#------------------------------------------------------------------------------
#$Date: 2016-02-16 02:10:39 +0100 (mar 16 de feb de 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/10/7051057.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_7051057
loop_
_publ_author_name
'Fei, Bao-Li'
'Sun, Wei-Yin'
'Okamura, Taka-aki'
'Tang, Wen-Xia'
'Ueyama, Norikazu'
_publ_section_title
;
 Synthesis and crystal structure of a luminescent infinite 2D
 brick-wall network with two- and three-coordinate silver(I) atoms and
 ligand-unsupported silver--silver interactions
;
_journal_issue                   2
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              210
_journal_paper_doi               10.1039/b008266j
_journal_volume                  25
_journal_year                    2001
_chemical_formula_moiety         'C31 H40 Ag3 Cl3 N8.50 O2 '
_chemical_formula_sum            'C31 H41.5 Ag3 Cl3 N8.5 O12'
_chemical_formula_weight         1155.18
_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'
_cell_angle_alpha                100.50(3)
_cell_angle_beta                 102.23(2)
_cell_angle_gamma                97.16(2)
_cell_formula_units_Z            2
_cell_length_a                   13.612(2)
_cell_length_b                   15.789(4)
_cell_length_c                   10.172(4)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      16.7
_cell_measurement_theta_min      15.0
_cell_volume                     2070.2(11)
_computing_cell_refinement       WinAFC
_computing_data_collection       WinAFC
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SHELXS97
_diffrn_measured_fraction_theta_full 1.0000
_diffrn_measured_fraction_theta_max 1.0000
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       ω-2θ
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.022
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            10049
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_standards_decay_%        1.21
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.663
_exptl_absorpt_correction_T_max  0.847
_exptl_absorpt_correction_T_min  0.449
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.853
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.500
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.95
_refine_diff_density_min         -0.82
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     513
_refine_ls_number_reflns         9511
_refine_ls_R_factor_gt           0.0421
_refine_ls_shift/su_max          0.0085
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²) + (0.06000(Max(Fo²,0) + 2Fc²)/3)²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1517
_reflns_number_gt                4002
_reflns_number_total             9511
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            b008266j.txt
_cod_data_source_block           '[Ag3(pyCH2NHCH2CH2CH2NHCH2'
_cod_original_cell_volume        2070(1)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C31 H41.50 Ag3 Cl3 N8.50 O12 '
_cod_database_code               7051057
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag(1) Ag 0.65232(4) 0.38757(4) 1.31766(7) 0.0694(2) Uani 1.00 d . . .
Ag(2) Ag 0.21719(4) 0.19245(4) 0.87693(6) 0.0604(2) Uani 1.00 d . . .
Ag(3) Ag 0.49803(6) 0.01378(6) 1.34858(7) 0.0985(3) Uani 1.00 d . . .
Cl(1) Cl 0.8638(2) 0.0575(1) 0.1700(2) 0.0695(6) Uani 1.00 d . . .
Cl(2) Cl 0.2343(2) 0.4312(1) 0.8226(3) 0.0813(7) Uani 1.00 d . . .
Cl(3) Cl 0.6565(2) 0.2291(2) 0.6121(3) 0.0831(7) Uani 1.00 d . . .
O(11) O 0.8643(6) 0.1229(4) 0.2843(7) 0.122(3) Uani 1.00 d . . .
O(12) O 0.7730(5) -0.0022(5) 0.1266(7) 0.124(3) Uani 1.00 d . . .
O(13) O 0.8840(6) 0.0957(4) 0.0612(7) 0.117(3) Uani 1.00 d . . .
O(14) O 0.9425(6) 0.0108(5) 0.2166(10) 0.144(3) Uani 1.00 d . . .
O(21) O 0.2242(5) 0.3848(4) 0.9233(7) 0.115(3) Uani 1.00 d . . .
O(22) O 0.152(1) 0.462(1) 0.773(2) 0.303(9) Uani 1.00 d . . .
O(23) O 0.249(1) 0.3739(8) 0.718(1) 0.257(7) Uani 1.00 d . . .
O(24) O 0.309(1) 0.4910(8) 0.859(1) 0.304(7) Uani 1.00 d . . .
O(31) O 0.6484(6) 0.1566(4) 0.6738(8) 0.122(3) Uani 1.00 d . . .
O(32) O 0.5886(8) 0.2839(6) 0.644(1) 0.175(5) Uani 1.00 d . . .
O(33) O 0.6296(9) 0.2057(6) 0.4691(9) 0.184(5) Uani 1.00 d . . .
O(34) O 0.7521(6) 0.2740(8) 0.652(1) 0.245(6) Uani 1.00 d . . .
N(5) N 0.898(3) 0.435(2) 0.882(4) 0.253(9) Uiso 0.50 d P . .
N(11) N 0.7848(4) 0.4406(3) 1.5208(6) 0.054(2) Uani 1.00 d . . .
N(12) N 0.5035(4) 0.5872(4) 1.6684(6) 0.059(2) Uani 1.00 d . . .
N(21) N 0.7433(4) 0.2936(3) 1.2173(6) 0.053(2) Uani 1.00 d . . .
N(22) N 0.3876(4) 0.2108(4) 0.9318(6) 0.059(2) Uani 1.00 d . . .
N(31) N 0.0767(4) 0.1638(3) 0.6833(5) 0.053(2) Uani 1.00 d . . .
N(32) N 0.3718(5) 0.0433(5) 0.5940(7) 0.075(2) Uani 1.00 d . . .
N(41) N 0.0916(4) 0.1879(3) 1.0018(5) 0.051(2) Uani 1.00 d . . .
N(42) N 0.3763(5) 0.0760(5) 1.2730(6) 0.072(2) Uani 1.00 d . . .
C(1) C 0.8887(4) 0.4311(5) 1.5009(7) 0.057(2) Uani 1.00 d . . .
C(2) C 0.8932(5) 0.3406(5) 1.4187(8) 0.060(2) Uani 1.00 d . . .
C(3) C 0.8548(4) 0.3234(4) 1.2683(8) 0.055(2) Uani 1.00 d . . .
C(4) C -0.0088(5) 0.2097(5) 0.6938(8) 0.064(2) Uani 1.00 d . . .
C(5) C -0.0535(5) 0.1961(6) 0.8116(9) 0.074(3) Uani 1.00 d . . .
C(6) C 0.0114(5) 0.2391(5) 0.9544(8) 0.067(2) Uani 1.00 d . . .
C(10) C 0.7903(5) 0.5307(5) 1.5978(9) 0.074(2) Uani 1.00 d . . .
C(11) C 0.6885(5) 0.5487(4) 1.6221(8) 0.057(2) Uani 1.00 d . . .
C(12) C 0.6264(5) 0.5887(5) 1.5363(8) 0.062(2) Uani 1.00 d . . .
C(13) C 0.5361(5) 0.6078(4) 1.5632(8) 0.060(2) Uani 1.00 d . . .
C(14) C 0.5619(5) 0.5484(5) 1.7533(7) 0.065(2) Uani 1.00 d . . .
C(15) C 0.6543(6) 0.5282(5) 1.7322(8) 0.068(2) Uani 1.00 d . . .
C(20) C 0.7131(5) 0.2652(5) 1.0684(8) 0.073(2) Uani 1.00 d . . .
C(21) C 0.6001(5) 0.2440(5) 1.0165(7) 0.062(2) Uani 1.00 d . . .
C(22) C 0.5439(6) 0.3090(5) 0.9850(9) 0.074(3) Uani 1.00 d . . .
C(23) C 0.4409(6) 0.2895(5) 0.9440(8) 0.069(2) Uani 1.00 d . . .
C(24) C 0.4399(5) 0.1471(5) 0.9587(8) 0.064(2) Uani 1.00 d . . .
C(25) C 0.5448(5) 0.1622(5) 1.0017(8) 0.068(2) Uani 1.00 d . . .
C(30) C 0.1075(6) 0.1663(6) 0.5536(8) 0.075(3) Uani 1.00 d . . .
C(31) C 0.1984(5) 0.1228(5) 0.5549(7) 0.061(2) Uani 1.00 d . . .
C(32) C 0.1911(6) 0.0328(5) 0.5363(9) 0.075(3) Uani 1.00 d . . .
C(33) C 0.2785(7) -0.0036(5) 0.5591(9) 0.075(3) Uani 1.00 d . . .
C(34) C 0.3797(6) 0.1300(6) 0.6062(8) 0.073(3) Uani 1.00 d . . .
C(35) C 0.2950(6) 0.1708(5) 0.5875(8) 0.070(3) Uani 1.00 d . . .
C(40) C 0.1312(6) 0.2133(5) 1.1510(8) 0.068(2) Uani 1.00 d . . .
C(41) C 0.2168(5) 0.1642(5) 1.1954(6) 0.055(2) Uani 1.00 d . . .
C(42) C 0.1980(6) 0.0783(5) 1.1977(7) 0.067(2) Uani 1.00 d . . .
C(43) C 0.2789(7) 0.0353(5) 1.2350(8) 0.073(3) Uani 1.00 d . . .
C(44) C 0.3932(6) 0.1596(7) 1.2678(8) 0.080(3) Uani 1.00 d . . .
C(45) C 0.3173(6) 0.2057(5) 1.2280(7) 0.066(2) Uani 1.00 d . . .
C(51) C 0.961(1) 0.481(1) 0.940(2) 0.168(6) Uiso 1.00 d . . .
H(1) H 0.7728 0.4024 1.5838 0.0692 Uiso 1.00 calc . . .
H(2) H 0.7304 0.2407 1.2505 0.0646 Uiso 1.00 calc . . .
H(3) H 0.0469 0.1030 0.6719 0.0650 Uiso 1.00 calc . . .
H(4) H 0.0577 0.1277 0.9823 0.0616 Uiso 1.00 calc . . .
H(5) H 0.9080 0.4746 1.4511 0.0695 Uiso 1.00 calc . . .
H(6) H 0.9365 0.4441 1.5888 0.0695 Uiso 1.00 calc . . .
H(7) H 0.9628 0.3304 1.4392 0.0711 Uiso 1.00 calc . . .
H(8) H 0.8536 0.2974 1.4517 0.0711 Uiso 1.00 calc . . .
H(9) H 0.8895 0.2814 1.2245 0.0666 Uiso 1.00 calc . . .
H(10) H 0.8714 0.3774 1.2388 0.0666 Uiso 1.00 calc . . .
H(11) H 0.0168 0.2719 0.7063 0.0764 Uiso 1.00 calc . . .
H(12) H -0.0597 0.1932 0.6085 0.0764 Uiso 1.00 calc . . .
H(13) H -0.1184 0.2160 0.8007 0.0873 Uiso 1.00 calc . . .
H(14) H -0.0670 0.1341 0.8072 0.0873 Uiso 1.00 calc . . .
H(15) H -0.0304 0.2468 1.0195 0.0835 Uiso 1.00 calc . . .
H(16) H 0.0444 0.2964 0.9524 0.0835 Uiso 1.00 calc . . .
H(17) H 0.8394 0.5421 1.6854 0.0907 Uiso 1.00 calc . . .
H(18) H 0.8136 0.5713 1.5463 0.0907 Uiso 1.00 calc . . .
H(19) H 0.7401 0.3111 1.0280 0.0881 Uiso 1.00 calc . . .
H(20) H 0.7427 0.2147 1.0393 0.0881 Uiso 1.00 calc . . .
H(21) H 0.0530 0.1384 0.4758 0.0928 Uiso 1.00 calc . . .
H(22) H 0.1244 0.2266 0.5478 0.0928 Uiso 1.00 calc . . .
H(23) H 0.1563 0.2751 1.1790 0.0830 Uiso 1.00 calc . . .
H(24) H 0.0783 0.2008 1.1987 0.0830 Uiso 1.00 calc . . .
H(25) H 0.6476 0.6049 1.4580 0.0781 Uiso 1.00 calc . . .
H(26) H 0.4941 0.6372 1.5036 0.0718 Uiso 1.00 calc . . .
H(27) H 0.5390 0.5347 1.8326 0.0805 Uiso 1.00 calc . . .
H(28) H 0.6942 0.4987 1.7940 0.0804 Uiso 1.00 calc . . .
H(29) H 0.5791 0.3677 0.9933 0.0902 Uiso 1.00 calc . . .
H(30) H 0.4032 0.3353 0.9220 0.0815 Uiso 1.00 calc . . .
H(31) H 0.4028 0.0887 0.9454 0.0758 Uiso 1.00 calc . . .
H(32) H 0.5797 0.1153 1.0232 0.0836 Uiso 1.00 calc . . .
H(33) H 0.1245 -0.0050 0.5099 0.0883 Uiso 1.00 calc . . .
H(34) H 0.2711 -0.0673 0.5457 0.0883 Uiso 1.00 calc . . .
H(35) H 0.4475 0.1649 0.6301 0.0870 Uiso 1.00 calc . . .
H(36) H 0.3037 0.2347 0.5988 0.0877 Uiso 1.00 calc . . .
H(37) H 0.1291 0.0476 1.1718 0.0802 Uiso 1.00 calc . . .
H(38) H 0.2648 -0.0259 1.2343 0.0888 Uiso 1.00 calc . . .
H(39) H 0.4628 0.1907 1.2960 0.0931 Uiso 1.00 calc . . .
H(40) H 0.3329 0.2660 1.2229 0.0802 Uiso 1.00 calc . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
N N 0.006 0.003
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Ag Ag -0.897 1.101
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Cl Cl 0.148 0.159
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
O O 0.011 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N(11) Ag(1) N(12) 116.5(2) 1_555 . 2_668 yes
N(11) Ag(1) N(21) 93.7(2) 1_555 . 1_555 yes
N(12) Ag(1) N(21) 145.3(2) 2_668 . 1_555 yes
N(22) Ag(2) N(31) 141.1(2) 1_555 . 1_555 yes
N(22) Ag(2) N(41) 134.7(2) 1_555 . 1_555 yes
N(31) Ag(2) N(41) 84.1(2) 1_555 . 1_555 yes
Ag(3) Ag(3) N(32) 74.6(2) 2_658 . 2_657 yes
Ag(3) Ag(3) N(42) 111.9(2) 2_658 . 1_555 yes
N(32) Ag(3) N(42) 173.0(3) 2_657 . 1_555 yes
O(11) Cl(1) O(12) 112.4(5) 1_555 . 1_555 yes
O(11) Cl(1) O(13) 110.2(4) 1_555 . 1_555 yes
O(11) Cl(1) O(14) 105.6(5) 1_555 . 1_555 yes
O(12) Cl(1) O(13) 110.9(4) 1_555 . 1_555 yes
O(12) Cl(1) O(14) 107.0(5) 1_555 . 1_555 yes
O(13) Cl(1) O(14) 110.6(5) 1_555 . 1_555 yes
O(21) Cl(2) O(22) 114.0(6) 1_555 . 1_555 yes
O(21) Cl(2) O(23) 105.8(6) 1_555 . 1_555 yes
O(21) Cl(2) O(24) 113.5(7) 1_555 . 1_555 yes
O(22) Cl(2) O(23) 106(1) 1_555 . 1_555 yes
O(22) Cl(2) O(24) 109.6(10) 1_555 . 1_555 yes
O(23) Cl(2) O(24) 108(1) 1_555 . 1_555 yes
O(31) Cl(3) O(32) 111.2(5) 1_555 . 1_555 yes
O(31) Cl(3) O(33) 112.7(6) 1_555 . 1_555 yes
O(31) Cl(3) O(34) 110.6(5) 1_555 . 1_555 yes
O(32) Cl(3) O(33) 103.8(6) 1_555 . 1_555 yes
O(32) Cl(3) O(34) 109.7(8) 1_555 . 1_555 yes
O(33) Cl(3) O(34) 108.6(8) 1_555 . 1_555 yes
Ag(1) N(11) C(1) 114.0(4) 1_555 . 1_555 yes
Ag(1) N(11) C(10) 117.7(4) 1_555 . 1_555 yes
C(1) N(11) C(10) 107.8(5) 1_555 . 1_555 yes
Ag(1) N(12) C(13) 116.7(4) 2_668 . 1_555 yes
Ag(1) N(12) C(14) 124.6(5) 2_668 . 1_555 yes
C(13) N(12) C(14) 118.6(6) 1_555 . 1_555 yes
Ag(1) N(21) C(3) 112.3(4) 1_555 . 1_555 yes
Ag(1) N(21) C(20) 117.1(4) 1_555 . 1_555 yes
C(3) N(21) C(20) 112.0(5) 1_555 . 1_555 yes
Ag(2) N(22) C(23) 119.1(5) 1_555 . 1_555 yes
Ag(2) N(22) C(24) 123.4(5) 1_555 . 1_555 yes
C(23) N(22) C(24) 117.5(6) 1_555 . 1_555 yes
Ag(2) N(31) C(4) 118.0(4) 1_555 . 1_555 yes
Ag(2) N(31) C(30) 112.9(4) 1_555 . 1_555 yes
C(4) N(31) C(30) 111.8(5) 1_555 . 1_555 yes
Ag(3) N(32) C(33) 121.3(6) 2_657 . 1_555 yes
Ag(3) N(32) C(34) 120.8(6) 2_657 . 1_555 yes
C(33) N(32) C(34) 117.4(7) 1_555 . 1_555 yes
Ag(2) N(41) C(6) 111.6(4) 1_555 . 1_555 yes
Ag(2) N(41) C(40) 114.2(4) 1_555 . 1_555 yes
C(6) N(41) C(40) 111.0(5) 1_555 . 1_555 yes
Ag(3) N(42) C(43) 122.4(6) 1_555 . 1_555 yes
Ag(3) N(42) C(44) 120.5(6) 1_555 . 1_555 yes
C(43) N(42) C(44) 117.0(7) 1_555 . 1_555 yes
N(11) C(1) C(2) 113.2(5) 1_555 . 1_555 yes
C(1) C(2) C(3) 117.2(6) 1_555 . 1_555 yes
N(21) C(3) C(2) 115.1(6) 1_555 . 1_555 yes
N(31) C(4) C(5) 113.3(5) 1_555 . 1_555 yes
C(4) C(5) C(6) 116.3(6) 1_555 . 1_555 yes
N(41) C(6) C(5) 111.8(6) 1_555 . 1_555 yes
N(11) C(10) C(11) 112.7(5) 1_555 . 1_555 yes
C(10) C(11) C(12) 121.2(7) 1_555 . 1_555 yes
C(10) C(11) C(15) 121.9(7) 1_555 . 1_555 yes
C(12) C(11) C(15) 116.8(6) 1_555 . 1_555 yes
C(11) C(12) C(13) 120.4(7) 1_555 . 1_555 yes
N(12) C(13) C(12) 122.4(7) 1_555 . 1_555 yes
N(12) C(14) C(15) 121.7(7) 1_555 . 1_555 yes
C(11) C(15) C(14) 120.1(7) 1_555 . 1_555 yes
N(21) C(20) C(21) 111.8(6) 1_555 . 1_555 yes
C(20) C(21) C(22) 120.5(7) 1_555 . 1_555 yes
C(20) C(21) C(25) 123.2(7) 1_555 . 1_555 yes
C(22) C(21) C(25) 116.3(6) 1_555 . 1_555 yes
C(21) C(22) C(23) 119.7(7) 1_555 . 1_555 yes
N(22) C(23) C(22) 123.9(7) 1_555 . 1_555 yes
N(22) C(24) C(25) 121.9(7) 1_555 . 1_555 yes
C(21) C(25) C(24) 120.8(7) 1_555 . 1_555 yes
N(31) C(30) C(31) 108.2(5) 1_555 . 1_555 yes
C(30) C(31) C(32) 121.9(7) 1_555 . 1_555 yes
C(30) C(31) C(35) 121.1(7) 1_555 . 1_555 yes
C(32) C(31) C(35) 116.7(7) 1_555 . 1_555 yes
C(31) C(32) C(33) 119.8(7) 1_555 . 1_555 yes
N(32) C(33) C(32) 123.2(8) 1_555 . 1_555 yes
N(32) C(34) C(35) 122.2(7) 1_555 . 1_555 yes
C(31) C(35) C(34) 120.6(7) 1_555 . 1_555 yes
N(41) C(40) C(41) 109.9(5) 1_555 . 1_555 yes
C(40) C(41) C(42) 121.4(7) 1_555 . 1_555 yes
C(40) C(41) C(45) 120.1(7) 1_555 . 1_555 yes
C(42) C(41) C(45) 118.4(7) 1_555 . 1_555 yes
C(41) C(42) C(43) 119.5(7) 1_555 . 1_555 yes
N(42) C(43) C(42) 122.5(7) 1_555 . 1_555 yes
N(42) C(44) C(45) 123.7(7) 1_555 . 1_555 yes
C(41) C(45) C(44) 118.8(7) 1_555 . 1_555 yes
N(5) C(51) C(51) 153(3) 1_555 . 2_767 yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag(1) N(11) 2.374(5) . . yes
Ag(1) N(12) 2.234(5) . 2_668 yes
Ag(1) N(21) 2.284(5) . . yes
Ag(2) N(22) 2.237(5) . . yes
Ag(2) N(31) 2.368(5) . . yes
Ag(2) N(41) 2.338(5) . . yes
Ag(3) Ag(3) 3.179(1) . 2_658 yes
Ag(3) N(32) 2.108(6) . 2_657 yes
Ag(3) N(42) 2.108(6) . . yes
Cl(1) O(11) 1.406(6) . . yes
Cl(1) O(12) 1.392(6) . . yes
Cl(1) O(13) 1.412(6) . . yes
Cl(1) O(14) 1.422(8) . . yes
Cl(2) O(21) 1.382(6) . . yes
Cl(2) O(22) 1.32(1) . . yes
Cl(2) O(23) 1.333(10) . . yes
Cl(2) O(24) 1.237(10) . . yes
Cl(3) O(31) 1.405(6) . . yes
Cl(3) O(32) 1.390(8) . . yes
Cl(3) O(33) 1.390(9) . . yes
Cl(3) O(34) 1.342(8) . . yes
N(5) C(51) 1.04(4) . . yes
N(11) C(1) 1.492(7) . . yes
N(11) C(10) 1.478(8) . . yes
N(12) C(13) 1.320(9) . . yes
N(12) C(14) 1.333(9) . . yes
N(21) C(3) 1.481(7) . . yes
N(21) C(20) 1.451(9) . . yes
N(22) C(23) 1.329(9) . . yes
N(22) C(24) 1.337(9) . . yes
N(31) C(4) 1.457(8) . . yes
N(31) C(30) 1.472(9) . . yes
N(32) C(33) 1.330(10) . . yes
N(32) C(34) 1.34(1) . . yes
N(41) C(6) 1.489(8) . . yes
N(41) C(40) 1.460(9) . . yes
N(42) C(43) 1.34(1) . . yes
N(42) C(44) 1.32(1) . . yes
C(1) C(2) 1.534(10) . . yes
C(2) C(3) 1.471(10) . . yes
C(4) C(5) 1.49(1) . . yes
C(5) C(6) 1.52(1) . . yes
C(10) C(11) 1.510(9) . . yes
C(11) C(12) 1.376(10) . . yes
C(11) C(15) 1.375(10) . . yes
C(12) C(13) 1.372(9) . . yes
C(14) C(15) 1.386(9) . . yes
C(20) C(21) 1.490(9) . . yes
C(21) C(22) 1.398(10) . . yes
C(21) C(25) 1.38(1) . . yes
C(22) C(23) 1.354(10) . . yes
C(24) C(25) 1.379(9) . . yes
C(30) C(31) 1.487(10) . . yes
C(31) C(32) 1.39(1) . . yes
C(31) C(35) 1.37(1) . . yes
C(32) C(33) 1.38(1) . . yes
C(34) C(35) 1.38(1) . . yes
C(40) C(41) 1.514(9) . . yes
C(41) C(42) 1.354(9) . . yes
C(41) C(45) 1.384(10) . . yes
C(42) C(43) 1.39(1) . . yes
C(44) C(45) 1.37(1) . . yes
C(51) C(51) 1.42(3) . 2_767 yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
Ag(3) Ag(3) 3.179(1) . 2_658 ?
Ag(1) O(24) 2.93(1) . 2_667 ?
Ag(1) O(33) 3.508(10) . 1_556 ?
Ag(2) O(21) 2.973(7) . . ?
Ag(2) O(12) 3.017(8) . 2_656 ?
Ag(2) O(14) 3.493(8) . 2_656 ?
Ag(2) O(23) 3.56(1) . . ?
Ag(3) O(31) 3.084(7) . 2_657 ?
Ag(3) O(33) 3.20(1) . 1_556 ?
Ag(3) N(32) 3.316(6) . 1_556 ?
O(11) C(3) 3.217(9) . 1_554 ?
O(11) C(33) 3.37(1) . 2_656 ?
O(11) C(2) 3.400(9) . 1_554 ?
O(11) C(32) 3.42(1) . 2_656 ?
O(11) N(21) 3.428(9) . 1_554 ?
O(12) C(24) 3.308(9) . 2_656 ?
O(12) C(33) 3.40(1) . 2_656 ?
O(12) C(42) 3.42(1) . 2_656 ?
O(12) C(32) 3.49(1) . 2_656 ?
O(12) C(43) 3.52(1) . 2_656 ?
O(12) N(22) 3.594(9) . 2_656 ?
O(13) C(6) 3.168(10) . 1_654 ?
O(13) N(41) 3.238(8) . 1_654 ?
O(13) C(42) 3.33(1) . 2_656 ?
O(13) C(5) 3.424(10) . 1_654 ?
O(13) C(43) 3.47(1) . 2_656 ?
O(13) C(40) 3.48(1) . 1_654 ?
O(14) N(31) 3.110(9) . 2_656 ?
O(14) N(41) 3.414(10) . 2_656 ?
O(14) C(32) 3.52(1) . 2_656 ?
O(14) C(42) 3.56(1) . 1_654 ?
O(21) C(23) 3.459(10) . . ?
O(21) C(15) 3.48(1) . 2_668 ?
O(21) C(6) 3.57(1) . . ?
O(22) C(51) 3.41(2) . 1_455 ?
O(22) C(1) 3.50(1) . 2_667 ?
O(22) C(3) 3.50(1) . 2_667 ?
O(22) C(51) 3.60(2) . 2_667 ?
O(23) C(35) 3.43(1) . . ?
O(23) C(12) 3.48(1) . 2_667 ?
O(23) C(30) 3.51(2) . . ?
O(24) C(22) 3.43(1) . 2_667 ?
O(31) C(33) 3.46(1) . 2_656 ?
O(31) C(43) 3.522(9) . 2_657 ?
O(31) C(34) 3.53(1) . . ?
O(32) C(13) 3.28(1) . 2_667 ?
O(32) C(34) 3.41(1) . . ?
O(33) C(44) 3.34(1) . 1_554 ?
O(33) C(33) 3.56(1) . 2_656 ?
O(34) N(11) 3.187(10) . 1_554 ?
O(34) N(5) 3.24(4) . . ?
O(34) C(5) 3.30(1) . 1_655 ?
O(34) C(4) 3.49(1) . 1_655 ?
O(34) C(2) 3.58(1) . 1_554 ?
N(32) N(42) 3.410(9) . 1_554 ?
N(32) C(43) 3.576(10) . 1_554 ?
N(42) C(34) 3.330(10) . 1_556 ?
C(1) C(1) 3.51(1) . 2_768 ?
C(31) C(42) 3.571(10) . 1_554 ?
C(32) C(43) 3.52(1) . 1_554 ?
C(33) C(43) 3.46(1) . 1_554 ?
C(34) C(44) 3.60(1) . 1_554 ?
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag(1) N(11) C(1) C(2) -46.0(7) 1_555 1_555 1_555 1_555 yes
Ag(1) N(11) C(10) C(11) 48.4(8) 1_555 1_555 1_555 1_555 yes
Ag(1) N(12) C(13) C(12) 174.3(5) 1_555 2_668 2_668 2_668 yes
Ag(1) N(12) C(14) C(15) -174.5(5) 1_555 2_668 2_668 2_668 yes
Ag(1) N(21) C(3) C(2) 54.7(6) 1_555 1_555 1_555 1_555 yes
Ag(1) N(21) C(20) C(21) -42.3(8) 1_555 1_555 1_555 1_555 yes
Ag(2) N(22) C(23) C(22) 175.7(7) 1_555 1_555 1_555 1_555 yes
Ag(2) N(22) C(24) C(25) -175.3(6) 1_555 1_555 1_555 1_555 yes
Ag(2) N(31) C(4) C(5) -56.3(7) 1_555 1_555 1_555 1_555 yes
Ag(2) N(31) C(30) C(31) 40.9(7) 1_555 1_555 1_555 1_555 yes
Ag(2) N(41) C(6) C(5) 69.5(6) 1_555 1_555 1_555 1_555 yes
Ag(2) N(41) C(40) C(41) -49.4(7) 1_555 1_555 1_555 1_555 yes
Ag(3) Ag(3) N(42) C(43) 72.5(6) 1_555 2_658 2_658 2_658 yes
Ag(3) Ag(3) N(42) C(44) -104.1(6) 1_555 2_658 2_658 2_658 yes
Ag(3) N(32) C(33) C(32) -172.3(6) 1_555 2_657 2_657 2_657 yes
Ag(3) N(32) C(34) C(35) 171.0(6) 1_555 2_657 2_657 2_657 yes
Ag(3) N(42) C(43) C(42) 173.7(5) 1_555 1_555 1_555 1_555 yes
Ag(3) N(42) C(44) C(45) -175.8(6) 1_555 1_555 1_555 1_555 yes
N(5) C(51) C(51) N(5) -180.0 1_555 1_555 2_767 2_767 yes
N(11) Ag(1) N(12) C(13) -49.4(5) 1_555 1_555 2_668 2_668 yes
N(11) Ag(1) N(12) C(14) 126.3(5) 1_555 1_555 2_668 2_668 yes
N(11) Ag(1) N(21) C(3) -26.5(4) 1_555 1_555 1_555 1_555 yes
N(11) Ag(1) N(21) C(20) -158.2(5) 1_555 1_555 1_555 1_555 yes
N(11) C(1) C(2) C(3) 78.3(8) 1_555 1_555 1_555 1_555 yes
N(11) C(10) C(11) C(12) -96.4(8) 1_555 1_555 1_555 1_555 yes
N(11) C(10) C(11) C(15) 85.3(9) 1_555 1_555 1_555 1_555 yes
N(12) Ag(1) N(11) C(1) 173.3(4) 1_555 2_668 2_668 2_668 yes
N(12) Ag(1) N(11) C(10) 45.6(5) 1_555 2_668 2_668 2_668 yes
N(12) Ag(1) N(21) C(3) 178.1(4) 1_555 2_668 2_668 2_668 yes
N(12) Ag(1) N(21) C(20) -50.3(6) 1_555 2_668 2_668 2_668 yes
N(12) C(13) C(12) C(11) -1(1) 1_555 1_555 1_555 1_555 yes
N(12) C(14) C(15) C(11) 0(1) 1_555 1_555 1_555 1_555 yes
N(21) Ag(1) N(11) C(1) 24.3(4) 1_555 1_555 1_555 1_555 yes
N(21) Ag(1) N(11) C(10) 152.0(5) 1_555 1_555 1_555 1_555 yes
N(21) Ag(1) N(12) C(13) 98.5(6) 1_555 1_555 2_668 2_668 yes
N(21) Ag(1) N(12) C(14) -85.8(7) 1_555 1_555 2_668 2_668 yes
N(21) C(3) C(2) C(1) -84.8(7) 1_555 1_555 1_555 1_555 yes
N(21) C(20) C(21) C(22) 88.2(9) 1_555 1_555 1_555 1_555 yes
N(21) C(20) C(21) C(25) -89.2(9) 1_555 1_555 1_555 1_555 yes
N(22) Ag(2) N(31) C(4) -140.8(5) 1_555 1_555 1_555 1_555 yes
N(22) Ag(2) N(31) C(30) -7.9(6) 1_555 1_555 1_555 1_555 yes
N(22) Ag(2) N(41) C(6) 136.2(4) 1_555 1_555 1_555 1_555 yes
N(22) Ag(2) N(41) C(40) 9.4(5) 1_555 1_555 1_555 1_555 yes
N(22) C(23) C(22) C(21) 0(1) 1_555 1_555 1_555 1_555 yes
N(22) C(24) C(25) C(21) -1(1) 1_555 1_555 1_555 1_555 yes
N(31) Ag(2) N(22) C(23) 85.2(6) 1_555 1_555 1_555 1_555 yes
N(31) Ag(2) N(22) C(24) -97.6(6) 1_555 1_555 1_555 1_555 yes
N(31) Ag(2) N(41) C(6) -45.9(4) 1_555 1_555 1_555 1_555 yes
N(31) Ag(2) N(41) C(40) -172.8(4) 1_555 1_555 1_555 1_555 yes
N(31) C(4) C(5) C(6) 70.2(8) 1_555 1_555 1_555 1_555 yes
N(31) C(30) C(31) C(32) 73.7(9) 1_555 1_555 1_555 1_555 yes
N(31) C(30) C(31) C(35) -100.1(8) 1_555 1_555 1_555 1_555 yes
N(32) C(33) C(32) C(31) -2(1) 1_555 1_555 1_555 1_555 yes
N(32) C(34) C(35) C(31) 0(1) 1_555 1_555 1_555 1_555 yes
N(41) Ag(2) N(22) C(23) -98.2(6) 1_555 1_555 1_555 1_555 yes
N(41) Ag(2) N(22) C(24) 79.1(6) 1_555 1_555 1_555 1_555 yes
N(41) Ag(2) N(31) C(4) 41.6(5) 1_555 1_555 1_555 1_555 yes
N(41) Ag(2) N(31) C(30) 174.4(5) 1_555 1_555 1_555 1_555 yes
N(41) C(6) C(5) C(4) -79.7(8) 1_555 1_555 1_555 1_555 yes
N(41) C(40) C(41) C(42) -73.9(8) 1_555 1_555 1_555 1_555 yes
N(41) C(40) C(41) C(45) 102.8(7) 1_555 1_555 1_555 1_555 yes
N(42) C(43) C(42) C(41) 1(1) 1_555 1_555 1_555 1_555 yes
N(42) C(44) C(45) C(41) 2(1) 1_555 1_555 1_555 1_555 yes
C(1) N(11) C(10) C(11) 179.0(6) 1_555 1_555 1_555 1_555 yes
C(2) C(1) N(11) C(10) -178.6(6) 1_555 1_555 1_555 1_555 yes
C(2) C(3) N(21) C(20) -171.1(6) 1_555 1_555 1_555 1_555 yes
C(3) N(21) C(20) C(21) -174.1(6) 1_555 1_555 1_555 1_555 yes
C(4) N(31) C(30) C(31) 176.7(6) 1_555 1_555 1_555 1_555 yes
C(5) C(4) N(31) C(30) 170.3(6) 1_555 1_555 1_555 1_555 yes
C(5) C(6) N(41) C(40) -161.9(6) 1_555 1_555 1_555 1_555 yes
C(6) N(41) C(40) C(41) -176.6(6) 1_555 1_555 1_555 1_555 yes
C(10) C(11) C(12) C(13) -177.3(6) 1_555 1_555 1_555 1_555 yes
C(10) C(11) C(15) C(14) 177.9(7) 1_555 1_555 1_555 1_555 yes
C(12) C(11) C(15) C(14) 0(1) 1_555 1_555 1_555 1_555 yes
C(12) C(13) N(12) C(14) 1(1) 1_555 1_555 1_555 1_555 yes
C(13) N(12) C(14) C(15) -1(1) 1_555 1_555 1_555 1_555 yes
C(13) C(12) C(11) C(15) 1(1) 1_555 1_555 1_555 1_555 yes
C(20) C(21) C(22) C(23) -177.0(7) 1_555 1_555 1_555 1_555 yes
C(20) C(21) C(25) C(24) 177.2(7) 1_555 1_555 1_555 1_555 yes
C(22) C(21) C(25) C(24) 0(1) 1_555 1_555 1_555 1_555 yes
C(22) C(23) N(22) C(24) -1(1) 1_555 1_555 1_555 1_555 yes
C(23) N(22) C(24) C(25) 2(1) 1_555 1_555 1_555 1_555 yes
C(23) C(22) C(21) C(25) 0(1) 1_555 1_555 1_555 1_555 yes
C(30) C(31) C(32) C(33) -170.1(7) 1_555 1_555 1_555 1_555 yes
C(30) C(31) C(35) C(34) 171.4(7) 1_555 1_555 1_555 1_555 yes
C(32) C(31) C(35) C(34) -2(1) 1_555 1_555 1_555 1_555 yes
C(32) C(33) N(32) C(34) 0(1) 1_555 1_555 1_555 1_555 yes
C(33) N(32) C(34) C(35) 1(1) 1_555 1_555 1_555 1_555 yes
C(33) C(32) C(31) C(35) 3(1) 1_555 1_555 1_555 1_555 yes
C(40) C(41) C(42) C(43) 178.0(7) 1_555 1_555 1_555 1_555 yes
C(40) C(41) C(45) C(44) -180.0(7) 1_555 1_555 1_555 1_555 yes
C(42) C(41) C(45) C(44) -3(1) 1_555 1_555 1_555 1_555 yes
C(42) C(43) N(42) C(44) -2(1) 1_555 1_555 1_555 1_555 yes
C(43) N(42) C(44) C(45) 0(1) 1_555 1_555 1_555 1_555 yes
C(43) C(42) C(41) C(45) 1(1) 1_555 1_555 1_555 1_555 yes
