#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:16:45 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179888 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/84/7018470.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_7018470
loop_
_publ_author_name
'Humenny, Will J.'
'Mitzinger, Stefan'
'Khadka, Chhatra B.'
'Najafabadi, Bahareh Khalili'
'Vieira, Isabelle'
'Corrigan, John F.'
_publ_section_title
;
 N-heterocyclic carbene stabilized copper- and silver-phenylchalcogenolate
 ring complexes.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4413
_journal_page_last               4422
_journal_paper_doi               10.1039/c2dt11998f
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C76 H92 Ag4 N8 Se4'
_chemical_formula_weight         1864.90
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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_method           SHELXL-97
_cell_angle_alpha                118.350(6)
_cell_angle_beta                 91.274(6)
_cell_angle_gamma                101.302(6)
_cell_formula_units_Z            1
_cell_length_a                   12.438(3)
_cell_length_b                   13.165(3)
_cell_length_c                   13.217(3)
_cell_measurement_reflns_used    1043
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      16.97
_cell_measurement_theta_min      2.16
_cell_volume                     1851.0(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.3163
_diffrn_reflns_av_sigmaI/netI    0.1624
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            76950
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    3.056
_exptl_absorpt_correction_T_max  0.9701
_exptl_absorpt_correction_T_min  0.9275
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.673
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             928
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.835
_refine_diff_density_min         -0.869
_refine_diff_density_rms         0.192
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.879
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     423
_refine_ls_number_reflns         6522
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.879
_refine_ls_R_factor_all          0.1512
_refine_ls_R_factor_gt           0.0549
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0355P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0824
_refine_ls_wR_factor_ref         0.1010
_reflns_number_gt                3496
_reflns_number_total             6522
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt11998f.txt
_cod_data_source_block           b10127a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1851.1(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7018470
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
Ag1 Ag 1.06400(5) 0.62561(6) 0.16884(6) 0.02433(19) Uani 1 1 d .
Ag2 Ag 0.85851(5) 0.53833(6) 0.25178(6) 0.02364(19) Uani 1 1 d .
Se1 Se 1.05779(7) 0.52819(7) 0.30459(7) 0.0194(2) Uani 1 1 d .
Se2 Se 0.85807(7) 0.52382(7) 0.03974(7) 0.0201(2) Uani 1 1 d .
N1 N 1.2829(5) 0.8227(5) 0.2357(5) 0.0195(17) Uani 1 1 d .
N2 N 1.1626(5) 0.8491(5) 0.1360(5) 0.0164(16) Uani 1 1 d .
N3 N 0.7041(5) 0.6476(6) 0.4404(5) 0.0196(17) Uani 1 1 d .
N4 N 0.6052(5) 0.4900(5) 0.2913(5) 0.0160(16) Uani 1 1 d .
C1 C 1.1741(6) 0.7867(7) 0.1915(6) 0.0147(19) Uani 1 1 d .
C2 C 1.3412(6) 0.9028(7) 0.2054(7) 0.0163(19) Uani 1 1 d .
C3 C 1.4545(7) 0.9596(7) 0.2259(7) 0.024(2) Uani 1 1 d .
H3A H 1.5069 0.9480 0.2704 0.029 Uiso 1 1 calc R
C4 C 1.4855(7) 1.0325(7) 0.1789(7) 0.024(2) Uani 1 1 d .
H4A H 1.5613 1.0704 0.1891 0.029 Uiso 1 1 calc R
C5 C 1.4066(7) 1.0521(7) 0.1157(7) 0.024(2) Uani 1 1 d .
H5A H 1.4302 1.1041 0.0854 0.029 Uiso 1 1 calc R
C6 C 1.2972(7) 0.9978(7) 0.0974(7) 0.026(2) Uani 1 1 d .
H6A H 1.2445 1.0118 0.0552 0.031 Uiso 1 1 calc R
C7 C 1.2652(7) 0.9230(7) 0.1410(7) 0.019(2) Uani 1 1 d .
C8 C 1.3306(7) 0.7743(7) 0.3021(7) 0.027(2) Uani 1 1 d .
H8A H 1.2671 0.7216 0.3123 0.032 Uiso 1 1 calc R
C9 C 1.4060(7) 0.6942(8) 0.2307(8) 0.036(2) Uani 1 1 d .
H9A H 1.3638 0.6308 0.1566 0.054 Uiso 1 1 calc R
H9B H 1.4337 0.6592 0.2739 0.054 Uiso 1 1 calc R
H9C H 1.4685 0.7415 0.2162 0.054 Uiso 1 1 calc R
C10 C 1.3823(7) 0.8707(7) 0.4220(7) 0.035(3) Uani 1 1 d .
H10A H 1.3295 0.9191 0.4595 0.053 Uiso 1 1 calc R
H10B H 1.4490 0.9210 0.4169 0.053 Uiso 1 1 calc R
H10C H 1.4022 0.8349 0.4679 0.053 Uiso 1 1 calc R
C11 C 1.0558(6) 0.8335(7) 0.0722(7) 0.022(2) Uani 1 1 d .
H11A H 0.9995 0.7742 0.0818 0.026 Uiso 1 1 calc R
C12 C 1.0179(7) 0.9496(7) 0.1253(7) 0.029(2) Uani 1 1 d .
H12A H 1.0075 0.9739 0.2062 0.043 Uiso 1 1 calc R
H12B H 0.9478 0.9381 0.0815 0.043 Uiso 1 1 calc R
H12C H 1.0741 1.0114 0.1223 0.043 Uiso 1 1 calc R
C13 C 1.0624(7) 0.7830(7) -0.0574(7) 0.029(2) Uani 1 1 d .
H13A H 1.0874 0.7091 -0.0872 0.043 Uiso 1 1 calc R
H13B H 1.1149 0.8406 -0.0701 0.043 Uiso 1 1 calc R
H13C H 0.9891 0.7670 -0.0982 0.043 Uiso 1 1 calc R
C14 C 1.0924(6) 0.6623(7) 0.4607(7) 0.021(2) Uani 1 1 d .
C15 C 1.1035(6) 0.7781(8) 0.4828(8) 0.027(2) Uani 1 1 d .
H15A H 1.0906 0.7942 0.4213 0.033 Uiso 1 1 calc R
C16 C 1.1338(7) 0.8700(8) 0.5961(8) 0.032(2) Uani 1 1 d .
H16A H 1.1400 0.9492 0.6111 0.039 Uiso 1 1 calc R
C17 C 1.1553(7) 0.8510(8) 0.6883(8) 0.033(2) Uani 1 1 d .
H17A H 1.1782 0.9154 0.7649 0.039 Uiso 1 1 calc R
C18 C 1.1421(7) 0.7327(8) 0.6645(7) 0.028(2) Uani 1 1 d .
H18A H 1.1546 0.7162 0.7258 0.034 Uiso 1 1 calc R
C19 C 1.1109(6) 0.6403(7) 0.5518(7) 0.023(2) Uani 1 1 d .
H19A H 1.1020 0.5608 0.5365 0.027 Uiso 1 1 calc R
C20 C 0.7099(6) 0.5572(7) 0.3348(7) 0.019(2) Uani 1 1 d .
C21 C 0.5319(7) 0.5399(7) 0.3696(7) 0.018(2) Uani 1 1 d .
C22 C 0.4174(6) 0.5065(7) 0.3638(7) 0.024(2) Uani 1 1 d .
H22A H 0.3739 0.4374 0.2988 0.029 Uiso 1 1 calc R
C23 C 0.3702(7) 0.5792(8) 0.4576(7) 0.026(2) Uani 1 1 d .
H23A H 0.2923 0.5600 0.4563 0.031 Uiso 1 1 calc R
C24 C 0.4331(8) 0.6785(8) 0.5527(8) 0.035(2) Uani 1 1 d .
H24A H 0.3973 0.7249 0.6156 0.042 Uiso 1 1 calc R
C25 C 0.5471(7) 0.7131(7) 0.5597(7) 0.025(2) Uani 1 1 d .
H25A H 0.5901 0.7819 0.6254 0.030 Uiso 1 1 calc R
C26 C 0.5949(7) 0.6410(7) 0.4649(8) 0.024(2) Uani 1 1 d .
C27 C 0.8035(7) 0.7385(8) 0.5164(7) 0.032(2) Uani 1 1 d .
H27A H 0.8682 0.7175 0.4740 0.038 Uiso 1 1 calc R
C28 C 0.8236(7) 0.7356(8) 0.6285(7) 0.034(2) Uani 1 1 d .
H28A H 0.8261 0.6549 0.6106 0.051 Uiso 1 1 calc R
H28B H 0.7635 0.7595 0.6747 0.051 Uiso 1 1 calc R
H28C H 0.8942 0.7904 0.6725 0.051 Uiso 1 1 calc R
C29 C 0.7978(7) 0.8629(7) 0.5354(8) 0.035(2) Uani 1 1 d .
H29A H 0.7849 0.8589 0.4600 0.052 Uiso 1 1 calc R
H29B H 0.8678 0.9200 0.5783 0.052 Uiso 1 1 calc R
H29C H 0.7370 0.8885 0.5798 0.052 Uiso 1 1 calc R
C30 C 0.5650(6) 0.3855(7) 0.1747(7) 0.021(2) Uani 1 1 d .
H30A H 0.4930 0.3396 0.1797 0.025 Uiso 1 1 calc R
C31 C 0.5419(7) 0.4298(7) 0.0900(7) 0.033(2) Uani 1 1 d .
H31A H 0.4883 0.4794 0.1181 0.049 Uiso 1 1 calc R
H31B H 0.5116 0.3617 0.0133 0.049 Uiso 1 1 calc R
H31C H 0.6109 0.4766 0.0844 0.049 Uiso 1 1 calc R
C32 C 0.6427(7) 0.3040(7) 0.1352(7) 0.028(2) Uani 1 1 d .
H32A H 0.6628 0.2874 0.1971 0.041 Uiso 1 1 calc R
H32B H 0.7096 0.3419 0.1169 0.041 Uiso 1 1 calc R
H32C H 0.6065 0.2295 0.0659 0.041 Uiso 1 1 calc R
C33 C 0.7912(6) 0.6482(7) 0.0506(7) 0.021(2) Uani 1 1 d .
C34 C 0.7750(6) 0.6617(7) -0.0466(8) 0.027(2) Uani 1 1 d .
H34A H 0.7950 0.6084 -0.1184 0.033 Uiso 1 1 calc R
C35 C 0.7295(6) 0.7528(7) -0.0382(7) 0.023(2) Uani 1 1 d .
H35A H 0.7202 0.7626 -0.1044 0.027 Uiso 1 1 calc R
C36 C 0.6974(7) 0.8299(7) 0.0645(8) 0.027(2) Uani 1 1 d .
H36A H 0.6656 0.8916 0.0687 0.033 Uiso 1 1 calc R
C37 C 0.7122(6) 0.8164(7) 0.1615(8) 0.026(2) Uani 1 1 d .
H37A H 0.6899 0.8686 0.2324 0.032 Uiso 1 1 calc R
C38 C 0.7601(6) 0.7254(7) 0.1548(7) 0.025(2) Uani 1 1 d .
H38A H 0.7711 0.7168 0.2214 0.030 Uiso 1 1 calc R
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'
Se Se -0.0929 2.2259 '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'
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
C1 Ag1 Se1 128.7(2) . .
C1 Ag1 Se2 125.5(2) . .
Se1 Ag1 Se2 102.75(3) . .
C1 Ag1 Se2 93.81(19) . 2_765
Se1 Ag1 Se2 107.97(4) . 2_765
Se2 Ag1 Se2 85.20(3) . 2_765
C1 Ag1 Ag2 142.08(19) . .
Se1 Ag1 Ag2 54.02(3) . .
Se2 Ag1 Ag2 55.74(3) . .
Se2 Ag1 Ag2 122.62(3) 2_765 .
C20 Ag2 Se1 136.0(2) . .
C20 Ag2 Se2 119.1(2) . .
Se1 Ag2 Se2 104.83(3) . .
C20 Ag2 Ag1 154.3(2) . .
Se1 Ag2 Ag1 55.39(3) . .
Se2 Ag2 Ag1 56.75(3) . .
C14 Se1 Ag2 99.7(2) . .
C14 Se1 Ag1 104.4(3) . .
Ag2 Se1 Ag1 70.59(3) . .
C33 Se2 Ag2 105.5(2) . .
C33 Se2 Ag1 108.6(2) . .
Ag2 Se2 Ag1 67.51(3) . .
C33 Se2 Ag1 121.1(2) . 2_765
Ag2 Se2 Ag1 133.42(4) . 2_765
Ag1 Se2 Ag1 94.80(3) . 2_765
C1 N1 C2 111.9(6) . .
C1 N1 C8 122.3(6) . .
C2 N1 C8 125.8(7) . .
C1 N2 C7 112.0(6) . .
C1 N2 C11 122.4(6) . .
C7 N2 C11 125.5(7) . .
C20 N3 C26 111.1(7) . .
C20 N3 C27 122.2(7) . .
C26 N3 C27 126.7(7) . .
C20 N4 C21 110.1(6) . .
C20 N4 C30 128.1(7) . .
C21 N4 C30 121.5(6) . .
N2 C1 N1 104.9(6) . .
N2 C1 Ag1 127.9(5) . .
N1 C1 Ag1 124.3(5) . .
N1 C2 C7 107.2(7) . .
N1 C2 C3 132.5(8) . .
C7 C2 C3 120.3(8) . .
C4 C3 C2 117.2(8) . .
C4 C3 H3A 121.4 . .
C2 C3 H3A 121.4 . .
C3 C4 C5 121.1(8) . .
C3 C4 H4A 119.4 . .
C5 C4 H4A 119.4 . .
C6 C5 C4 121.3(8) . .
C6 C5 H5A 119.4 . .
C4 C5 H5A 119.4 . .
C7 C6 C5 118.4(8) . .
C7 C6 H6A 120.8 . .
C5 C6 H6A 120.8 . .
C6 C7 C2 121.7(8) . .
C6 C7 N2 134.3(8) . .
C2 C7 N2 103.9(7) . .
N1 C8 C10 111.5(7) . .
N1 C8 C9 110.3(7) . .
C10 C8 C9 115.3(8) . .
N1 C8 H8A 106.4 . .
C10 C8 H8A 106.4 . .
C9 C8 H8A 106.4 . .
C8 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C8 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C8 C10 H10A 109.5 . .
C8 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C8 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
N2 C11 C13 111.3(6) . .
N2 C11 C12 110.5(6) . .
C13 C11 C12 112.6(7) . .
N2 C11 H11A 107.4 . .
C13 C11 H11A 107.4 . .
C12 C11 H11A 107.4 . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C11 C13 H13A 109.5 . .
C11 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C11 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C15 C14 C19 119.8(8) . .
C15 C14 Se1 122.1(6) . .
C19 C14 Se1 118.1(6) . .
C14 C15 C16 118.9(8) . .
C14 C15 H15A 120.5 . .
C16 C15 H15A 120.5 . .
C15 C16 C17 122.6(9) . .
C15 C16 H16A 118.7 . .
C17 C16 H16A 118.7 . .
C16 C17 C18 117.7(8) . .
C16 C17 H17A 121.2 . .
C18 C17 H17A 121.2 . .
C19 C18 C17 120.1(8) . .
C19 C18 H18A 120.0 . .
C17 C18 H18A 120.0 . .
C14 C19 C18 120.9(8) . .
C14 C19 H19A 119.5 . .
C18 C19 H19A 119.5 . .
N3 C20 N4 106.4(7) . .
N3 C20 Ag2 124.8(6) . .
N4 C20 Ag2 128.7(6) . .
C26 C21 N4 106.8(7) . .
C26 C21 C22 121.3(8) . .
N4 C21 C22 131.9(8) . .
C23 C22 C21 116.7(8) . .
C23 C22 H22A 121.7 . .
C21 C22 H22A 121.7 . .
C24 C23 C22 121.8(8) . .
C24 C23 H23A 119.1 . .
C22 C23 H23A 119.1 . .
C23 C24 C25 122.2(8) . .
C23 C24 H24A 118.9 . .
C25 C24 H24A 118.9 . .
C26 C25 C24 116.2(8) . .
C26 C25 H25A 121.9 . .
C24 C25 H25A 121.9 . .
C21 C26 C25 121.8(8) . .
C21 C26 N3 105.7(7) . .
C25 C26 N3 132.6(8) . .
N3 C27 C28 111.8(7) . .
N3 C27 C29 110.8(7) . .
C28 C27 C29 113.5(7) . .
N3 C27 H27A 106.8 . .
C28 C27 H27A 106.8 . .
C29 C27 H27A 106.8 . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C27 C29 H29A 109.5 . .
C27 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C27 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
N4 C30 C32 112.6(6) . .
N4 C30 C31 108.4(6) . .
C32 C30 C31 112.9(7) . .
N4 C30 H30A 107.6 . .
C32 C30 H30A 107.6 . .
C31 C30 H30A 107.6 . .
C30 C31 H31A 109.5 . .
C30 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C30 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C30 C32 H32A 109.5 . .
C30 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C30 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C38 C33 C34 119.7(8) . .
C38 C33 Se2 120.6(6) . .
C34 C33 Se2 119.7(6) . .
C35 C34 C33 119.8(8) . .
C35 C34 H34A 120.1 . .
C33 C34 H34A 120.1 . .
C36 C35 C34 121.3(8) . .
C36 C35 H35A 119.4 . .
C34 C35 H35A 119.4 . .
C35 C36 C37 119.3(8) . .
C35 C36 H36A 120.3 . .
C37 C36 H36A 120.3 . .
C36 C37 C38 120.1(8) . .
C36 C37 H37A 120.0 . .
C38 C37 H37A 120.0 . .
C33 C38 C37 119.9(8) . .
C33 C38 H38A 120.1 . .
C37 C38 H38A 120.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 C1 2.168(8) .
Ag1 Se1 2.6501(12) .
Ag1 Se2 2.7489(12) .
Ag1 Se2 2.8507(12) 2_765
Ag1 Ag2 3.0371(10) .
Ag2 C20 2.166(8) .
Ag2 Se1 2.6059(12) .
Ag2 Se2 2.7168(13) .
Se1 C14 1.940(8) .
Se2 C33 1.926(8) .
Se2 Ag1 2.8507(12) 2_765
N1 C1 1.359(9) .
N1 C2 1.384(9) .
N1 C8 1.477(10) .
N2 C1 1.359(9) .
N2 C7 1.424(9) .
N2 C11 1.482(9) .
N3 C20 1.353(9) .
N3 C26 1.398(9) .
N3 C27 1.481(10) .
N4 C20 1.357(9) .
N4 C21 1.401(9) .
N4 C30 1.484(9) .
C2 C7 1.402(11) .
C2 C3 1.412(10) .
C3 C4 1.374(11) .
C3 H3A 0.9500 .
C4 C5 1.412(11) .
C4 H4A 0.9500 .
C5 C6 1.364(10) .
C5 H5A 0.9500 .
C6 C7 1.363(11) .
C6 H6A 0.9500 .
C8 C10 1.504(11) .
C8 C9 1.538(11) .
C8 H8A 1.0000 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 C13 1.527(10) .
C11 C12 1.526(10) .
C11 H11A 1.0000 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 C15 1.385(11) .
C14 C19 1.390(11) .
C15 C16 1.388(11) .
C15 H15A 0.9500 .
C16 C17 1.387(12) .
C16 H16A 0.9500 .
C17 C18 1.408(11) .
C17 H17A 0.9500 .
C18 C19 1.385(10) .
C18 H18A 0.9500 .
C19 H19A 0.9500 .
C21 C26 1.388(11) .
C21 C22 1.395(10) .
C22 C23 1.387(11) .
C22 H22A 0.9500 .
C23 C24 1.377(11) .
C23 H23A 0.9500 .
C24 C25 1.388(11) .
C24 H24A 0.9500 .
C25 C26 1.397(11) .
C25 H25A 0.9500 .
C27 C28 1.516(11) .
C27 C29 1.552(11) .
C27 H27A 1.0000 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 C32 1.501(10) .
C30 C31 1.532(11) .
C30 H30A 1.0000 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 C38 1.388(10) .
C33 C34 1.394(11) .
C34 C35 1.384(11) .
C34 H34A 0.9500 .
C35 C36 1.381(11) .
C35 H35A 0.9500 .
C36 C37 1.389(11) .
C36 H36A 0.9500 .
C37 C38 1.407(11) .
C37 H37A 0.9500 .
C38 H38A 0.9500 .
