##############################################################################
#                                                                            #
# This CIF contains the data for a data article accepted for                 #
# publication in IUCrData. It conforms to the requirements of                #
# Notes for Authors for IUCrData, and has been                               #
# peer reviewed under the auspices of IUCrData.                              #
#                                                                            #
# 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 data    # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_I
_audit_creation_method
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_journal_date_recd_electronic     2024-03-28
_journal_date_accepted     2024-04-17
_journal_name_full     'IUCrData'
_journal_year     2024
_journal_volume     9
_journal_issue      4
_journal_page_first     0
_journal_page_last     0
_journal_paper_category     HM
_journal_paper_doi     10.1107/S2414314624003444
_journal_coeditor_code     ZL4071
_publ_contact_author_name     'Guy Crundwell'
_publ_contact_author_address
;
Central Connecticut State University
Department of Chemistry & Biochemistry
1619 Stanley Street
New Britain
CT 06053
USA
;
_publ_contact_author_email     crundwellg@ccsu.edu
_publ_contact_author_fax     '860-832-2704'
_publ_contact_author_phone     '860-832-2682'
_publ_section_title
;
Bis[2,3-bis(thiophen-2-yl)pyrido[3,4-b]pyrazine]silver(I) perchlorate
methanol disolvate
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Crundwell, Guy' .
;
Central Connecticut State University
Department of Chemistry & Biochemistry
1619 Stanley Street
New Britain
CT 06053
USA
;
    'Christiana, Rachel A.' .
;
Central Connecticut State University
Department of Chemistry & Biochemistry
1619 Stanley Street
New Britain
CT 06053
USA
;
    'Ouellette, Paul' .
;
Central Connecticut State University
Department of Chemistry & Biochemistry
1619 Stanley Street
New Britain
CT 06053
USA
;
    'Giorgetti, Andrew F.' .
;
Central Connecticut State University
Department of Chemistry & Biochemistry
1619 Stanley Street
New Britain
CT 06053
USA
;
_publ_section_synopsis
;
The structure of
bis[2,3-bis(thiophen-2-yl)pyrido[3,4-b]pyrazine]silver(I) perchlorate
methanol disolvate is monoclinic. The Ag atom coordinates pyrido N atoms and
is two-coordinate; however, the Ag atom has nearby O atoms that can be assumed
to be weakly bonding -- one from the perchlorate anion and one from the
methanol solvate. One of the thienyl groups of a
2,3-bis(thiophen-2-yl)pyrido[3,4-b]pyrazine is flipped disordered and
was refined to occupancies of 68.4(6) and 31.6(6)%.
;
_chemical_name_systematic
;
Bis[2,3-bis(thiophen-2-yl)pyrido[3,4-b]pyrazine]silver(I)
perchlorate methanol disolvate
;
_chemical_name_common
;
;
_chemical_formula_moiety     'C30 H18 Ag N6 S4 +, Cl O4 -, 2(C H4 O)'
_chemical_formula_sum     'C32 H26 Ag Cl N6 O6 S4'
_chemical_formula_iupac     '[Ag (C15 H9 N3 S2)2] Cl O4, 2C H4 O'
_chemical_formula_weight     862.15
_chemical_melting_point     ?
_chemical_absolute_configuration     ad
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'P 1 21 1'
_space_group_name_Hall     'P 2yb'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, y+1/2, -z'
_cell_length_a     8.3455(3)
_cell_length_b     19.2331(6)
_cell_length_c     11.0134(3)
_cell_angle_alpha     90
_cell_angle_beta     102.491(3)
_cell_angle_gamma     90
_cell_volume     1725.93(10)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     10547
_cell_measurement_theta_min     3.1230
_cell_measurement_theta_max     31.7520
_cell_measurement_temperature     293(2)
_exptl_crystal_description     plate
_exptl_crystal_colour     yellow
_exptl_crystal_size_max     0.38
_exptl_crystal_size_mid     0.37
_exptl_crystal_size_min     0.11
_exptl_crystal_density_diffrn     1.659
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     872
_exptl_absorpt_coefficient_mu     0.957
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Rigaku OD, 2019)
;
_exptl_absorpt_correction_T_min     0.85060
_exptl_absorpt_correction_T_max     1.00000
_diffrn_ambient_temperature     293(2)
_diffrn_source     'fine-focus sealed X-ray tube'
_diffrn_radiation_type     'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Xcalibur Sapphire3'
_diffrn_measurement_device     'four-circle diffractometer'
_diffrn_measurement_method     'ω scans'
_diffrn_detector     'CCD plate'
_diffrn_detector_area_resol_mean     16.1790
_diffrn_reflns_number     45050
_diffrn_reflns_av_R_equivalents     0.0386
_diffrn_reflns_av_unetI/netI     0.0391
_diffrn_reflns_theta_min     2.985
_diffrn_reflns_theta_max     33.675
_diffrn_reflns_theta_full     25.242
_diffrn_measured_fraction_theta_max     0.940
_diffrn_measured_fraction_theta_full     0.998
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -29
_diffrn_reflns_limit_k_max     29
_diffrn_reflns_limit_l_min     -16
_diffrn_reflns_limit_l_max     16
_diffrn_radiation_probe     x-ray
_refine_special_details
;
H atoms on sp² and sp³ C atom were placed at
calculated positions with C---H distances of 0.93 and 0.96 Å and were
included in the refinement in riding-motion approximation, with
Uiso(H) = 1.2Ueq or 1.5Ueq of the carrier atom,
respectively. Hydroxy-group H atoms were also placed at calculated positions
with an O---H distance of 0.82 Å and were included in the refinement in
riding-motion approximation, with 1.5Ueq of the carrier atom.
;
_reflns_number_total     12591
_reflns_number_gt     8576
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0739
_refine_ls_R_factor_gt     0.0408
_refine_ls_wR_factor_gt     0.0821
_refine_ls_wR_factor_ref     0.0951
_refine_ls_goodness_of_fit_ref     1.014
_refine_ls_restrained_S_all     1.011
_refine_ls_number_reflns     12591
_refine_ls_number_parameters     495
_refine_ls_number_restraints     185
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0407P)²+0.1482P] 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     0.446
_refine_diff_density_min     -0.278
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     .
_refine_ls_abs_structure_details
;
Flack x determined using 3323 quotients
[(I⁺)-(I⁻)]/[(I⁺)+(I⁻)]
(Parsons et al.,  2013)
;
_refine_ls_abs_structure_Flack     -0.044(8)
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'
    'Ag' 'Ag' -0.8971 1.1015
                         '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'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'S' 'S' 0.1246 0.1234
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
CrysAlis PRO (Rigaku OD, 2019)
;
_computing_cell_refinement
;
CrysAlis PRO (Rigaku OD, 2019)
;
_computing_data_reduction
;
CrysAlis PRO (Rigaku OD, 2019)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2015b)
;
_computing_structure_refinement
;
SHELXL2019 (Sheldrick, 2015a)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al.,  2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov et al.,  2009)
;
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
    Ag Ag1 0.70442(4) 0.12456(2) 0.38256(3) 0.05936(11) Uani d 1 . .
    N N1 0.4283(4) 0.14950(16) 0.8719(3) 0.0373(6) Uani d 1 . .
    N N2 0.5361(4) 0.02155(15) 0.7974(3) 0.0397(7) Uani d 1 . .
    N N3 0.6104(4) 0.1316(2) 0.5510(2) 0.0421(7) Uani d 1 . .
    N N4 0.9634(4) 0.07609(16) -0.1102(3) 0.0383(7) Uani d 1 . .
    N N5 0.8781(4) 0.20922(16) -0.0416(3) 0.0405(7) Uani d 1 . .
    N N6 0.7905(4) 0.10874(17) 0.2114(3) 0.0455(8) Uani d 1 . .
    C C1 0.4227(4) 0.09252(19) 0.9368(3) 0.0345(7) Uani d 1 . .
    C C2 0.4642(4) 0.02578(18) 0.8917(3) 0.0350(7) Uani d 1 . .
    C C3 0.5467(4) 0.08089(19) 0.7322(3) 0.0356(7) Uani d 1 . .
    C C4 0.6119(5) 0.0784(2) 0.6252(3) 0.0409(8) Uani d 1 . .
    H H4 0.658463 0.037029 0.606024 0.049 Uiso calc 1 . .
    C C5 0.5462(6) 0.1931(2) 0.5815(4) 0.0486(10) Uani d 1 . .
    H H5 0.545322 0.231182 0.529383 0.058 Uiso calc 1 . .
    C C6 0.4834(6) 0.2006(2) 0.6851(4) 0.0484(10) Uani d 1 . .
    H H6 0.440309 0.243127 0.702726 0.058 Uiso calc 1 . .
    C C7 0.4843(5) 0.14404(17) 0.7647(3) 0.0352(7) Uani d 1 . .
    C C8 0.3768(4) 0.10390(18) 1.0565(3) 0.0360(8) Uani d 1 . .
    C C9 0.3805(5) 0.0610(2) 1.1561(4) 0.0465(9) Uani d 1 . .
    H H9 0.409226 0.014285 1.157075 0.056 Uiso calc 1 . .
    C C10 0.3359(6) 0.0953(3) 1.2574(4) 0.0538(11) Uani d 1 . .
    H H10 0.332455 0.073679 1.332314 0.065 Uiso calc 1 . .
    C C11 0.2991(7) 0.1626(3) 1.2335(4) 0.0579(12) Uani d 1 . .
    H H11 0.266068 0.192752 1.289439 0.070 Uiso calc 1 . .
    S S1 0.32009(16) 0.18639(6) 1.08882(10) 0.0512(3) Uani d 1 . .
    C C12 0.4263(5) -0.04052(19) 0.9440(3) 0.0415(8) Uani d 1 . .
    C C13 0.2780(6) -0.0623(2) 0.9634(4) 0.0476(9) Uani d 1 . .
    H H13 0.185986 -0.033838 0.953629 0.057 Uiso calc 1 . .
    C C14 0.2801(7) -0.1323(2) 0.9996(4) 0.0577(12) Uani d 1 . .
    H H14 0.189238 -0.155270 1.016382 0.069 Uiso calc 1 . .
    C C15 0.4267(7) -0.1627(2) 1.0074(5) 0.0631(13) Uani d 1 . .
    H H15 0.449611 -0.208621 1.031537 0.076 Uiso calc 1 . .
    S S2 0.56527(17) -0.10719(6) 0.96782(13) 0.0613(3) Uani d 1 . .
    C C16 0.9753(4) 0.1309(2) -0.1800(3) 0.0331(6) Uani d 1 . .
    C C17 0.9372(4) 0.19958(18) -0.1415(3) 0.0349(7) Uani d 1 . .
    C C18 0.8609(5) 0.15199(19) 0.0273(3) 0.0359(8) Uani d 1 . .
    C C19 0.8032(5) 0.1610(2) 0.1367(4) 0.0447(9) Uani d 1 . .
    H H19 0.773010 0.205273 0.157263 0.054 Uiso calc 1 . .
    C C20 0.8349(6) 0.0447(2) 0.1796(4) 0.0532(11) Uani d 1 . .
    H H20 0.824813 0.007681 0.231893 0.064 Uiso calc 1 . .
    C C21 0.8936(6) 0.0311(2) 0.0755(4) 0.0503(10) Uani d 1 . .
    H H21 0.923412 -0.013854 0.058245 0.060 Uiso calc 1 . .
    C C22 0.9079(5) 0.0861(2) -0.0047(3) 0.0369(7) Uani d 1 . .
    C C23 1.0254(4) 0.1167(2) -0.2965(3) 0.0367(7) Uani d 1 . .
    C C24 1.0302(5) 0.1588(2) -0.3989(3) 0.0448(9) Uani d 1 . .
    H H24 1.002324 0.205685 -0.404821 0.054 Uiso calc 1 . .
    C C25 1.0833(5) 0.1202(3) -0.4929(4) 0.0587(11) Uani d 1 . .
    H H25 1.092595 0.139355 -0.568554 0.070 Uiso calc 1 . .
    C C26 1.1189(7) 0.0532(3) -0.4622(4) 0.0639(13) Uani d 1 . .
    H H26 1.157432 0.021711 -0.513264 0.077 Uiso calc 1 . .
    S S3 1.08557(18) 0.03321(6) -0.32037(11) 0.0599(3) Uani d 1 . .
    C C27 0.9611(16) 0.2629(6) -0.2120(14) 0.0367(17) Uani d 0.684(6) A 1
    C C28 0.842(2) 0.3113(12) -0.258(2) 0.049(3) Uani d 0.684(6) A 1
    H H28 0.731684 0.307225 -0.255469 0.058 Uiso calc 0.684(6) A 1
    C C29 0.9107(12) 0.3688(6) -0.3118(12) 0.062(2) Uani d 0.684(6) A 1
    H H29 0.847376 0.404312 -0.355070 0.074 Uiso calc 0.684(6) A 1
    C C30 1.0712(13) 0.3668(5) -0.2944(10) 0.061(3) Uani d 0.684(6) A 1
    H H30 1.133736 0.401005 -0.321978 0.073 Uiso calc 0.684(6) A 1
    S S4 1.1517(4) 0.2942(2) -0.2149(3) 0.0632(9) Uani d 0.684(6) A 1
    C C27B 0.976(3) 0.2650(14) -0.194(3) 0.0367(17) Uani d 0.316(6) A 2
    C C28B 1.132(3) 0.2911(15) -0.184(2) 0.051(5) Uani d 0.316(6) A 2
    H H28B 1.227018 0.272075 -0.135305 0.061 Uiso calc 0.316(6) A 2
    C C29B 1.124(2) 0.3524(11) -0.259(2) 0.059(5) Uani d 0.316(6) A 2
    H H29B 1.217078 0.376431 -0.269730 0.071 Uiso calc 0.316(6) A 2
    C C30B 0.975(2) 0.3713(13) -0.311(3) 0.064(6) Uani d 0.316(6) A 2
    H H30B 0.949664 0.411530 -0.358317 0.076 Uiso calc 0.316(6) A 2
    S S4B 0.8309(15) 0.3144(8) -0.2838(14) 0.062(3) Uani d 0.316(6) A 2
    Cl Cl1 0.56109(14) -0.07882(6) 0.41362(11) 0.0552(3) Uani d 1 . .
    O O1 0.6944(5) -0.0331(2) 0.4288(5) 0.0981(16) Uani d 1 . .
    O O2 0.5177(8) -0.0979(4) 0.2865(5) 0.131(2) Uani d 1 . .
    O O3 0.6003(7) -0.1420(3) 0.4721(6) 0.1162(17) Uani d 1 . .
    O O4 0.4275(5) -0.0473(2) 0.4526(5) 0.0983(15) Uani d 1 . .
    O O6 0.7948(6) 0.2632(2) 0.3707(5) 0.0914(13) Uani d 1 . .
    H H6A 0.887327 0.273455 0.362682 0.137 Uiso calc 1 . .
    C C32 0.6934(10) 0.3214(4) 0.3467(7) 0.107(2) Uani d 1 . .
    H H32A 0.732501 0.351764 0.290270 0.161 Uiso calc 1 . .
    H H32B 0.694406 0.345596 0.423134 0.161 Uiso calc 1 . .
    H H32C 0.583375 0.306980 0.310247 0.161 Uiso calc 1 . .
    O O5 1.1150(7) 0.3021(3) 0.3591(5) 0.1150(17) Uani d 1 . .
    H H5A 1.178122 0.318490 0.419943 0.172 Uiso calc 1 . .
    C C31 1.1213(12) 0.3419(6) 0.2541(10) 0.133(3) Uani d 1 . .
    H H31A 1.075958 0.315668 0.180458 0.200 Uiso calc 1 . .
    H H31B 1.233285 0.353542 0.254607 0.200 Uiso calc 1 . .
    H H31C 1.058898 0.383737 0.254938 0.200 Uiso calc 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
    Ag1 N3 . 2.170(3) yes
    Ag1 N6 . 2.179(3) yes
    Ag1 O1 . 3.079(5)   yes
    Ag1 O6 . 2.782(4)   yes
    N1 C1 . 1.315(4) no
    N1 C7 . 1.365(4) no
    N2 C2 . 1.309(4) no
    N2 C3 . 1.362(4) no
    N3 C4 . 1.308(5) no
    N3 C5 . 1.369(6) no
    N4 C16 . 1.321(5) no
    N4 C22 . 1.354(5) no
    N5 C17 . 1.313(4) no
    N5 C18 . 1.361(5) no
    N6 C19 . 1.317(5) no
    N6 C20 . 1.354(5) no
    C1 C2 . 1.445(5) no
    C1 C8 . 1.467(5) no
    C2 C12 . 1.462(5) no
    C3 C4 . 1.402(5) no
    C3 C7 . 1.398(5) no
    C4 H4 . 0.9300 no
    C5 H5 . 0.9300 no
    C5 C6 . 1.363(5) no
    C6 H6 . 0.9300 no
    C6 C7 . 1.396(5) no
    C8 C9 . 1.367(5) no
    C8 S1 . 1.715(4) no
    C9 H9 . 0.9300 no
    C9 C10 . 1.413(6) no
    C10 H10 . 0.9300 no
    C10 C11 . 1.344(7) no
    C11 H11 . 0.9300 no
    C11 S1 . 1.703(5) no
    C12 C13 . 1.365(6) no
    C12 S2 . 1.711(4) no
    C13 H13 . 0.9300 no
    C13 C14 . 1.404(6) no
    C14 H14 . 0.9300 no
    C14 C15 . 1.342(7) no
    C15 H15 . 0.9300 no
    C15 S2 . 1.699(5) no
    C16 C17 . 1.443(5) no
    C16 C23 . 1.458(4) no
    C17 C27 . 1.480(8) no
    C17 C27B . 1.451(16) no
    C18 C19 . 1.402(5) no
    C18 C22 . 1.394(5) no
    C19 H19 . 0.9300 no
    C20 H20 . 0.9300 no
    C20 C21 . 1.366(5) no
    C21 H21 . 0.9300 no
    C21 C22 . 1.401(5) no
    C23 C24 . 1.396(5) no
    C23 S3 . 1.720(4) no
    C24 H24 . 0.9300 no
    C24 C25 . 1.420(5) no
    C25 H25 . 0.9300 no
    C25 C26 . 1.348(8) no
    C26 H26 . 0.9300 no
    C26 S3 . 1.690(5) no
    C27 C28 . 1.379(18) no
    C27 S4 . 1.708(11) no
    C28 H28 . 0.9300 no
    C28 C29 . 1.429(18) no
    C29 H29 . 0.9300 no
    C29 C30 . 1.312(11) no
    C30 H30 . 0.9300 no
    C30 S4 . 1.707(10) no
    C27B C28B . 1.38(2) no
    C27B S4B . 1.68(2) no
    C28B H28B . 0.9300 no
    C28B C29B . 1.44(2) no
    C29B H29B . 0.9300 no
    C29B C30B . 1.309(19) no
    C30B H30B . 0.9300 no
    C30B S4B . 1.698(18) no
    Cl1 O1 . 1.399(4) no
    Cl1 O2 . 1.417(5) no
    Cl1 O3 . 1.380(5) no
    Cl1 O4 . 1.415(4) no
    O6 H6A . 0.8200 no
    O6 C32 . 1.394(8) no
    C32 H32A . 0.9600 no
    C32 H32B . 0.9600 no
    C32 H32C . 0.9600 no
    O5 H5A . 0.8200 no
    O5 C31 . 1.398(11) no
    C31 H31A . 0.9600 no
    C31 H31B . 0.9600 no
    C31 H31C . 0.9600 no
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
    N3 Ag1 N6 . . 175.24(14) yes
    C1 N1 C7 . . 117.7(3) no
    C2 N2 C3 . . 117.3(3) no
    C4 N3 Ag1 . . 121.9(3) no
    C4 N3 C5 . . 118.3(3) no
    C5 N3 Ag1 . . 119.8(3) no
    C16 N4 C22 . . 117.9(3) no
    C17 N5 C18 . . 117.2(3) no
    C19 N6 Ag1 . . 121.3(3) no
    C19 N6 C20 . . 118.0(3) no
    C20 N6 Ag1 . . 120.7(2) no
    N1 C1 C2 . . 121.0(3) no
    N1 C1 C8 . . 114.3(3) no
    C2 C1 C8 . . 124.8(3) no
    N2 C2 C1 . . 120.8(3) no
    N2 C2 C12 . . 115.7(3) no
    C1 C2 C12 . . 123.4(3) no
    N2 C3 C4 . . 119.8(3) no
    N2 C3 C7 . . 121.5(3) no
    C7 C3 C4 . . 118.6(3) no
    N3 C4 C3 . . 123.1(4) no
    N3 C4 H4 . . 118.5 no
    C3 C4 H4 . . 118.5 no
    N3 C5 H5 . . 118.7 no
    C6 C5 N3 . . 122.6(4) no
    C6 C5 H5 . . 118.7 no
    C5 C6 H6 . . 120.3 no
    C5 C6 C7 . . 119.4(4) no
    C7 C6 H6 . . 120.3 no
    N1 C7 C3 . . 120.3(3) no
    N1 C7 C6 . . 121.8(3) no
    C6 C7 C3 . . 118.0(3) no
    C1 C8 S1 . . 117.5(3) no
    C9 C8 C1 . . 131.8(3) no
    C9 C8 S1 . . 110.5(3) no
    C8 C9 H9 . . 123.6 no
    C8 C9 C10 . . 112.8(4) no
    C10 C9 H9 . . 123.6 no
    C9 C10 H10 . . 123.7 no
    C11 C10 C9 . . 112.5(4) no
    C11 C10 H10 . . 123.7 no
    C10 C11 H11 . . 123.9 no
    C10 C11 S1 . . 112.1(4) no
    S1 C11 H11 . . 123.9 no
    C11 S1 C8 . . 92.0(2) no
    C2 C12 S2 . . 121.1(3) no
    C13 C12 C2 . . 127.5(4) no
    C13 C12 S2 . . 110.7(3) no
    C12 C13 H13 . . 123.8 no
    C12 C13 C14 . . 112.5(4) no
    C14 C13 H13 . . 123.8 no
    C13 C14 H14 . . 123.5 no
    C15 C14 C13 . . 113.0(4) no
    C15 C14 H14 . . 123.5 no
    C14 C15 H15 . . 124.1 no
    C14 C15 S2 . . 111.8(3) no
    S2 C15 H15 . . 124.1 no
    C15 S2 C12 . . 91.9(2) no
    N4 C16 C17 . . 120.7(3) no
    N4 C16 C23 . . 115.8(4) no
    C17 C16 C23 . . 123.5(3) no
    N5 C17 C16 . . 121.5(3) no
    N5 C17 C27 . . 116.2(8) no
    N5 C17 C27B . . 111.7(17) no
    C16 C17 C27 . . 122.4(7) no
    C16 C17 C27B . . 126.4(17) no
    N5 C18 C19 . . 118.4(3) no
    N5 C18 C22 . . 121.6(3) no
    C22 C18 C19 . . 119.8(3) no
    N6 C19 C18 . . 122.1(4) no
    N6 C19 H19 . . 118.9 no
    C18 C19 H19 . . 118.9 no
    N6 C20 H20 . . 118.0 no
    N6 C20 C21 . . 123.9(4) no
    C21 C20 H20 . . 118.0 no
    C20 C21 H21 . . 120.7 no
    C20 C21 C22 . . 118.7(4) no
    C22 C21 H21 . . 120.7 no
    N4 C22 C18 . . 120.9(3) no
    N4 C22 C21 . . 121.7(3) no
    C18 C22 C21 . . 117.4(3) no
    C16 C23 S3 . . 117.2(3) no
    C24 C23 C16 . . 131.8(4) no
    C24 C23 S3 . . 110.9(3) no
    C23 C24 H24 . . 124.6 no
    C23 C24 C25 . . 110.7(4) no
    C25 C24 H24 . . 124.6 no
    C24 C25 H25 . . 123.1 no
    C26 C25 C24 . . 113.8(4) no
    C26 C25 H25 . . 123.1 no
    C25 C26 H26 . . 123.9 no
    C25 C26 S3 . . 112.2(3) no
    S3 C26 H26 . . 123.9 no
    C26 S3 C23 . . 92.3(2) no
    C17 C27 S4 . . 122.1(8) no
    C28 C27 C17 . . 125.6(12) no
    C28 C27 S4 . . 110.8(9) no
    C27 C28 H28 . . 124.7 no
    C27 C28 C29 . . 110.7(13) no
    C29 C28 H28 . . 124.7 no
    C28 C29 H29 . . 123.0 no
    C30 C29 C28 . . 114.0(12) no
    C30 C29 H29 . . 123.0 no
    C29 C30 H30 . . 124.0 no
    C29 C30 S4 . . 112.0(9) no
    S4 C30 H30 . . 124.0 no
    C27 S4 C30 . . 92.0(5) no
    C17 C27B S4B . . 122.3(17) no
    C28B C27B C17 . . 125(2) no
    C28B C27B S4B . . 113.0(13) no
    C27B C28B H28B . . 125.4 no
    C27B C28B C29B . . 109.1(18) no
    C29B C28B H28B . . 125.4 no
    C28B C29B H29B . . 123.2 no
    C30B C29B C28B . . 113.6(19) no
    C30B C29B H29B . . 123.2 no
    C29B C30B H30B . . 123.6 no
    C29B C30B S4B . . 112.8(16) no
    S4B C30B H30B . . 123.6 no
    C27B S4B C30B . . 91.3(11) no
    O1 Cl1 O2 . . 107.9(3) no
    O1 Cl1 O4 . . 110.6(3) no
    O3 Cl1 O1 . . 113.3(3) no
    O3 Cl1 O2 . . 102.6(4) no
    O3 Cl1 O4 . . 111.0(3) no
    O4 Cl1 O2 . . 111.2(4) no
    C32 O6 H6A . . 109.5 no
    O6 C32 H32A . . 109.5 no
    O6 C32 H32B . . 109.5 no
    O6 C32 H32C . . 109.5 no
    H32A C32 H32B . . 109.5 no
    H32A C32 H32C . . 109.5 no
    H32B C32 H32C . . 109.5 no
    C31 O5 H5A . . 109.5 no
    O5 C31 H31A . . 109.5 no
    O5 C31 H31B . . 109.5 no
    O5 C31 H31C . . 109.5 no
    H31A C31 H31B . . 109.5 no
    H31A C31 H31C . . 109.5 no
    H31B C31 H31C . . 109.5 no
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
    Ag1 N3 C4 C3 . . . . -177.7(3) no
    Ag1 N3 C5 C6 . . . . 179.2(4) no
    Ag1 N6 C19 C18 . . . . 178.9(3) no
    Ag1 N6 C20 C21 . . . . -178.4(3) no
    N1 C1 C2 N2 . . . . 12.4(5) no
    N1 C1 C2 C12 . . . . -165.9(4) no
    N1 C1 C8 C9 . . . . -169.2(4) no
    N1 C1 C8 S1 . . . . 5.6(4) no
    N2 C2 C12 C13 . . . . -126.6(4) no
    N2 C2 C12 S2 . . . . 43.3(5) no
    N2 C3 C4 N3 . . . . 172.7(4) no
    N2 C3 C7 N1 . . . . 7.8(6) no
    N2 C3 C7 C6 . . . . -172.9(4) no
    N3 C5 C6 C7 . . . . 0.3(7) no
    N4 C16 C17 N5 . . . . -5.2(5) no
    N4 C16 C17 C27 . . . . 175.2(7) no
    N4 C16 C17 C27B . . . . 166.7(14) no
    N4 C16 C23 C24 . . . . 170.4(4) no
    N4 C16 C23 S3 . . . . -7.4(4) no
    N5 C17 C27 C28 . . . . -55(2) no
    N5 C17 C27 S4 . . . . 109.3(11) no
    N5 C17 C27B C28B . . . . 104(3) no
    N5 C17 C27B S4B . . . . -80(3) no
    N5 C18 C19 N6 . . . . -176.8(4) no
    N5 C18 C22 N4 . . . . -4.0(6) no
    N5 C18 C22 C21 . . . . 176.7(4) no
    N6 C20 C21 C22 . . . . -0.6(7) no
    C1 N1 C7 C3 . . . . -5.5(5) no
    C1 N1 C7 C6 . . . . 175.3(4) no
    C1 C2 C12 C13 . . . . 51.8(6) no
    C1 C2 C12 S2 . . . . -138.3(3) no
    C1 C8 C9 C10 . . . . 175.5(4) no
    C1 C8 S1 C11 . . . . -176.6(3) no
    C2 N2 C3 C4 . . . . -175.5(3) no
    C2 N2 C3 C7 . . . . 0.4(5) no
    C2 C1 C8 C9 . . . . 9.0(7) no
    C2 C1 C8 S1 . . . . -176.2(3) no
    C2 C12 C13 C14 . . . . 172.0(4) no
    C2 C12 S2 C15 . . . . -173.1(3) no
    C3 N2 C2 C1 . . . . -10.0(5) no
    C3 N2 C2 C12 . . . . 168.5(3) no
    C4 N3 C5 C6 . . . . -0.4(7) no
    C4 C3 C7 N1 . . . . -176.3(3) no
    C4 C3 C7 C6 . . . . 3.0(6) no
    C5 N3 C4 C3 . . . . 1.9(6) no
    C5 C6 C7 N1 . . . . 177.7(4) no
    C5 C6 C7 C3 . . . . -1.6(6) no
    C7 N1 C1 C2 . . . . -4.0(5) no
    C7 N1 C1 C8 . . . . 174.2(3) no
    C7 C3 C4 N3 . . . . -3.2(6) no
    C8 C1 C2 N2 . . . . -165.6(3) no
    C8 C1 C2 C12 . . . . 16.0(6) no
    C8 C9 C10 C11 . . . . 0.2(7) no
    C9 C8 S1 C11 . . . . -0.8(3) no
    C9 C10 C11 S1 . . . . -0.8(6) no
    C10 C11 S1 C8 . . . . 0.9(5) no
    S1 C8 C9 C10 . . . . 0.5(5) no
    C12 C13 C14 C15 . . . . 0.0(6) no
    C13 C12 S2 C15 . . . . -1.6(3) no
    C13 C14 C15 S2 . . . . -1.2(6) no
    C14 C15 S2 C12 . . . . 1.6(4) no
    S2 C12 C13 C14 . . . . 1.2(5) no
    C16 N4 C22 C18 . . . . 1.6(5) no
    C16 N4 C22 C21 . . . . -179.1(4) no
    C16 C17 C27 C28 . . . . 124.1(18) no
    C16 C17 C27 S4 . . . . -71.1(12) no
    C16 C17 C27B C28B . . . . -68(3) no
    C16 C17 C27B S4B . . . . 108(3) no
    C16 C23 C24 C25 . . . . -177.9(4) no
    C16 C23 S3 C26 . . . . 178.9(3) no
    C17 N5 C18 C19 . . . . 177.9(4) no
    C17 N5 C18 C22 . . . . 1.6(6) no
    C17 C16 C23 C24 . . . . -8.5(6) no
    C17 C16 C23 S3 . . . . 173.7(3) no
    C17 C27 C28 C29 . . . . 174.9(14) no
    C17 C27 S4 C30 . . . . -173.6(13) no
    C17 C27B C28B C29B . . . . 173(3) no
    C17 C27B S4B C30B . . . . -176(3) no
    C18 N5 C17 C16 . . . . 2.8(5) no
    C18 N5 C17 C27 . . . . -177.6(6) no
    C18 N5 C17 C27B . . . . -170.2(12) no
    C19 N6 C20 C21 . . . . 0.7(7) no
    C19 C18 C22 N4 . . . . 179.8(4) no
    C19 C18 C22 C21 . . . . 0.5(6) no
    C20 N6 C19 C18 . . . . -0.1(6) no
    C20 C21 C22 N4 . . . . -179.2(4) no
    C20 C21 C22 C18 . . . . 0.0(6) no
    C22 N4 C16 C17 . . . . 2.7(5) no
    C22 N4 C16 C23 . . . . -176.1(3) no
    C22 C18 C19 N6 . . . . -0.4(6) no
    C23 C16 C17 N5 . . . . 173.6(3) no
    C23 C16 C17 C27 . . . . -6.0(8) no
    C23 C16 C17 C27B . . . . -14.5(15) no
    C23 C24 C25 C26 . . . . -0.9(6) no
    C24 C23 S3 C26 . . . . 0.7(3) no
    C24 C25 C26 S3 . . . . 1.4(6) no
    C25 C26 S3 C23 . . . . -1.2(4) no
    S3 C23 C24 C25 . . . . 0.0(4) no
    C27 C28 C29 C30 . . . . -7(2) no
    C28 C27 S4 C30 . . . . -6.8(15) no
    C28 C29 C30 S4 . . . . 1.4(18) no
    C29 C30 S4 C27 . . . . 3.1(10) no
    S4 C27 C28 C29 . . . . 9(2) no
    C27B C28B C29B C30B . . . . 5(2) no
    C28B C27B S4B C30B . . . . 1(3) no
    C28B C29B C30B S4B . . . . -4(3) no
    C29B C30B S4B C27B . . . . 2(3) no
    S4B C27B C28B C29B . . . . -3(2) no
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
    C6 H6 S4 1_456 0.93 2.92 3.665(6) 137.9 yes
    C9 H9 O2 1_556 0.93 2.64 3.465(8) 148.8 yes
    C11 H11 O5 1_456 0.93 2.65 3.520(8) 156.1 yes
    C14 H14 N5 2_646 0.93 2.69 3.393(5) 132.6 yes
    C24 H24 S4 . 0.93 2.77 3.321(6) 118.5 yes
    C24 H24 S4B . 0.93 3.00 3.774(17) 141.2 yes
    C29 H29 O4 2_655 0.93 2.49 3.330(12) 149.7 yes
    C30 H30 Cl1 2_755 0.93 2.96 3.738(10) 142.1 yes
    C30 H30 O1 2_755 0.93 2.40 3.312(10) 165.7 yes
    C28B H28B S1 1_654 0.93 2.93 3.67(2) 137.9 yes
    C29B H29B O2 2_755 0.93 2.31 3.21(2) 162.2 yes
    O6 H6A O5 . 0.82 1.99 2.805(8) 174.7 yes
    O5 H5A O3 2_756 0.82 2.11 2.889(8) 158.0 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     ?
_shelx_estimated_absorpt_T_max     ?
