#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/85/4318520.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4318520
loop_
_publ_author_name
'Melanie A. Muckey'
'Lisa F. Szczepura'
'Gregory M. Ferrence'
'Timothy D. Lash'
_publ_contact_author             'Ferrence, Gregory M.'
_publ_contact_author_email       gferren@ilstu.edu
_publ_section_title
;
 Silver(III) Carbaporphyrins: The First Organometallic Complexes of True
 Carbaporphyrins
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4840
_journal_page_last               4842
_journal_paper_doi               10.1021/ic020285b
_journal_volume                  41
_journal_year                    2002
_chemical_compound_source        'Lash Laboratory'
_chemical_formula_moiety         'C43 H34 Ag1 N3, 0.5(C H Cl3)'
_chemical_formula_structural     'C43 H34 N3 AG'
_chemical_formula_sum            'C43.5 H34.5 Ag Cl1.5 N3'
_chemical_formula_weight         760.29
_chemical_melting_point_gt       573
_chemical_name_systematic
;
8,17-diethyl-7,18-dimethyl-12,13-diphenyl-21-carbaporphyrinsilver(III)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2001-07-11T00:43:29-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                100.0430
_cell_angle_beta                 101.4050
_cell_angle_gamma                104.6380
_cell_formula_units_Z            2
_cell_length_a                   8.8529(5)
_cell_length_b                   12.3329(8)
_cell_length_c                   16.8933(10)
_cell_measurement_reflns_used    5867
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.376
_cell_measurement_theta_min      2.396
_cell_measurement_wavelength     0.71073
_cell_volume                     1699.69(18)
_computing_cell_refinement       'SMART (Brucker, 1997)'
_computing_data_collection       'SMART (Brucker, 1997)'
_computing_data_reduction        'SAINT (Brucker, 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIFF(Beurskens, 1999)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0287
_diffrn_reflns_av_unetI/netI     0.0584
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            8461
_diffrn_reflns_theta_full        26.39
_diffrn_reflns_theta_max         26.39
_diffrn_reflns_theta_min         1.27
_exptl_absorpt_coefficient_mu    0.748
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'dark purple'
_exptl_crystal_density_diffrn    1.486
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             778
_exptl_crystal_preparation       'diffusion of methanol into CHCl3'
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.214
_refine_diff_density_min         -0.69
_refine_diff_density_rms         0.152
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         6839
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0631
_refine_ls_R_factor_gt           0.0459
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0700P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1093
_refine_ls_wR_factor_ref         0.121
_reflns_number_gt                5453
_reflns_number_total             6839
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic020285b.cif
_cod_data_source_block           isu0105
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' tag was changed to
'_chemical_melting_point_gt' since the value was specified 'more
than' ('>') a certain temperature. The value '>573 K' was changed to
'573' - it should be numeric and without a unit designator.

Automatic conversion script
Id: cif_fix_values 1569 2011-02-09 13:29:24Z adriana 
;
_cod_original_formula_sum        'C43.50 H34.50 Ag Cl1.50 N3'
_cod_database_code               4318520
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.20065(3) 0.44718(3) 0.440816(16) 0.02385(10) Uani 1 1 d . . .
C21 C 0.3505(4) 0.4125(3) 0.5328(2) 0.0260(8) Uani 1 1 d . . .
N22 N 0.2126(4) 0.5964(3) 0.51940(19) 0.0263(7) Uani 1 1 d . . .
N23 N 0.0484(3) 0.4851(3) 0.34568(19) 0.0269(7) Uani 1 1 d . . .
N24 N 0.1935(4) 0.2975(3) 0.36349(19) 0.0270(7) Uani 1 1 d . . .
C1 C 0.4035(4) 0.3132(3) 0.5252(2) 0.0273(8) Uani 1 1 d . . .
C2 C 0.5143(4) 0.3252(4) 0.6061(2) 0.0290(8) Uani 1 1 d . . .
C2A C 0.5982(4) 0.2524(4) 0.6341(3) 0.0336(9) Uani 1 1 d . . .
H2A H 0.5923 0.1833 0.5994 0.04 Uiso 1 1 calc R . .
C2B C 0.6916(5) 0.2863(4) 0.7160(3) 0.0367(10) Uani 1 1 d . . .
H2B H 0.7473 0.2384 0.7366 0.044 Uiso 1 1 calc R . .
C3 C 0.5243(4) 0.4292(3) 0.6588(2) 0.0273(8) Uani 1 1 d . . .
C3A C 0.6203(4) 0.4631(4) 0.7405(2) 0.0327(9) Uani 1 1 d . . .
H3A H 0.628 0.5325 0.7755 0.039 Uiso 1 1 calc R . .
C3B C 0.7028(5) 0.3902(4) 0.7673(2) 0.0365(10) Uani 1 1 d . . .
H3B H 0.7678 0.4112 0.8213 0.044 Uiso 1 1 calc R . .
C4 C 0.4193(4) 0.4854(3) 0.6127(2) 0.0268(8) Uani 1 1 d . . .
C5 C 0.3960(4) 0.5883(3) 0.6455(2) 0.0286(8) Uani 1 1 d . . .
H5 H 0.4498 0.6253 0.7005 0.034 Uiso 1 1 calc R . .
C6 C 0.2973(4) 0.6401(3) 0.6015(2) 0.0278(8) Uani 1 1 d . . .
C7 C 0.2715(5) 0.7490(3) 0.6328(2) 0.0301(8) Uani 1 1 d . . .
C7A C 0.3417(5) 0.8186(4) 0.7199(3) 0.0400(10) Uani 1 1 d . . .
H7A1 H 0.4067 0.7805 0.7505 0.048 Uiso 1 1 calc R . .
H7A2 H 0.2563 0.8266 0.7455 0.048 Uiso 1 1 calc R . .
H7A3 H 0.4075 0.8935 0.7199 0.048 Uiso 1 1 calc R . .
C8 C 0.1722(5) 0.7697(4) 0.5686(3) 0.0313(9) Uani 1 1 d . . .
C8A C 0.1117(5) 0.8738(4) 0.5687(3) 0.0375(10) Uani 1 1 d . . .
H8A1 H 0.1131 0.9081 0.6252 0.045 Uiso 1 1 calc R . .
H8A2 H 0.0008 0.8492 0.5358 0.045 Uiso 1 1 calc R . .
C8B C 0.2124(6) 0.9647(4) 0.5342(3) 0.0506(12) Uani 1 1 d . . .
H8B1 H 0.1692 1.0288 0.5357 0.061 Uiso 1 1 calc R . .
H8B2 H 0.2096 0.9318 0.4779 0.061 Uiso 1 1 calc R . .
H8B3 H 0.3219 0.9907 0.5673 0.061 Uiso 1 1 calc R . .
C9 C 0.1361(4) 0.6762(4) 0.4975(2) 0.0289(8) Uani 1 1 d . . .
C10 C 0.0413(4) 0.6699(4) 0.4203(2) 0.0296(8) Uani 1 1 d . . .
H10 H 0.0001 0.7314 0.4155 0.036 Uiso 1 1 calc R . .
C11 C 0.0006(4) 0.5825(4) 0.3492(2) 0.0308(9) Uani 1 1 d . . .
C12 C -0.0933(4) 0.5795(4) 0.2672(2) 0.0332(9) Uani 1 1 d . . .
C12A C -0.1468(4) 0.6762(4) 0.2424(3) 0.0364(10) Uani 1 1 d . . .
C12B C -0.2212(5) 0.7401(4) 0.2885(3) 0.0391(10) Uani 1 1 d . . .
H12B H -0.2406 0.722 0.3375 0.047 Uiso 1 1 calc R . .
C12C C -0.2675(5) 0.8307(4) 0.2630(3) 0.0454(11) Uani 1 1 d . . .
H12C H -0.3183 0.8723 0.2944 0.054 Uiso 1 1 calc R . .
C12D C -0.2374(6) 0.8586(5) 0.1907(3) 0.0527(13) Uani 1 1 d . . .
H12D H -0.2673 0.9196 0.1737 0.063 Uiso 1 1 calc R . .
C12E C -0.1635(6) 0.7963(5) 0.1438(3) 0.0530(13) Uani 1 1 d . . .
H12E H -0.1431 0.8154 0.0952 0.064 Uiso 1 1 calc R . .
C12F C -0.1197(5) 0.7055(4) 0.1689(3) 0.0412(10) Uani 1 1 d . . .
H12F H -0.0713 0.663 0.1364 0.049 Uiso 1 1 calc R . .
C13 C -0.1029(4) 0.4778(4) 0.2165(2) 0.0337(9) Uani 1 1 d . . .
C13A C -0.1941(5) 0.4298(4) 0.1279(3) 0.0403(10) Uani 1 1 d . . .
C13B C -0.3576(5) 0.4228(5) 0.1059(3) 0.0525(13) Uani 1 1 d . . .
H13B H -0.4075 0.4471 0.1463 0.063 Uiso 1 1 calc R . .
C13C C -0.4456(6) 0.3793(6) 0.0234(3) 0.0699(18) Uani 1 1 d . . .
H13C H -0.5544 0.3746 0.0089 0.084 Uiso 1 1 calc R . .
C13E C -0.2132(6) 0.3510(6) -0.0149(3) 0.0659(17) Uani 1 1 d . . .
H13E H -0.1646 0.3265 -0.0558 0.079 Uiso 1 1 calc R . .
C13D C -0.3748(6) 0.3439(6) -0.0357(3) 0.0726(19) Uani 1 1 d . . .
H13D H -0.4349 0.3146 -0.0906 0.087 Uiso 1 1 calc R . .
C13F C -0.1240(5) 0.3944(5) 0.0664(3) 0.0489(12) Uani 1 1 d . . .
H13F H -0.0148 0.3999 0.0798 0.059 Uiso 1 1 calc R . .
C14 C -0.0111(4) 0.4201(4) 0.2655(2) 0.0311(9) Uani 1 1 d . . .
C15 C 0.0165(4) 0.3160(4) 0.2368(2) 0.0320(9) Uani 1 1 d . . .
H15 H -0.0344 0.2787 0.1816 0.038 Uiso 1 1 calc R . .
C16 C 0.1108(4) 0.2615(3) 0.2806(2) 0.0302(8) Uani 1 1 d . . .
C17 C 0.1343(5) 0.1540(4) 0.2454(2) 0.0333(9) Uani 1 1 d . . .
C17A C 0.0748(6) 0.0926(4) 0.1543(3) 0.0456(11) Uani 1 1 d . . .
H17A H -0.0375 0.0888 0.1347 0.055 Uiso 1 1 calc R . .
H17B H 0.0808 0.0143 0.148 0.055 Uiso 1 1 calc R . .
C17B C 0.1729(8) 0.1530(6) 0.1006(3) 0.0767(19) Uani 1 1 d . . .
H17C H 0.1306 0.1113 0.0435 0.092 Uiso 1 1 calc R . .
H17D H 0.2838 0.1554 0.1188 0.092 Uiso 1 1 calc R . .
H17E H 0.1659 0.2302 0.1058 0.092 Uiso 1 1 calc R . .
C18 C 0.2240(5) 0.1232(4) 0.3074(3) 0.0329(9) Uani 1 1 d . . .
C18A C 0.2706(6) 0.0141(4) 0.3043(3) 0.0451(11) Uani 1 1 d . . .
H18A H 0.335 0.0167 0.3579 0.054 Uiso 1 1 calc R . .
H18B H 0.3317 0.0064 0.2637 0.054 Uiso 1 1 calc R . .
H18C H 0.1751 -0.0507 0.2894 0.054 Uiso 1 1 calc R . .
C19 C 0.2641(4) 0.2145(3) 0.3808(2) 0.0288(8) Uani 1 1 d . . .
C20 C 0.3641(5) 0.2219(4) 0.4576(2) 0.0309(9) Uani 1 1 d . . .
H20 H 0.4069 0.1614 0.4635 0.037 Uiso 1 1 calc R . .
C1S C 0.5177(14) 0.0650(10) -0.0245(7) 0.059(3) Uani 0.5 1 d P . .
H1S H 0.4598 0.1226 -0.0288 0.071 Uiso 0.5 1 calc PR . .
Cl1S Cl 0.6274(3) 0.0890(3) 0.06216(16) 0.1397(11) Uani 1 1 d . . .
Cl2S Cl 0.6350(6) 0.0616(3) -0.0957(3) 0.1124(15) Uani 0.5 1 d P . .
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 0 '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'
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C21 Ag1 N22 89.55(14) . . ?
C21 Ag1 N24 89.29(14) . . ?
N22 Ag1 N24 178.73(12) . . ?
C21 Ag1 N23 179.17(14) . . ?
N22 Ag1 N23 90.09(12) . . ?
N24 Ag1 N23 91.06(13) . . ?
C4 C21 C1 110.9(3) . . ?
C4 C21 Ag1 124.4(3) . . ?
C1 C21 Ag1 124.6(3) . . ?
C6 N22 C9 106.6(3) . . ?
C6 N22 Ag1 128.6(3) . . ?
C9 N22 Ag1 124.7(2) . . ?
C11 N23 C14 107.4(3) . . ?
C11 N23 Ag1 126.9(3) . . ?
C14 N23 Ag1 125.5(3) . . ?
C19 N24 C16 106.7(3) . . ?
C19 N24 Ag1 129.1(2) . . ?
C16 N24 Ag1 124.2(3) . . ?
C20 C1 C21 128.8(3) . . ?
C20 C1 C2 125.0(4) . . ?
C21 C1 C2 106.2(3) . . ?
C2A C2 C3 120.7(4) . . ?
C2A C2 C1 131.1(4) . . ?
C3 C2 C1 108.2(3) . . ?
C2 C2A C2B 117.9(4) . . ?
C2 C2A H2A 121.1 . . ?
C2B C2A H2A 121.1 . . ?
C3B C2B C2A 121.1(4) . . ?
C3B C2B H2B 119.5 . . ?
C2A C2B H2B 119.5 . . ?
C3A C3 C2 121.0(4) . . ?
C3A C3 C4 130.9(4) . . ?
C2 C3 C4 108.2(3) . . ?
C3B C3A C3 117.7(4) . . ?
C3B C3A H3A 121.2 . . ?
C3 C3A H3A 121.2 . . ?
C3A C3B C2B 121.7(4) . . ?
C3A C3B H3B 119.1 . . ?
C2B C3B H3B 119.1 . . ?
C5 C4 C21 129.0(4) . . ?
C5 C4 C3 124.5(4) . . ?
C21 C4 C3 106.5(3) . . ?
C4 C5 C6 123.9(4) . . ?
C4 C5 H5 118.1 . . ?
C6 C5 H5 118.1 . . ?
N22 C6 C5 124.4(4) . . ?
N22 C6 C7 109.7(3) . . ?
C5 C6 C7 125.8(4) . . ?
C8 C7 C6 106.5(4) . . ?
C8 C7 C7A 129.5(4) . . ?
C6 C7 C7A 124.0(4) . . ?
C7 C7A H7A1 109.5 . . ?
C7 C7A H7A2 109.5 . . ?
H7A1 C7A H7A2 109.5 . . ?
C7 C7A H7A3 109.5 . . ?
H7A1 C7A H7A3 109.5 . . ?
H7A2 C7A H7A3 109.5 . . ?
C7 C8 C9 108.3(4) . . ?
C7 C8 C8A 127.3(4) . . ?
C9 C8 C8A 124.3(4) . . ?
C8 C8A C8B 112.8(3) . . ?
C8 C8A H8A1 109 . . ?
C8B C8A H8A1 109 . . ?
C8 C8A H8A2 109 . . ?
C8B C8A H8A2 109 . . ?
H8A1 C8A H8A2 107.8 . . ?
C8A C8B H8B1 109.5 . . ?
C8A C8B H8B2 109.5 . . ?
H8B1 C8B H8B2 109.5 . . ?
C8A C8B H8B3 109.5 . . ?
H8B1 C8B H8B3 109.5 . . ?
H8B2 C8B H8B3 109.5 . . ?
C10 C9 N22 126.9(4) . . ?
C10 C9 C8 124.2(4) . . ?
N22 C9 C8 108.8(3) . . ?
C9 C10 C11 127.5(4) . . ?
C9 C10 H10 116.3 . . ?
C11 C10 H10 116.3 . . ?
N23 C11 C10 123.8(3) . . ?
N23 C11 C12 109.3(4) . . ?
C10 C11 C12 126.8(4) . . ?
C13 C12 C11 106.6(4) . . ?
C13 C12 C12A 127.1(4) . . ?
C11 C12 C12A 125.8(4) . . ?
C12B C12A C12F 117.9(4) . . ?
C12B C12A C12 123.4(4) . . ?
C12F C12A C12 118.7(4) . . ?
C12A C12B C12C 121.2(4) . . ?
C12A C12B H12B 119.4 . . ?
C12C C12B H12B 119.4 . . ?
C12D C12C C12B 119.6(5) . . ?
C12D C12C H12C 120.2 . . ?
C12B C12C H12C 120.2 . . ?
C12E C12D C12C 120.2(5) . . ?
C12E C12D H12D 119.9 . . ?
C12C C12D H12D 119.9 . . ?
C12D C12E C12F 119.9(4) . . ?
C12D C12E H12E 120.1 . . ?
C12F C12E H12E 120.1 . . ?
C12E C12F C12A 121.1(5) . . ?
C12E C12F H12F 119.4 . . ?
C12A C12F H12F 119.4 . . ?
C12 C13 C14 107.2(3) . . ?
C12 C13 C13A 128.0(4) . . ?
C14 C13 C13A 124.8(4) . . ?
C13F C13A C13B 118.5(4) . . ?
C13F C13A C13 123.0(4) . . ?
C13B C13A C13 118.5(4) . . ?
C13C C13B C13A 119.8(5) . . ?
C13C C13B H13B 120.1 . . ?
C13A C13B H13B 120.1 . . ?
C13D C13C C13B 120.7(5) . . ?
C13D C13C H13C 119.6 . . ?
C13B C13C H13C 119.6 . . ?
C13F C13E C13D 120.1(5) . . ?
C13F C13E H13E 120 . . ?
C13D C13E H13E 120 . . ?
C13C C13D C13E 120.1(5) . . ?
C13C C13D H13D 120 . . ?
C13E C13D H13D 120 . . ?
C13A C13F C13E 120.8(4) . . ?
C13A C13F H13F 119.6 . . ?
C13E C13F H13F 119.6 . . ?
N23 C14 C15 124.5(3) . . ?
N23 C14 C13 109.4(4) . . ?
C15 C14 C13 126.1(4) . . ?
C16 C15 C14 127.7(4) . . ?
C16 C15 H15 116.1 . . ?
C14 C15 H15 116.1 . . ?
C15 C16 N24 127.0(4) . . ?
C15 C16 C17 124.0(4) . . ?
N24 C16 C17 109.0(3) . . ?
C18 C17 C16 107.5(4) . . ?
C18 C17 C17A 127.7(4) . . ?
C16 C17 C17A 124.7(4) . . ?
C17 C17A C17B 112.6(4) . . ?
C17 C17A H17A 109.1 . . ?
C17B C17A H17A 109.1 . . ?
C17 C17A H17B 109.1 . . ?
C17B C17A H17B 109.1 . . ?
H17A C17A H17B 107.8 . . ?
C17A C17B H17C 109.5 . . ?
C17A C17B H17D 109.5 . . ?
H17C C17B H17D 109.5 . . ?
C17A C17B H17E 109.5 . . ?
H17C C17B H17E 109.5 . . ?
H17D C17B H17E 109.5 . . ?
C17 C18 C19 107.0(4) . . ?
C17 C18 C18A 128.3(4) . . ?
C19 C18 C18A 124.6(4) . . ?
C18 C18A H18A 109.5 . . ?
C18 C18A H18B 109.5 . . ?
H18A C18A H18B 109.5 . . ?
C18 C18A H18C 109.5 . . ?
H18A C18A H18C 109.5 . . ?
H18B C18A H18C 109.5 . . ?
N24 C19 C20 124.0(4) . . ?
N24 C19 C18 109.7(3) . . ?
C20 C19 C18 126.2(4) . . ?
C1 C20 C19 124.1(4) . . ?
C1 C20 H20 118 . . ?
C19 C20 H20 118 . . ?
Cl1S C1S Cl2S 108.3(7) . . ?
Cl1S C1S Cl1S 113.6(6) . 2_655 ?
Cl2S C1S Cl1S 100.0(5) . 2_655 ?
Cl1S C1S H1S 111.5 . . ?
Cl2S C1S H1S 111.5 . . ?
Cl1S C1S H1S 111.5 2_655 . ?
C1S Cl1S C1S 66.4(6) . 2_655 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 C21 2.015(3) . ?
Ag1 N22 2.038(3) . ?
Ag1 N24 2.046(3) . ?
Ag1 N23 2.084(3) . ?
C21 C4 1.405(5) . ?
C21 C1 1.414(5) . ?
N22 C6 1.379(5) . ?
N22 C9 1.390(5) . ?
N23 C11 1.367(5) . ?
N23 C14 1.371(5) . ?
N24 C19 1.371(5) . ?
N24 C16 1.382(5) . ?
C1 C20 1.374(6) . ?
C1 C2 1.476(5) . ?
C2 C2A 1.387(5) . ?
C2 C3 1.400(6) . ?
C2A C2B 1.395(6) . ?
C2A H2A 0.93 . ?
C2B C3B 1.385(6) . ?
C2B H2B 0.93 . ?
C3 C3A 1.399(5) . ?
C3 C4 1.476(5) . ?
C3A C3B 1.375(6) . ?
C3A H3A 0.93 . ?
C3B H3B 0.93 . ?
C4 C5 1.376(6) . ?
C5 C6 1.384(5) . ?
C5 H5 0.93 . ?
C6 C7 1.445(6) . ?
C7 C8 1.359(6) . ?
C7 C7A 1.489(6) . ?
C7A H7A1 0.96 . ?
C7A H7A2 0.96 . ?
C7A H7A3 0.96 . ?
C8 C9 1.433(6) . ?
C8 C8A 1.511(6) . ?
C8A C8B 1.523(6) . ?
C8A H8A1 0.97 . ?
C8A H8A2 0.97 . ?
C8B H8B1 0.96 . ?
C8B H8B2 0.96 . ?
C8B H8B3 0.96 . ?
C9 C10 1.382(5) . ?
C10 C11 1.384(6) . ?
C10 H10 0.93 . ?
C11 C12 1.456(5) . ?
C12 C13 1.363(6) . ?
C12 C12A 1.485(6) . ?
C12A C12B 1.383(6) . ?
C12A C12F 1.400(5) . ?
C12B C12C 1.390(6) . ?
C12B H12B 0.93 . ?
C12C C12D 1.382(7) . ?
C12C H12C 0.93 . ?
C12D C12E 1.376(8) . ?
C12D H12D 0.93 . ?
C12E C12F 1.381(7) . ?
C12E H12E 0.93 . ?
C12F H12F 0.93 . ?
C13 C14 1.444(5) . ?
C13 C13A 1.488(6) . ?
C13A C13F 1.376(6) . ?
C13A C13B 1.398(6) . ?
C13B C13C 1.391(7) . ?
C13B H13B 0.93 . ?
C13C C13D 1.347(8) . ?
C13C H13C 0.93 . ?
C13E C13F 1.376(6) . ?
C13E C13D 1.380(7) . ?
C13E H13E 0.93 . ?
C13D H13D 0.93 . ?
C13F H13F 0.93 . ?
C14 C15 1.389(6) . ?
C15 C16 1.381(6) . ?
C15 H15 0.93 . ?
C16 C17 1.439(6) . ?
C17 C18 1.354(6) . ?
C17 C17A 1.513(6) . ?
C17A C17B 1.534(7) . ?
C17A H17A 0.97 . ?
C17A H17B 0.97 . ?
C17B H17C 0.96 . ?
C17B H17D 0.96 . ?
C17B H17E 0.96 . ?
C18 C19 1.438(6) . ?
C18 C18A 1.500(6) . ?
C18A H18A 0.96 . ?
C18A H18B 0.96 . ?
C18A H18C 0.96 . ?
C19 C20 1.393(5) . ?
C20 H20 0.93 . ?
C1S Cl1S 1.521(11) . ?
C1S Cl2S 1.740(11) . ?
C1S Cl1S 1.920(12) 2_655 ?
C1S H1S 0.98 . ?
Cl1S C1S 1.920(12) 2_655 ?
