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#$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301853 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/59/7105912.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_7105912
loop_
_publ_author_name
'Di Sun'
'Geng-Geng Luo'
'Na Zhang'
'Rong-Bin Huang'
'Lan-Sun Zheng'
_publ_section_title
;
 Simultaneous self-Cassembly of a cage-Clike silver(I) complex
 encapsulating an Ag6 neutral cluster core and carbon dioxide fixation
;
_journal_name_full               Chem.Commun.
_journal_page_first              1461
_journal_paper_doi               10.1039/c0cc04391e
_journal_volume                  47
_journal_year                    2011
_chemical_formula_moiety         'C74 H64 Ag4 Cl2 O12 P6, 2(C3 H7 N O) '
_chemical_formula_sum            'C80 H78 Ag4 Cl2 N2 O14 P6'
_chemical_formula_weight         1979.64
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.14(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.453(2)
_cell_length_b                   15.193(3)
_cell_length_c                   23.416(5)
_cell_measurement_reflns_used    18666
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      54.98
_cell_measurement_theta_min      5.99
_cell_volume                     4042.9(14)
_computing_cell_refinement       'SMART (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       'phi and omega scan'
_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  0.0788
_diffrn_reflns_av_sigmaI/netI    0.0630
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            31261
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.99
_exptl_absorpt_coefficient_mu    1.203
_exptl_absorpt_correction_T_max  0.8892
_exptl_absorpt_correction_T_min  0.7949
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2002)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.626
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1992
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         3.852
_refine_diff_density_min         -1.323
_refine_diff_density_rms         0.181
_refine_ls_extinction_coef       0.0017(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.144
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     463
_refine_ls_number_reflns         7115
_refine_ls_number_restraints     23
_refine_ls_restrained_S_all      1.146
_refine_ls_R_factor_all          0.1325
_refine_ls_R_factor_gt           0.0837
_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)+(0.1370P)²+9.8827P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2307
_refine_ls_wR_factor_ref         0.2748
_reflns_number_gt                4170
_reflns_number_total             7115
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CC04391E.TXT
_cod_data_source_block           p2
_cod_original_cell_volume        4043.2(14)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7105912
loop_
_symmetry_equiv_pos_as_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'
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 0.96320(8) 1.07860(5) -0.08914(4) 0.0567(3) Uani 1 1 d . . .
Ag2 Ag 0.83361(8) 1.08068(5) 0.02523(4) 0.0559(3) Uani 1 1 d . . .
P1 P 0.8699(2) 1.21392(16) -0.11654(11) 0.0464(7) Uani 1 1 d . . .
P2 P 0.7415(2) 1.21460(16) -0.00759(12) 0.0471(7) Uani 1 1 d . . .
P3 P 0.8699(2) 0.89353(17) -0.04004(12) 0.0456(6) Uani 1 1 d . . .
C1 C 0.5957(10) 1.2025(6) -0.0458(5) 0.056(3) Uani 1 1 d . . .
C2 C 0.5282(13) 1.2728(9) -0.0688(8) 0.098(5) Uani 1 1 d . . .
H2A H 0.5563 1.3298 -0.0626 0.117 Uiso 1 1 calc R . .
C3 C 0.4201(13) 1.2594(11) -0.1007(8) 0.100(5) Uani 1 1 d . . .
H3A H 0.3778 1.3075 -0.1167 0.120 Uiso 1 1 calc R . .
C4 C 0.3750(13) 1.1784(11) -0.1090(6) 0.084(4) Uani 1 1 d . . .
H4A H 0.3008 1.1707 -0.1295 0.101 Uiso 1 1 calc R . .
C5 C 0.4361(14) 1.1100(11) -0.0880(9) 0.110(6) Uani 1 1 d . . .
H5A H 0.4051 1.0538 -0.0943 0.132 Uiso 1 1 calc R . .
C6 C 0.5472(12) 1.1206(9) -0.0562(7) 0.080(4) Uani 1 1 d . . .
H6A H 0.5889 1.0711 -0.0420 0.096 Uiso 1 1 calc R . .
C7 C 0.7342(10) 0.8982(7) -0.0861(5) 0.051(3) Uani 1 1 d . . .
C8 C 0.7299(14) 0.8994(8) -0.1458(5) 0.073(3) Uani 1 1 d . . .
H8A H 0.7989 0.9026 -0.1629 0.087 Uiso 1 1 calc R . .
C9 C 0.6212(16) 0.8958(10) -0.1796(7) 0.090(5) Uani 1 1 d . . .
H9A H 0.6190 0.8974 -0.2194 0.108 Uiso 1 1 calc R . .
C10 C 0.5199(17) 0.8900(10) -0.1572(8) 0.097(5) Uani 1 1 d . . .
H10A H 0.4489 0.8886 -0.1812 0.117 Uiso 1 1 calc R . .
C11 C 0.5206(12) 0.8863(9) -0.0990(8) 0.084(4) Uani 1 1 d . . .
H11A H 0.4506 0.8804 -0.0831 0.101 Uiso 1 1 calc R . .
C12 C 0.6273(12) 0.8914(8) -0.0638(6) 0.071(3) Uani 1 1 d . . .
H12A H 0.6273 0.8904 -0.0241 0.085 Uiso 1 1 calc R . .
C13 C 0.8959(9) 0.7771(6) -0.0329(5) 0.052(3) Uani 1 1 d . . .
C14 C 0.9510(12) 0.7337(8) -0.0750(6) 0.075(4) Uani 1 1 d . . .
H14A H 0.9805 0.7647 -0.1043 0.090 Uiso 1 1 calc R . .
C15 C 0.9602(16) 0.6415(10) -0.0713(9) 0.107(6) Uani 1 1 d . . .
H15A H 0.9972 0.6116 -0.0988 0.128 Uiso 1 1 calc R . .
C16 C 0.9180(18) 0.5951(10) -0.0300(10) 0.116(8) Uani 1 1 d . . .
H16A H 0.9253 0.5341 -0.0291 0.139 Uiso 1 1 calc R . .
C17 C 0.8634(16) 0.6382(10) 0.0114(8) 0.098(5) Uani 1 1 d . . .
H17A H 0.8342 0.6057 0.0401 0.118 Uiso 1 1 calc R . .
C18 C 0.8513(13) 0.7307(8) 0.0111(6) 0.078(4) Uani 1 1 d . . .
H18A H 0.8149 0.7596 0.0391 0.094 Uiso 1 1 calc R . .
C19 C 0.9667(10) 1.2903(7) -0.1476(4) 0.051(3) Uani 1 1 d . . .
C20 C 1.0581(11) 1.2542(8) -0.1750(5) 0.063(3) Uani 1 1 d . . .
H20A H 1.0662 1.1934 -0.1772 0.075 Uiso 1 1 calc R . .
C21 C 1.1369(13) 1.3093(11) -0.1987(6) 0.085(4) Uani 1 1 d . . .
H21A H 1.1967 1.2847 -0.2170 0.103 Uiso 1 1 calc R . .
C22 C 1.1279(14) 1.3968(10) -0.1956(6) 0.078(4) Uani 1 1 d . . .
H22A H 1.1805 1.4327 -0.2119 0.094 Uiso 1 1 calc R . .
C23 C 1.0382(15) 1.4339(8) -0.1675(7) 0.086(5) Uani 1 1 d . . .
H23A H 1.0321 1.4948 -0.1648 0.104 Uiso 1 1 calc R . .
C24 C 0.9602(12) 1.3815(8) -0.1443(5) 0.067(3) Uani 1 1 d . . .
H24A H 0.9014 1.4071 -0.1258 0.081 Uiso 1 1 calc R . .
C25 C 0.7415(11) 1.2087(7) -0.1706(5) 0.060(3) Uani 1 1 d . . .
C26 C 0.6890(19) 1.1300(10) -0.1836(8) 0.122(7) Uani 1 1 d . . .
H26A H 0.7227 1.0785 -0.1676 0.146 Uiso 1 1 calc R . .
C27 C 0.584(2) 1.1263(16) -0.2210(10) 0.142(8) Uani 1 1 d U . .
H27A H 0.5425 1.0736 -0.2264 0.170 Uiso 1 1 calc R . .
C28 C 0.5436(16) 1.1984(13) -0.2489(7) 0.105(5) Uani 1 1 d . . .
H28A H 0.4779 1.1946 -0.2765 0.126 Uiso 1 1 calc R . .
C29 C 0.5937(15) 1.2732(13) -0.2385(7) 0.103(5) Uani 1 1 d . . .
H29A H 0.5639 1.3229 -0.2585 0.124 Uiso 1 1 calc R . .
C30 C 0.6908(16) 1.2808(10) -0.1980(8) 0.111(6) Uani 1 1 d . . .
H30A H 0.7226 1.3362 -0.1892 0.133 Uiso 1 1 calc R . .
C31 C 0.7268(10) 1.2931(7) 0.0506(5) 0.056(3) Uani 1 1 d . . .
C32 C 0.7387(11) 1.2625(9) 0.1054(5) 0.070(3) Uani 1 1 d . . .
H32A H 0.7559 1.2034 0.1127 0.084 Uiso 1 1 calc R . .
C33 C 0.7253(14) 1.3186(12) 0.1501(6) 0.090(5) Uani 1 1 d . . .
H33A H 0.7335 1.2977 0.1877 0.107 Uiso 1 1 calc R . .
C34 C 0.6990(17) 1.4079(11) 0.1388(7) 0.106(6) Uani 1 1 d . . .
H34A H 0.6867 1.4454 0.1689 0.127 Uiso 1 1 calc R . .
C35 C 0.6915(15) 1.4401(10) 0.0837(7) 0.090(4) Uani 1 1 d U . .
H35A H 0.6781 1.4997 0.0764 0.108 Uiso 1 1 calc R . .
C36 C 0.7044(13) 1.3819(8) 0.0393(5) 0.074(4) Uani 1 1 d . . .
H36A H 0.6980 1.4024 0.0016 0.089 Uiso 1 1 calc R . .
C37 C 0.8195(9) 1.2783(6) -0.0558(4) 0.043(2) Uani 1 1 d . . .
H37A H 0.8877 1.3051 -0.0338 0.052 Uiso 1 1 calc R . .
H37B H 0.7686 1.3256 -0.0719 0.052 Uiso 1 1 calc R . .
C38 C 0.594(4) 1.644(2) -0.1980(9) 0.30(2) Uiso 1 1 d D . .
H38A H 0.6033 1.6076 -0.2308 0.453 Uiso 1 1 calc R . .
H38B H 0.6461 1.6935 -0.1975 0.453 Uiso 1 1 calc R . .
H38C H 0.5144 1.6638 -0.2003 0.453 Uiso 1 1 calc R . .
C39 C 0.612(4) 1.636(2) -0.0914(9) 0.274(18) Uiso 1 1 d D . .
H39A H 0.6371 1.5969 -0.0602 0.411 Uiso 1 1 calc R . .
H39B H 0.5308 1.6518 -0.0901 0.411 Uiso 1 1 calc R . .
H39C H 0.6593 1.6882 -0.0880 0.411 Uiso 1 1 calc R . .
C40 C 0.665(4) 1.5102(17) -0.1464(10) 0.35(3) Uiso 1 1 d D . .
H40A H 0.6832 1.4851 -0.1804 0.426 Uiso 1 1 calc R . .
N1 N 0.6232(16) 1.5928(10) -0.1457(8) 0.126(5) Uiso 1 1 d D . .
O1 O 1.0361(15) 1.0109(11) -0.1856(6) 0.164(7) Uani 1 1 d . . .
O2 O 1.1581(15) 0.8975(8) -0.2112(7) 0.148(6) Uani 1 1 d . . .
O3 O 1.2151(14) 1.0412(9) -0.2171(5) 0.135(5) Uani 1 1 d . . .
O4 O 1.2094(12) 0.9726(9) -0.1289(5) 0.125(4) Uani 1 1 d U . .
O5 O 0.9663(6) 0.9336(4) -0.0704(3) 0.0510(17) Uani 1 1 d . . .
O6 O 0.8545(6) 0.9317(4) 0.0181(3) 0.0473(16) Uani 1 1 d . . .
O7 O 0.6783(13) 1.4675(9) -0.1002(6) 0.129(4) Uiso 1 1 d D . .
Cl1 Cl 1.1516(3) 0.9804(2) -0.18635(14) 0.0743(9) Uani 1 1 d . . .
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
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
O5 Ag1 P1 154.16(19) . . y
O5 Ag1 O6 79.5(2) . 3_775 y
P1 Ag1 O6 122.99(16) . 3_775 y
O5 Ag1 Ag2 81.08(19) . . y
P1 Ag1 Ag2 88.72(7) . . y
O6 Ag1 Ag2 83.15(16) 3_775 . y
O6 Ag2 P2 150.62(19) . . y
O6 Ag2 O5 80.8(2) . 3_775 y
P2 Ag2 O5 125.34(17) . 3_775 y
O6 Ag2 Ag1 82.31(18) . . y
P2 Ag2 Ag1 88.36(7) . . y
O5 Ag2 Ag1 81.54(18) 3_775 . y
C19 P1 C25 103.3(5) . . ?
C19 P1 C37 103.3(4) . . ?
C25 P1 C37 104.6(5) . . ?
C19 P1 Ag1 112.7(4) . . ?
C25 P1 Ag1 116.7(4) . . ?
C37 P1 Ag1 114.8(3) . . ?
C1 P2 C37 104.1(5) . . ?
C1 P2 C31 105.7(5) . . ?
C37 P2 C31 102.4(5) . . ?
C1 P2 Ag2 114.8(3) . . ?
C37 P2 Ag2 115.3(3) . . ?
C31 P2 Ag2 113.2(4) . . ?
O6 P3 O5 116.3(4) . . ?
O6 P3 C7 109.9(5) . . ?
O5 P3 C7 109.4(5) . . ?
O6 P3 C13 109.3(5) . . ?
O5 P3 C13 108.5(5) . . ?
C7 P3 C13 102.5(5) . . ?
C6 C1 C2 115.8(12) . . ?
C6 C1 P2 120.6(9) . . ?
C2 C1 P2 123.4(9) . . ?
C3 C2 C1 121.1(13) . . ?
C3 C2 H2A 119.5 . . ?
C1 C2 H2A 119.5 . . ?
C4 C3 C2 121.2(14) . . ?
C4 C3 H3A 119.4 . . ?
C2 C3 H3A 119.4 . . ?
C5 C4 C3 119.6(15) . . ?
C5 C4 H4A 120.2 . . ?
C3 C4 H4A 120.2 . . ?
C4 C5 C6 121.0(15) . . ?
C4 C5 H5A 119.5 . . ?
C6 C5 H5A 119.5 . . ?
C1 C6 C5 121.2(14) . . ?
C1 C6 H6A 119.4 . . ?
C5 C6 H6A 119.4 . . ?
C8 C7 C12 117.0(12) . . ?
C8 C7 P3 121.8(10) . . ?
C12 C7 P3 120.8(9) . . ?
C9 C8 C7 119.1(14) . . ?
C9 C8 H8A 120.4 . . ?
C7 C8 H8A 120.4 . . ?
C10 C9 C8 122.8(15) . . ?
C10 C9 H9A 118.6 . . ?
C8 C9 H9A 118.6 . . ?
C9 C10 C11 119.8(16) . . ?
C9 C10 H10A 120.1 . . ?
C11 C10 H10A 120.1 . . ?
C10 C11 C12 119.2(15) . . ?
C10 C11 H11A 120.4 . . ?
C12 C11 H11A 120.4 . . ?
C11 C12 C7 122.0(13) . . ?
C11 C12 H12A 119.0 . . ?
C7 C12 H12A 119.0 . . ?
C18 C13 C14 121.3(11) . . ?
C18 C13 P3 119.6(9) . . ?
C14 C13 P3 118.8(9) . . ?
C13 C14 C15 117.6(15) . . ?
C13 C14 H14A 121.2 . . ?
C15 C14 H14A 121.2 . . ?
C16 C15 C14 122.6(17) . . ?
C16 C15 H15A 118.7 . . ?
C14 C15 H15A 118.7 . . ?
C15 C16 C17 119.6(15) . . ?
C15 C16 H16A 120.2 . . ?
C17 C16 H16A 120.2 . . ?
C16 C17 C18 121.3(16) . . ?
C16 C17 H17A 119.3 . . ?
C18 C17 H17A 119.3 . . ?
C13 C18 C17 117.5(14) . . ?
C13 C18 H18A 121.2 . . ?
C17 C18 H18A 121.2 . . ?
C24 C19 C20 117.6(10) . . ?
C24 C19 P1 125.0(9) . . ?
C20 C19 P1 117.3(8) . . ?
C21 C20 C19 120.1(12) . . ?
C21 C20 H20A 119.9 . . ?
C19 C20 H20A 119.9 . . ?
C22 C21 C20 121.2(13) . . ?
C22 C21 H21A 119.4 . . ?
C20 C21 H21A 119.4 . . ?
C21 C22 C23 119.4(12) . . ?
C21 C22 H22A 120.3 . . ?
C23 C22 H22A 120.3 . . ?
C24 C23 C22 120.4(12) . . ?
C24 C23 H23A 119.8 . . ?
C22 C23 H23A 119.8 . . ?
C23 C24 C19 121.3(12) . . ?
C23 C24 H24A 119.4 . . ?
C19 C24 H24A 119.4 . . ?
C26 C25 C30 116.9(14) . . ?
C26 C25 P1 119.5(11) . . ?
C30 C25 P1 123.6(10) . . ?
C25 C26 C27 119.9(17) . . ?
C25 C26 H26A 120.0 . . ?
C27 C26 H26A 120.0 . . ?
C28 C27 C26 120(2) . . ?
C28 C27 H27A 120.2 . . ?
C26 C27 H27A 120.2 . . ?
C29 C28 C27 121.1(19) . . ?
C29 C28 H28A 119.4 . . ?
C27 C28 H28A 119.4 . . ?
C28 C29 C30 120.7(17) . . ?
C28 C29 H29A 119.7 . . ?
C30 C29 H29A 119.7 . . ?
C25 C30 C29 121.3(16) . . ?
C25 C30 H30A 119.4 . . ?
C29 C30 H30A 119.4 . . ?
C32 C31 C36 120.5(11) . . ?
C32 C31 P2 118.2(9) . . ?
C36 C31 P2 121.3(9) . . ?
C31 C32 C33 120.0(14) . . ?
C31 C32 H32A 120.0 . . ?
C33 C32 H32A 120.0 . . ?
C32 C33 C34 119.8(14) . . ?
C32 C33 H33A 120.1 . . ?
C34 C33 H33A 120.1 . . ?
C35 C34 C33 120.5(13) . . ?
C35 C34 H34A 119.8 . . ?
C33 C34 H34A 119.8 . . ?
C34 C35 C36 118.5(15) . . ?
C34 C35 H35A 120.7 . . ?
C36 C35 H35A 120.7 . . ?
C35 C36 C31 120.6(13) . . ?
C35 C36 H36A 119.7 . . ?
C31 C36 H36A 119.7 . . ?
P2 C37 P1 114.7(5) . . ?
P2 C37 H37A 108.6 . . ?
P1 C37 H37A 108.6 . . ?
P2 C37 H37B 108.6 . . ?
P1 C37 H37B 108.6 . . ?
H37A C37 H37B 107.6 . . ?
N1 C38 H38A 109.5 . . ?
N1 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
N1 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
N1 C39 H39A 109.5 . . ?
N1 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
N1 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
O7 C40 N1 119(2) . . ?
O7 C40 H40A 120.7 . . ?
N1 C40 H40A 120.7 . . ?
C40 N1 C38 122(2) . . ?
C40 N1 C39 120(2) . . ?
C38 N1 C39 117.4(11) . . ?
P3 O5 Ag1 119.4(4) . . ?
P3 O5 Ag2 117.8(4) . 3_775 ?
Ag1 O5 Ag2 99.5(3) . 3_775 ?
P3 O6 Ag2 118.1(4) . . ?
P3 O6 Ag1 113.1(4) . 3_775 ?
Ag2 O6 Ag1 95.7(2) . 3_775 ?
O2 Cl1 O1 113.8(11) . . ?
O2 Cl1 O3 108.6(8) . . ?
O1 Cl1 O3 109.5(9) . . ?
O2 Cl1 O4 105.9(9) . . ?
O1 Cl1 O4 110.0(8) . . ?
O3 Cl1 O4 108.9(8) . . ?
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 O5 2.246(7) . y
Ag1 P1 2.369(3) . y
Ag1 O6 2.508(7) 3_775 y
Ag1 Ag2 3.2192(14) . y
Ag2 O6 2.284(6) . y
Ag2 P2 2.375(3) . y
Ag2 O5 2.412(7) 3_775 y
P1 C19 1.819(10) . ?
P1 C25 1.819(13) . ?
P1 C37 1.875(9) . ?
P2 C1 1.804(12) . ?
P2 C37 1.807(9) . ?
P2 C31 1.835(10) . ?
P3 O6 1.510(7) . ?
P3 O5 1.513(7) . ?
P3 C7 1.780(12) . ?
P3 C13 1.799(10) . ?
C1 C6 1.373(16) . ?
C1 C2 1.387(17) . ?
C2 C3 1.38(2) . ?
C2 H2A 0.9300 . ?
C3 C4 1.34(2) . ?
C3 H3A 0.9300 . ?
C4 C5 1.31(2) . ?
C4 H4A 0.9300 . ?
C5 C6 1.40(2) . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9300 . ?
C7 C8 1.393(16) . ?
C7 C12 1.394(17) . ?
C8 C9 1.39(2) . ?
C8 H8A 0.9300 . ?
C9 C10 1.33(2) . ?
C9 H9A 0.9300 . ?
C10 C11 1.36(2) . ?
C10 H10A 0.9300 . ?
C11 C12 1.389(19) . ?
C11 H11A 0.9300 . ?
C12 H12A 0.9300 . ?
C13 C18 1.396(16) . ?
C13 C14 1.400(16) . ?
C14 C15 1.41(2) . ?
C14 H14A 0.9300 . ?
C15 C16 1.33(3) . ?
C15 H15A 0.9300 . ?
C16 C17 1.38(3) . ?
C16 H16A 0.9300 . ?
C17 C18 1.41(2) . ?
C17 H17A 0.9300 . ?
C18 H18A 0.9300 . ?
C19 C24 1.389(15) . ?
C19 C20 1.405(15) . ?
C20 C21 1.396(18) . ?
C20 H20A 0.9300 . ?
C21 C22 1.34(2) . ?
C21 H21A 0.9300 . ?
C22 C23 1.41(2) . ?
C22 H22A 0.9300 . ?
C23 C24 1.360(19) . ?
C23 H23A 0.9300 . ?
C24 H24A 0.9300 . ?
C25 C26 1.356(18) . ?
C25 C30 1.363(18) . ?
C26 C27 1.40(3) . ?
C26 H26A 0.9300 . ?
C27 C28 1.33(3) . ?
C27 H27A 0.9300 . ?
C28 C29 1.28(2) . ?
C28 H28A 0.9300 . ?
C29 C30 1.37(2) . ?
C29 H29A 0.9300 . ?
C30 H30A 0.9300 . ?
C31 C32 1.355(16) . ?
C31 C36 1.392(16) . ?
C32 C33 1.374(18) . ?
C32 H32A 0.9300 . ?
C33 C34 1.41(2) . ?
C33 H33A 0.9300 . ?
C34 C35 1.37(2) . ?
C34 H34A 0.9300 . ?
C35 C36 1.388(18) . ?
C35 H35A 0.9300 . ?
C36 H36A 0.9300 . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C38 N1 1.451(10) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 N1 1.452(10) . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 O7 1.254(10) . ?
C40 N1 1.343(10) . ?
C40 H40A 0.9300 . ?
O1 Cl1 1.404(14) . ?
O2 Cl1 1.394(11) . ?
O3 Cl1 1.424(11) . ?
O4 Cl1 1.428(13) . ?
O5 Ag2 2.412(7) 3_775 ?
O6 Ag1 2.508(7) 3_775 ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168350408
