##############################################################################
#                                                                            #
# 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.                                        #
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##############################################################################
data_I
_database_code_depnum_ccdc_archive 'CCDC 1995114'
_audit_creation_method     'SHELXL-2018/3'
_journal_date_recd_electronic     2020-03-30
_journal_date_accepted     2020-04-06
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2020
_journal_volume     76
_journal_issue      5
_journal_page_first     656
_journal_page_last     659
_journal_paper_category     GM
_journal_paper_doi     10.1107/S2056989020004910
_journal_coeditor_code     VM2231
_publ_contact_author_name     'Jong-Ha Choi'
_publ_contact_author_address
;
Department of Chemistry, Andong National University,
Andong 36729, Republic of Korea.
;
_publ_contact_author_email     jhchoi@anu.ac.kr
_publ_contact_author_fax     '82 54 820 5452'
_publ_contact_author_phone     '+82-54-820-5458'
_publ_section_title
;\
Crystal structure of
trans-dichlorido(1,4,8,11-tetraazacyclotetradecane-κ⁴N)\
chromium(III)
bis(formamide-κO)(1,4,8,11-tetraazacyclotetradecane-κ⁴N)\
chromium(III) bis[tetrachloridozincate(II)]
;
_publ_section_title_footnote     .
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Moon, Dohyun' .
;
Beamline Department, Pohang Accelerator Laboratory, POSTECH, Pohang 37673,
 Republic of Korea
;
    'Choi, Jong-Ha' .
;
Department of Chemistry, Andong National University, Andong 36729,
Republic of Korea
;
_publ_section_synopsis
;
In the title compound,
[CrCl₂(C₁₀H₂₄N₄)][Cr(HCONH₂)₂(C₁₀H₂₄N₄)][ZnCl₄]₂, the
two CrIII ions each show a distorted octahedral coordination with four N
atoms of cyclam in the equatorial plane and two Cl⁻ anions or O-bonded
formamide groups in axial positions. The macrocyclic moieties adopt the most
stable trans-III conformation. In the crystal,  extensive
N---H\\u008943Cl and C---H\\u008943Cl hydrogen bonds connect the
[CrCl₂(C₁₀H₂₄N₄)]⁺ and [Cr(HCONH₂)₂(C₁₀H₂₄N₄)]³⁺ cations
and tetrachloridozincate anions, forming a three-dimensional network.
;
_chemical_name_systematic
;\
trans-Dichlorido(1,4,8,11-tetraazacyclotetradecane-\
κ⁴N)chromium(III) bis(formamide-κO)(1,4,8,11-\
tetraazacyclotetradecane-κ⁴N)chromium(III)
bis[tetrachloridozincate(II)]
;
_chemical_name_common     ?
_chemical_formula_moiety
                      'C10 H24 Cl2 Cr1 N4 +, C12 H30 Cr1 N6 O2 3+, 2(Cl4 Zn 2-)'
_chemical_formula_sum     'C22 H54 Cl10 Cr2 N10 O2 Zn2'
_chemical_formula_iupac
                 '[Cr Cl2 (C10 H24 N4)] [Cr (C H3 N O)2 (C10 H24 N4)] [Zn Cl4]2'
_chemical_formula_weight     1079.99
_chemical_melting_point     ?
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'P 21/n'
_space_group_name_Hall     '-P 2yn'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x-1/2, -y-1/2, z-1/2'
_cell_length_a     10.406(2)
_cell_length_b     13.212(3)
_cell_length_c     15.011(3)
_cell_angle_alpha     90
_cell_angle_beta     95.85(3)
_cell_angle_gamma     90
_cell_volume     2053.0(7)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     71380
_cell_measurement_theta_min     0.350
_cell_measurement_theta_max     33.679
_cell_measurement_temperature     220(2)
_exptl_crystal_description     'plate'
_exptl_crystal_colour     'purple'
_exptl_crystal_size_max     0.125
_exptl_crystal_size_mid     0.109
_exptl_crystal_size_min     0.075
_exptl_crystal_density_diffrn     1.747
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     1100
_exptl_absorpt_coefficient_mu     1.534
_exptl_absorpt_correction_type     empirical
_exptl_absorpt_process_details
;
(HKL3000sm Scalepack; Otwinowski & Minor, 1997)
;
_exptl_absorpt_correction_T_min     0.856
_exptl_absorpt_correction_T_max     1.000
_diffrn_ambient_temperature     220(2)
_diffrn_source     'PLSII 2D bending magnet'
_diffrn_radiation_type     synchrotron
_diffrn_radiation_wavelength     0.610
_diffrn_measurement_device_type     'Rayonix MX225HS CCD area detector'
_diffrn_measurement_method     'omega scan'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     20797
_diffrn_reflns_av_R_equivalents     0.0652
_diffrn_reflns_av_unetI/netI     0.0399
_diffrn_reflns_theta_min     1.766
_diffrn_reflns_theta_max     24.999
_diffrn_reflns_theta_full     21.469
_diffrn_measured_fraction_theta_max     1.000
_diffrn_measured_fraction_theta_full     1.000
_diffrn_reflns_limit_h_min     -14
_diffrn_reflns_limit_h_max     14
_diffrn_reflns_limit_k_min     -18
_diffrn_reflns_limit_k_max     18
_diffrn_reflns_limit_l_min     -20
_diffrn_reflns_limit_l_max     20
_refine_special_details     ?
_reflns_number_total     5718
_reflns_number_gt     5424
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0430
_refine_ls_R_factor_gt     0.0418
_refine_ls_wR_factor_gt     0.1194
_refine_ls_wR_factor_ref     0.1204
_refine_ls_goodness_of_fit_ref     1.083
_refine_ls_restrained_S_all     1.083
_refine_ls_number_reflns     5718
_refine_ls_number_parameters     220
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0579P)²+2.3444P] 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     1.024
_refine_diff_density_min     -1.048
_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' 0.0019 0.0011
                         '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' 0.0040 0.0024
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0074 0.0043
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cl' 'Cl' 0.1166 0.1176
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cr' 'Cr' 0.2796 0.4720
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Zn' 'Zn' 0.3295 1.0965
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
PAL BL2D-SMDC (Shin et al., 2016)
;
_computing_cell_refinement
;
HKL3000sm (Otwinowski & Minor, 1997)
;
_computing_data_reduction
;
HKL3000sm (Otwinowski & Minor, 1997)
;
_computing_structure_solution
;
SHELXT2018 (Sheldrick, 2015a)
;
_computing_structure_refinement
;
SHELXL2018 (Sheldrick, 2015b)
;
_computing_molecular_graphics
;
DIAMOND 4 (Putz & Brandenburg, 2014)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
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
    Cr Cr1 0.500000 0.500000 0.500000 0.01905(11) Uani d 1 . .
    O O1 0.40779(18) 0.59415(14) 0.57570(12) 0.0304(4) Uani d 1 . .
    N N1 0.6599(2) 0.50926(16) 0.59314(13) 0.0263(4) Uani d 1 . .
    H H1 0.733309 0.478812 0.565654 0.032 Uiso calc 1 . .
    N N2 0.5477(2) 0.62362(15) 0.42632(14) 0.0270(4) Uani d 1 . .
    H H2 0.612781 0.600675 0.387054 0.032 Uiso calc 1 . .
    N N3 0.2731(3) 0.6910(2) 0.64216(15) 0.0381(5) Uani d 1 . .
    H H3AN 0.332356 0.736628 0.655071 0.046 Uiso calc 1 . .
    H H3BN 0.195781 0.699839 0.657996 0.046 Uiso calc 1 . .
    C C1 0.6336(3) 0.4436(2) 0.66990(16) 0.0335(5) Uani d 1 . .
    H H1A 0.576230 0.478762 0.707614 0.040 Uiso calc 1 . .
    H H1AB 0.714487 0.427910 0.706529 0.040 Uiso calc 1 . .
    C C2 0.6985(3) 0.6141(2) 0.62080(19) 0.0352(6) Uani d 1 . .
    H H2A 0.776779 0.611563 0.662933 0.042 Uiso calc 1 . .
    H H2AB 0.629729 0.645040 0.651654 0.042 Uiso calc 1 . .
    C C3 0.7237(3) 0.6793(2) 0.5405(2) 0.0399(6) Uani d 1 . .
    H H3A 0.768805 0.740799 0.562773 0.048 Uiso calc 1 . .
    H H3AB 0.781941 0.642161 0.504919 0.048 Uiso calc 1 . .
    C C4 0.6046(3) 0.7105(2) 0.4789(2) 0.0362(6) Uani d 1 . .
    H H4A 0.539889 0.738832 0.514956 0.043 Uiso calc 1 . .
    H H4AB 0.628599 0.763302 0.437894 0.043 Uiso calc 1 . .
    C C5 0.4294(3) 0.6526(2) 0.36674(17) 0.0343(5) Uani d 1 . .
    H H5A 0.452908 0.695465 0.317621 0.041 Uiso calc 1 . .
    H H5AB 0.369790 0.690444 0.400752 0.041 Uiso calc 1 . .
    C C6 0.3001(3) 0.60960(19) 0.59923(15) 0.0280(5) Uani d 1 . .
    H H6 0.235060 0.561016 0.585794 0.034 Uiso calc 1 . .
    Cr Cr2 0.500000 0.500000 0.000000 0.02063(12) Uani d 1 . .
    Cl Cl1 0.53785(6) 0.37596(5) -0.10350(4) 0.03271(14) Uani d 1 . .
    N N4 0.3223(2) 0.52342(16) -0.07214(13) 0.0249(4) Uani d 1 . .
    H H4 0.312441 0.470207 -0.118767 0.030 Uiso calc 1 . .
    N N5 0.4335(2) 0.38790(16) 0.08048(13) 0.0259(4) Uani d 1 . .
    H H5 0.431725 0.324363 0.045410 0.031 Uiso calc 1 . .
    C C7 0.3340(2) 0.62148(19) -0.11970(16) 0.0289(5) Uani d 1 . .
    H H7A 0.326491 0.677919 -0.078176 0.035 Uiso calc 1 . .
    H H7AB 0.264587 0.627579 -0.168695 0.035 Uiso calc 1 . .
    C C8 0.2067(2) 0.5165(2) -0.02153(17) 0.0307(5) Uani d 1 . .
    H H8A 0.128505 0.524049 -0.063273 0.037 Uiso calc 1 . .
    H H8AB 0.208634 0.572239 0.021703 0.037 Uiso calc 1 . .
    C C9 0.2009(3) 0.4161(2) 0.02812(19) 0.0342(5) Uani d 1 . .
    H H9A 0.210352 0.361121 -0.014533 0.041 Uiso calc 1 . .
    H H9AB 0.114986 0.409655 0.048899 0.041 Uiso calc 1 . .
    C C10 0.3022(3) 0.4014(2) 0.10863(17) 0.0319(5) Uani d 1 . .
    H H10A 0.301640 0.460400 0.148121 0.038 Uiso calc 1 . .
    H H10B 0.279482 0.341775 0.142624 0.038 Uiso calc 1 . .
    C C11 0.5356(3) 0.3751(2) 0.15662(16) 0.0297(5) Uani d 1 . .
    H H11A 0.524570 0.310127 0.186461 0.036 Uiso calc 1 . .
    H H11B 0.529597 0.429393 0.200469 0.036 Uiso calc 1 . .
    Zn Zn1 0.96538(3) 0.56371(2) 0.28510(2) 0.02620(9) Uani d 1 . .
    Cl Cl2 0.98118(7) 0.39522(5) 0.26256(6) 0.04267(17) Uani d 1 . .
    Cl Cl3 0.74908(6) 0.60423(6) 0.27489(4) 0.03418(15) Uani d 1 . .
    Cl Cl4 1.06521(7) 0.61932(6) 0.41833(4) 0.03892(16) Uani d 1 . .
    Cl Cl5 1.04313(8) 0.64946(6) 0.17226(5) 0.04333(17) 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
    Cr1 O1 . 1.9953(19) ?
    Cr1 O1 3_666 1.9954(19) ?
    Cr1 N2 . 2.061(2) ?
    Cr1 N2 3_666 2.061(2) ?
    Cr1 N1 3_666 2.065(2) ?
    Cr1 N1 . 2.065(2) ?
    O1 C6 . 1.226(3) ?
    N1 C1 . 1.489(3) ?
    N1 C2 . 1.490(3) ?
    N1 H1 . 0.9900 ?
    N2 C4 . 1.482(3) ?
    N2 C5 . 1.495(3) ?
    N2 H2 . 0.9900 ?
    N3 C6 . 1.299(3) ?
    N3 H3AN . 0.8700 ?
    N3 H3BN . 0.8700 ?
    C1 C5 3_666 1.509(4) ?
    C1 H1A . 0.9800 ?
    C1 H1AB . 0.9800 ?
    C2 C3 . 1.525(4) ?
    C2 H2A . 0.9800 ?
    C2 H2AB . 0.9800 ?
    C3 C4 . 1.525(4) ?
    C3 H3A . 0.9800 ?
    C3 H3AB . 0.9800 ?
    C4 H4A . 0.9800 ?
    C4 H4AB . 0.9800 ?
    C5 H5A . 0.9800 ?
    C5 H5AB . 0.9800 ?
    C6 H6 . 0.9400 ?
    Cr2 N4 . 2.069(2) ?
    Cr2 N4 3_665 2.069(2) ?
    Cr2 N5 3_665 2.074(2) ?
    Cr2 N5 . 2.074(2) ?
    Cr2 Cl1 . 2.3194(7) ?
    Cr2 Cl1 3_665 2.3194(7) ?
    N4 C8 . 1.490(3) ?
    N4 C7 . 1.490(3) ?
    N4 H4 . 0.9900 ?
    N5 C10 . 1.482(3) ?
    N5 C11 . 1.488(3) ?
    N5 H5 . 0.9900 ?
    C7 C11 3_665 1.519(4) ?
    C7 H7A . 0.9800 ?
    C7 H7AB . 0.9800 ?
    C8 C9 . 1.526(4) ?
    C8 H8A . 0.9800 ?
    C8 H8AB . 0.9800 ?
    C9 C10 . 1.533(4) ?
    C9 H9A . 0.9800 ?
    C9 H9AB . 0.9800 ?
    C10 H10A . 0.9800 ?
    C10 H10B . 0.9800 ?
    C11 H11A . 0.9800 ?
    C11 H11B . 0.9800 ?
    Zn1 Cl5 . 2.2555(8) ?
    Zn1 Cl2 . 2.2602(9) ?
    Zn1 Cl4 . 2.2792(9) ?
    Zn1 Cl3 . 2.3035(8) ?
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
    O1 Cr1 O1 . 3_666 180.0 ?
    O1 Cr1 N2 . . 88.14(8) ?
    O1 Cr1 N2 3_666 . 91.86(8) ?
    O1 Cr1 N2 . 3_666 91.86(8) ?
    O1 Cr1 N2 3_666 3_666 88.14(8) ?
    N2 Cr1 N2 . 3_666 180.00(7) ?
    O1 Cr1 N1 . 3_666 91.23(8) ?
    O1 Cr1 N1 3_666 3_666 88.77(8) ?
    N2 Cr1 N1 . 3_666 84.54(9) ?
    N2 Cr1 N1 3_666 3_666 95.46(9) ?
    O1 Cr1 N1 . . 88.77(8) ?
    O1 Cr1 N1 3_666 . 91.23(8) ?
    N2 Cr1 N1 . . 95.45(9) ?
    N2 Cr1 N1 3_666 . 84.54(9) ?
    N1 Cr1 N1 3_666 . 180.0 ?
    C6 O1 Cr1 . . 140.79(18) ?
    C1 N1 C2 . . 113.0(2) ?
    C1 N1 Cr1 . . 106.88(16) ?
    C2 N1 Cr1 . . 114.80(16) ?
    C1 N1 H1 . . 107.3 ?
    C2 N1 H1 . . 107.3 ?
    Cr1 N1 H1 . . 107.3 ?
    C4 N2 C5 . . 112.3(2) ?
    C4 N2 Cr1 . . 115.64(16) ?
    C5 N2 Cr1 . . 107.20(15) ?
    C4 N2 H2 . . 107.1 ?
    C5 N2 H2 . . 107.1 ?
    Cr1 N2 H2 . . 107.1 ?
    C6 N3 H3AN . . 120.0 ?
    C6 N3 H3BN . . 120.0 ?
    H3AN N3 H3BN . . 120.0 ?
    N1 C1 C5 . 3_666 108.4(2) ?
    N1 C1 H1A . . 110.0 ?
    C5 C1 H1A 3_666 . 110.0 ?
    N1 C1 H1AB . . 110.0 ?
    C5 C1 H1AB 3_666 . 110.0 ?
    H1A C1 H1AB . . 108.4 ?
    N1 C2 C3 . . 111.6(2) ?
    N1 C2 H2A . . 109.3 ?
    C3 C2 H2A . . 109.3 ?
    N1 C2 H2AB . . 109.3 ?
    C3 C2 H2AB . . 109.3 ?
    H2A C2 H2AB . . 108.0 ?
    C4 C3 C2 . . 115.9(2) ?
    C4 C3 H3A . . 108.3 ?
    C2 C3 H3A . . 108.3 ?
    C4 C3 H3AB . . 108.3 ?
    C2 C3 H3AB . . 108.3 ?
    H3A C3 H3AB . . 107.4 ?
    N2 C4 C3 . . 111.7(2) ?
    N2 C4 H4A . . 109.3 ?
    C3 C4 H4A . . 109.3 ?
    N2 C4 H4AB . . 109.3 ?
    C3 C4 H4AB . . 109.3 ?
    H4A C4 H4AB . . 107.9 ?
    N2 C5 C1 . 3_666 107.6(2) ?
    N2 C5 H5A . . 110.2 ?
    C1 C5 H5A 3_666 . 110.2 ?
    N2 C5 H5AB . . 110.2 ?
    C1 C5 H5AB 3_666 . 110.2 ?
    H5A C5 H5AB . . 108.5 ?
    O1 C6 N3 . . 122.1(3) ?
    O1 C6 H6 . . 118.9 ?
    N3 C6 H6 . . 118.9 ?
    N4 Cr2 N4 . 3_665 180.0 ?
    N4 Cr2 N5 . 3_665 85.50(8) ?
    N4 Cr2 N5 3_665 3_665 94.49(8) ?
    N4 Cr2 N5 . . 94.49(8) ?
    N4 Cr2 N5 3_665 . 85.51(8) ?
    N5 Cr2 N5 3_665 . 180.0 ?
    N4 Cr2 Cl1 . . 87.64(6) ?
    N4 Cr2 Cl1 3_665 . 92.36(6) ?
    N5 Cr2 Cl1 3_665 . 91.43(6) ?
    N5 Cr2 Cl1 . . 88.57(6) ?
    N4 Cr2 Cl1 . 3_665 92.36(6) ?
    N4 Cr2 Cl1 3_665 3_665 87.64(6) ?
    N5 Cr2 Cl1 3_665 3_665 88.57(6) ?
    N5 Cr2 Cl1 . 3_665 91.43(6) ?
    Cl1 Cr2 Cl1 . 3_665 180.0 ?
    C8 N4 C7 . . 114.01(19) ?
    C8 N4 Cr2 . . 116.69(15) ?
    C7 N4 Cr2 . . 105.58(15) ?
    C8 N4 H4 . . 106.6 ?
    C7 N4 H4 . . 106.6 ?
    Cr2 N4 H4 . . 106.6 ?
    C10 N5 C11 . . 113.65(19) ?
    C10 N5 Cr2 . . 116.90(16) ?
    C11 N5 Cr2 . . 105.93(15) ?
    C10 N5 H5 . . 106.6 ?
    C11 N5 H5 . . 106.6 ?
    Cr2 N5 H5 . . 106.6 ?
    N4 C7 C11 . 3_665 108.69(19) ?
    N4 C7 H7A . . 110.0 ?
    C11 C7 H7A 3_665 . 110.0 ?
    N4 C7 H7AB . . 110.0 ?
    C11 C7 H7AB 3_665 . 110.0 ?
    H7A C7 H7AB . . 108.3 ?
    N4 C8 C9 . . 112.1(2) ?
    N4 C8 H8A . . 109.2 ?
    C9 C8 H8A . . 109.2 ?
    N4 C8 H8AB . . 109.2 ?
    C9 C8 H8AB . . 109.2 ?
    H8A C8 H8AB . . 107.9 ?
    C8 C9 C10 . . 115.9(2) ?
    C8 C9 H9A . . 108.3 ?
    C10 C9 H9A . . 108.3 ?
    C8 C9 H9AB . . 108.3 ?
    C10 C9 H9AB . . 108.3 ?
    H9A C9 H9AB . . 107.4 ?
    N5 C10 C9 . . 111.7(2) ?
    N5 C10 H10A . . 109.3 ?
    C9 C10 H10A . . 109.3 ?
    N5 C10 H10B . . 109.3 ?
    C9 C10 H10B . . 109.3 ?
    H10A C10 H10B . . 107.9 ?
    N5 C11 C7 . 3_665 108.09(19) ?
    N5 C11 H11A . . 110.1 ?
    C7 C11 H11A 3_665 . 110.1 ?
    N5 C11 H11B . . 110.1 ?
    C7 C11 H11B 3_665 . 110.1 ?
    H11A C11 H11B . . 108.4 ?
    Cl5 Zn1 Cl2 . . 110.19(3) ?
    Cl5 Zn1 Cl4 . . 109.31(3) ?
    Cl2 Zn1 Cl4 . . 114.54(3) ?
    Cl5 Zn1 Cl3 . . 104.84(4) ?
    Cl2 Zn1 Cl3 . . 107.73(3) ?
    Cl4 Zn1 Cl3 . . 109.78(4) ?
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
    C2 N1 C1 C5 . . . 3_666 168.9(2) ?
    Cr1 N1 C1 C5 . . . 3_666 41.6(2) ?
    C1 N1 C2 C3 . . . . -179.6(2) ?
    Cr1 N1 C2 C3 . . . . -56.6(3) ?
    N1 C2 C3 C4 . . . . 72.1(3) ?
    C5 N2 C4 C3 . . . . 179.0(2) ?
    Cr1 N2 C4 C3 . . . . 55.5(3) ?
    C2 C3 C4 N2 . . . . -71.2(3) ?
    C4 N2 C5 C1 . . . 3_666 -169.7(2) ?
    Cr1 N2 C5 C1 . . . 3_666 -41.6(2) ?
    Cr1 O1 C6 N3 . . . . -170.2(2) ?
    C8 N4 C7 C11 . . . 3_665 171.66(19) ?
    Cr2 N4 C7 C11 . . . 3_665 42.3(2) ?
    C7 N4 C8 C9 . . . . -178.4(2) ?
    Cr2 N4 C8 C9 . . . . -54.8(2) ?
    N4 C8 C9 C10 . . . . 70.3(3) ?
    C11 N5 C10 C9 . . . . 179.0(2) ?
    Cr2 N5 C10 C9 . . . . 55.1(3) ?
    C8 C9 C10 N5 . . . . -70.4(3) ?
    C10 N5 C11 C7 . . . 3_665 -171.3(2) ?
    Cr2 N5 C11 C7 . . . 3_665 -41.7(2) ?
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
    N1 H1 Cl4 3_766 0.99 2.46 3.346(2) 149 yes
    N2 H2 Cl3 . 0.99 2.31 3.255(2) 159 yes
    N3 H3AN Cl5 4_576 0.87 2.65 3.505(3) 167 yes
    N3 H3BN Cl2 3_666 0.87 2.61 3.334(3) 141 yes
    C2 H2A Cl2 3_766 0.98 2.65 3.606(3) 165 yes
    N4 H4 Cl3 3_665 0.99 2.56 3.493(2) 157 yes
    N5 H5 Cl4 2_645 0.99 2.76 3.549(2) 137 yes
    C3 H3A Cl1 2_655 0.98 2.71 3.650(3) 160 yes
    C4 H4A Cl5 4_576 0.98 2.78 3.555(3) 136 yes
    C7 H7AB Cl2 3_665 0.98 2.81 3.738(3) 159 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     0.831
_shelx_estimated_absorpt_T_max     0.894
