani d 1 . .
    H H21 0.200250 0.899221 0.331504 0.036 Uiso calc 1 D 1
    N N22 0.3296(3) 0.9360(2) 0.2187(2) 0.0307(5) Uani d 1 . .
    C C22 0.2224(4) 0.9883(3) 0.1069(3) 0.0408(8) Uani d 1 . .
    H H22A 0.276822 1.018014 0.053509 0.061 Uiso calc 1 . .
    H H22B 0.175995 1.058734 0.143448 0.061 Uiso calc 1 . .
    H H22C 0.142796 0.922893 0.049311 0.061 Uiso calc 1 . .
    C C23 0.4755(4) 0.9209(3) 0.2355(3) 0.0302(6) Uani d 1 . .
    H H23 0.525500 0.939492 0.177260 0.036 Uiso calc 1 E 1
    N N23A 0.5383(3) 0.8745(2) 0.3502(2) 0.0271(6) Uani d 0.81(3) F 1
    C C23A 0.5383(3) 0.8745(2) 0.3502(2) 0.0271(6) Uani d 0.19(3) F 2
    C C24 0.6866(3) 0.8419(3) 0.4123(3) 0.0323(7) Uani d 1 . .
    H H24 0.761877 0.851903 0.374101 0.039 Uiso calc 1 F 1
    C C25 0.7201(4) 0.7958(3) 0.5286(3) 0.0365(7) Uani d 1 . .
    H H25 0.819879 0.771912 0.571491 0.044 Uiso calc 1 . .
    C C26 0.6093(4) 0.7825(3) 0.5874(3) 0.0372(7) Uani d 1 . .
    H H26 0.636663 0.751661 0.670001 0.045 Uiso calc 1 . .
    C C27 0.4657(4) 0.8128(3) 0.5282(3) 0.0323(7) Uani d 1 . .
    H H27 0.392058 0.803067 0.568133 0.039 Uiso calc 1 F 1
    C C27A 0.4262(3) 0.8595(3) 0.4050(3) 0.0269(7) Uani d 0.81(3) F 1
    N N27A 0.4262(3) 0.8595(3) 0.4050(3) 0.0269(7) Uani d 0.19(3) F 2
    Cd Cd1 0.84479(2) 0.18596(2) 0.25036(2) 0.02670(9) Uani d 1 . .
    Cl Cl1 0.56777(8) 0.18525(7) 0.12937(7) 0.03186(16) Uani d 1 . .
    Cl Cl2 0.9928(4) 0.2964(3) 0.1472(4) 0.0282(3) Uani d 0.9008(15) . .
    I I2 1.0135(10) 0.3068(9) 0.1370(10) 0.0282(3) Uani d 0.0992(15) . .
    Cl Cl3 0.90087(9) -0.03537(7) 0.23842(8) 0.03669(18) Uani d 1 . .
    Cl Cl4 0.89426(8) 0.30982(7) 0.47693(7) 0.03601(18) Uani d 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    C11 N12 . 1.362(4) ?
    C11 N17A . 1.363(4) ?
    C11 C17A . 1.363(4) ?
    C11 H11 . 0.9500 ?
    N12 C13 . 1.338(4) ?
    N12 C12 . 1.462(4) ?
    C12 H12A . 0.9800 ?
    C12 H12B . 0.9800 ?
    C12 H12C . 0.9800 ?
    C13 C13A . 1.347(4) ?
    C13 N13A . 1.347(4) ?
    C13 H13 . 0.9500 ?
    N13A C17A . 1.402(4) ?
    N13A C14 . 1.402(4) ?
    C13A N17A . 1.402(4) ?
    C13A C14 . 1.402(4) ?
    C14 C15 . 1.350(5) ?
    C14 H14 . 0.9500 ?
    C15 C16 . 1.425(5) ?
    C15 H15 . 0.9500 ?
    C16 C17 . 1.348(5) ?
    C16 H16 . 0.9500 ?
    C17 N17A . 1.413(4) ?
    C17 C17A . 1.413(4) ?
    C17 H17 . 0.9500 ?
    C21 N27A . 1.360(4) ?
    C21 C27A . 1.360(4) ?
    C21 N22 . 1.364(4) ?
    C21 H21 . 0.9500 ?
    N22 C23 . 1.338(4) ?
    N22 C22 . 1.470(4) ?
    C22 H22A . 0.9800 ?
    C22 H22B . 0.9800 ?
    C22 H22C . 0.9800 ?
    C23 C23A . 1.346(4) ?
    C23 N23A . 1.346(4) ?
    C23 H23 . 0.9500 ?
    N23A C24 . 1.398(4) ?
    N23A C27A . 1.399(4) ?
    C23A C24 . 1.398(4) ?
    C23A N27A . 1.399(4) ?
    C24 C25 . 1.355(5) ?
    C24 H24 . 0.9500 ?
    C25 C26 . 1.416(5) ?
    C25 H25 . 0.9500 ?
    C26 C27 . 1.347(5) ?
    C26 H26 . 0.9500 ?
    C27 N27A . 1.420(4) ?
    C27 C27A . 1.420(4) ?
    C27 H27 . 0.9500 ?
    Cd1 Cl3 . 2.4481(8) y
    Cd1 Cl2 . 2.4654(16) y
    Cd1 Cl4 . 2.4655(7) y
    Cd1 Cl1 . 2.4710(7) y
    Cd1 I2 . 2.747(4) y
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    N12 C11 N17A . . 107.1(3) ?
    N12 C11 C17A . . 107.1(3) ?
    N12 C11 H11 . . 126.4 ?
    C17A C11 H11 . . 126.4 ?
    C13 N12 C11 . . 110.5(2) ?
    C13 N12 C12 . . 125.3(3) ?
    C11 N12 C12 . . 124.2(2) ?
    N12 C12 H12A . . 109.5 ?
    N12 C12 H12B . . 109.5 ?
    H12A C12 H12B . . 109.5 ?
    N12 C12 H12C . . 109.5 ?
    H12A C12 H12C . . 109.5 ?
    H12B C12 H12C . . 109.5 ?
    N12 C13 C13A . . 107.3(3) ?
    N12 C13 N13A . . 107.3(3) ?
    N12 C13 H13 . . 126.3 ?
    N13A C13 H13 . . 126.3 ?
    C13 N13A C17A . . 108.5(2) ?
    C13 N13A C14 . . 131.1(3) ?
    C17A N13A C14 . . 120.4(3) ?
    C13 C13A N17A . . 108.5(2) ?
    C13 C13A C14 . . 131.1(3) ?
    N17A C13A C14 . . 120.4(3) ?
    C15 C14 N13A . . 118.6(3) ?
    C15 C14 C13A . . 118.6(3) ?
    C15 C14 H14 . . 120.7 ?
    N13A C14 H14 . . 120.7 ?
    C14 C15 C16 . . 121.1(3) ?
    C14 C15 H15 . . 119.5 ?
    C16 C15 H15 . . 119.5 ?
    C17 C16 C15 . . 121.4(3) ?
    C17 C16 H16 . . 119.3 ?
    C15 C16 H16 . . 119.3 ?
    C16 C17 N17A . . 118.2(3) ?
    C16 C17 C17A . . 118.2(3) ?
    C16 C17 H17 . . 120.9 ?
    C17A C17 H17 . . 120.9 ?
    C11 C17A N13A . . 106.5(2) ?
    C11 C17A C17 . . 133.2(3) ?
    N13A C17A C17 . . 120.3(3) ?
    C11 N17A C13A . . 106.5(2) ?
    C11 N17A C17 . . 133.2(3) ?
    C13A N17A C17 . . 120.3(3) ?
    N27A C21 N22 . . 106.9(3) ?
    C27A C21 N22 . . 106.9(3) ?
    C27A C21 H21 . . 126.6 ?
    N22 C21 H21 . . 126.6 ?
    C23 N22 C21 . . 110.5(3) ?
    C23 N22 C22 . . 124.4(3) ?
    C21 N22 C22 . . 125.1(3) ?
    N22 C22 H22A . . 109.5 ?
    N22 C22 H22B . . 109.5 ?
    H22A C22 H22B . . 109.5 ?
    N22 C22 H22C . . 109.5 ?
    H22A C22 H22C . . 109.5 ?
    H22B C22 H22C . . 109.5 ?
    N22 C23 C23A . . 107.4(3) ?
    N22 C23 N23A . . 107.4(3) ?
    N22 C23 H23 . . 126.3 ?
    N23A C23 H23 . . 126.3 ?
    C23 N23A C24 . . 130.1(3) ?
    C23 N23A C27A . . 108.4(3) ?
    C24 N23A C27A . . 121.5(3) ?
    C23 C23A C24 . . 130.1(3) ?
    C23 C23A N27A . . 108.4(3) ?
    C24 C23A N27A . . 121.5(3) ?
    C25 C24 N23A . . 118.1(3) ?
    C25 C24 C23A . . 118.1(3) ?
    C25 C24 H24 . . 120.9 ?
    N23A C24 H24 . . 120.9 ?
    C24 C25 C26 . . 121.3(3) ?
    C24 C25 H25 . . 119.3 ?
    C26 C25 H25 . . 119.3 ?
    C27 C26 C25 . . 121.2(3) ?
    C27 C26 H26 . . 119.4 ?
    C25 C26 H26 . . 119.4 ?
    C26 C27 N27A . . 118.9(3) ?
    C26 C27 C27A . . 118.9(3) ?
    C26 C27 H27 . . 120.5 ?
    C27A C27 H27 . . 120.5 ?
    C21 C27A N23A . . 106.9(3) ?
    C21 C27A C27 . . 134.1(3) ?
    N23A C27A C27 . . 119.0(3) ?
    C21 N27A C23A . . 106.9(3) ?
    C21 N27A C27 . . 134.1(3) ?
    C23A N27A C27 . . 119.0(3) ?
    Cl3 Cd1 Cl2 . . 109.94(9) y
    Cl3 Cd1 Cl4 . . 116.91(3) y
    Cl2 Cd1 Cl4 . . 106.67(9) y
    Cl3 Cd1 Cl1 . . 105.93(3) y
    Cl2 Cd1 Cl1 . . 112.21(9) y
    Cl4 Cd1 Cl1 . . 105.20(3) y
    Cl3 Cd1 I2 . . 109.2(2) y
    Cl2 Cd1 I2 . . 0.9(3) ?
    Cl4 Cd1 I2 . . 106.7(2) y
    Cl1 Cd1 I2 . . 113.0(2) y
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    N17A C11 N12 C13 . . . . -0.2(3) ?
    C17A C11 N12 C13 . . . . -0.2(3) ?
    N17A C11 N12 C12 . . . . 178.3(3) ?
    C17A C11 N12 C12 . . . . 178.3(3) ?
    C11 N12 C13 C13A . . . . -0.3(3) ?
    C12 N12 C13 C13A . . . . -178.7(2) ?
    C11 N12 C13 N13A . . . . -0.3(3) ?
    C12 N12 C13 N13A . . . . -178.7(2) ?
    N12 C13 N13A C17A . . . . 0.6(3) ?
    N12 C13 N13A C14 . . . . -177.6(3) ?
    N12 C13 C13A N17A . . . . 0.6(3) ?
    N12 C13 C13A C14 . . . . -177.6(3) ?
    C13 N13A C14 C15 . . . . 178.5(3) ?
    C17A N13A C14 C15 . . . . 0.4(4) ?
    C13 C13A C14 C15 . . . . 178.5(3) ?
    N17A C13A C14 C15 . . . . 0.4(4) ?
    N13A C14 C15 C16 . . . . 0.7(5) ?
    C13A C14 C15 C16 . . . . 0.7(5) ?
    C14 C15 C16 C17 . . . . -0.9(5) ?
    C15 C16 C17 N17A . . . . -0.2(5) ?
    C15 C16 C17 C17A . . . . -0.2(5) ?
    N12 C11 C17A N13A . . . . 0.5(3) ?
    N12 C11 C17A C17 . . . . 179.7(3) ?
    C13 N13A C17A C11 . . . . -0.7(3) ?
    C14 N13A C17A C11 . . . . 177.8(3) ?
    C13 N13A C17A C17 . . . . -180.0(2) ?
    C14 N13A C17A C17 . . . . -1.5(4) ?
    C16 C17 C17A C11 . . . . -177.7(3) ?
    C16 C17 C17A N13A . . . . 1.4(4) ?
    N12 C11 N17A C13A . . . . 0.5(3) ?
    N12 C11 N17A C17 . . . . 179.7(3) ?
    C13 C13A N17A C11 . . . . -0.7(3) ?
    C14 C13A N17A C11 . . . . 177.8(3) ?
    C13 C13A N17A C17 . . . . -180.0(2) ?
    C14 C13A N17A C17 . . . . -1.5(4) ?
    C16 C17 N17A C11 . . . . -177.7(3) ?
    C16 C17 N17A C13A . . . . 1.4(4) ?
    N27A C21 N22 C23 . . . . 0.5(3) ?
    C27A C21 N22 C23 . . . . 0.5(3) ?
    N27A C21 N22 C22 . . . . -178.3(3) ?
    C27A C21 N22 C22 . . . . -178.3(3) ?
    C21 N22 C23 C23A . . . . -0.7(3) ?
    C22 N22 C23 C23A . . . . 178.1(3) ?
    C21 N22 C23 N23A . . . . -0.7(3) ?
    C22 N22 C23 N23A . . . . 178.1(3) ?
    N22 C23 N23A C24 . . . . 179.8(3) ?
    N22 C23 N23A C27A . . . . 0.5(3) ?
    N22 C23 C23A C24 . . . . 179.8(3) ?
    N22 C23 C23A N27A . . . . 0.5(3) ?
    C23 N23A C24 C25 . . . . -179.5(3) ?
    C27A N23A C24 C25 . . . . -0.4(4) ?
    C23 C23A C24 C25 . . . . -179.5(3) ?
    N27A C23A C24 C25 . . . . -0.4(4) ?
    N23A C24 C25 C26 . . . . -1.0(4) ?
    C23A C24 C25 C26 . . . . -1.0(4) ?
    C24 C25 C26 C27 . . . . 1.4(5) ?
    C25 C26 C27 N27A . . . . -0.4(4) ?
    C25 C26 C27 C27A . . . . -0.4(4) ?
    N22 C21 C27A N23A . . . . -0.2(3) ?
    N22 C21 C27A C27 . . . . 178.7(3) ?
    C23 N23A C27A C21 . . . . -0.2(3) ?
    C24 N23A C27A C21 . . . . -179.6(2) ?
    C23 N23A C27A C27 . . . . -179.3(3) ?
    C24 N23A C27A C27 . . . . 1.4(4) ?
    C26 C27 C27A C21 . . . . -179.7(3) ?
    C26 C27 C27A N23A . . . . -1.0(4) ?
    N22 C21 N27A C23A . . . . -0.2(3) ?
    N22 C21 N27A C27 . . . . 178.7(3) ?
    C23 C23A N27A C21 . . . . -0.2(3) ?
    C24 C23A N27A C21 . . . . -179.6(2) ?
    C23 C23A N27A C27 . . . . -179.3(3) ?
    C24 C23A N27A C27 . . . . 1.4(4) ?
    C26 C27 N27A C21 . . . . -179.7(3) ?
    C26 C27 N27A C23A . . . . -1.0(4) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    _geom_hbond_publ_flag
    C13 H13 Cl4 . 0.95 2.77 3.597(3) 146.4 yes
    C12 H12A Cl4 2_766 0.98 2.71 3.520(3) 140.8 yes
    C12 H12C Cl2 . 0.98 2.76 3.652(5) 152.2 yes
    C11 H11 Cl1 2_665 0.95 2.64 3.412(3) 138.5 yes
    C17 H17 Cl1 2_665 0.95 2.81 3.560(3) 136.9 yes
    C21 H21 Cl3 1_465 0.95 2.78 3.623(3) 147.7 yes
    C23 H23 Cl1 1_565 0.95 2.83 3.447(3) 123.4 yes
    C24 H24 Cl3 1_565 0.95 2.68 3.568(3) 154.9 yes
    C27 H27 Cl4 2_666 0.95 2.79 3.605(3) 144.0 yes
_shelx_estimated_absorpt_T_min     0.120
_shelx_estimated_absorpt_T_max     0.591
data_global
_journal_date_recd_electronic     2021-12-31
_journal_date_accepted     2022-03-02
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2022
_journal_volume     78
_journal_issue      4
_journal_page_first     0
_journal_page_last     0
_journal_paper_category     GM
_journal_paper_doi     10.1107/S2056989022002420
_journal_coeditor_code     ZN2015
_publ_contact_author_name     'Olga Yu. Vassilyeva'
_publ_contact_author_address
;
Department of Chemistry,
Taras Shevchenko National University of Kyiv,
64/13 Volodymyrska Street,
Kyiv 01601,
Ukraine
;
_publ_contact_author_email     vassilyeva@univ.kiev.ua
_publ_contact_author_fax     '(+38) 44 2862467'
_publ_contact_author_phone     '(+38) 44 235 4371'
_publ_section_title
;
Organic--inorganic hybrid mixed-halide ZnII and CdII tetrahalometallates
with the 2-methylimidazo[1,5-a]pyridinium cation
;
_publ_section_title_footnote     .
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Vassilyeva, Olga Yu.' .
;
Department of Chemistry,
Taras Shevchenko National University of Kyiv,
64/13 Volodymyrska Street,
Kyiv 01601,
Ukraine
;
    'Buvaylo, Elena A.' .
;
Department of Chemistry,
Taras Shevchenko National University of Kyiv,
64/13 Volodymyrska Street,
Kyiv 01601,
Ukraine
;
    'Kokozay, Vladimir N.' .
;
Department of Chemistry,
Taras Shevchenko National University of Kyiv,
64/13 Volodymyrska Street,
Kyiv 01601,
Ukraine
;
    'Skelton, Brian W.' .
;
School of Molecular Sciences,
University of Western Australia (M310),
Perth, WA 6009,
.
Australia
;
_publ_section_synopsis
;
The three isomorphous hybrid salts are assembled from discrete
2-methylimidazo[1,5-a]pyridinium cations and ZnII or CdII
tetrahalometallate anions that show disorder involving partial substitution of
Br by Cl and Cl by I in the [CdBr~2.42~Cl~1.58~]²⁻⁻, [CdCl~3.90~I~0.10~]²⁻⁻
and [ZnCl~3.19~I~0.81~]²⁻⁻ anions.
;
