#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:13:21 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179472 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/69/4336967.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_4336967
loop_
_publ_author_name
'Li-Yun Du'
'Wen-Juan Shi'
'Lei Hou'
'Yao-Yu Wang'
'Qi-Zhen Shi'
'Zhonghua Zhu'
_publ_section_title
;
 Solvent or Temperature Induced Diverse Coordination Polymers of Silver(I)
 Sulfate and Bipyrazole Systems: Syntheses, Crystal Structures,
 Luminescence, and Sorption Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              14018
_journal_page_last               14027
_journal_paper_doi               10.1021/ic401765r
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C40 H58 Ag4 N16 O9 S2'
_chemical_formula_weight         1402.62
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           1
_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                109.471(2)
_cell_angle_beta                 101.616(2)
_cell_angle_gamma                112.420(2)
_cell_formula_units_Z            1
_cell_length_a                   11.3533(15)
_cell_length_b                   11.4578(15)
_cell_length_c                   12.932(3)
_cell_measurement_reflns_used    1878
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.21
_cell_measurement_theta_min      2.67
_cell_volume                     1358.0(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_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  0.0209
_diffrn_reflns_av_sigmaI/netI    0.0581
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7335
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    1.562
_exptl_absorpt_correction_T_max  0.8722
_exptl_absorpt_correction_T_min  0.7772
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.715
_exptl_crystal_description       block
_exptl_crystal_F_000             702
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.193
_refine_diff_density_min         -0.679
_refine_diff_density_rms         0.131
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.51(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     655
_refine_ls_number_reflns         6236
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0672
_refine_ls_R_factor_gt           0.0532
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0885P)²+0.8063P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1381
_refine_ls_wR_factor_ref         0.1536
_reflns_number_gt                5055
_reflns_number_total             6236
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic401765r_si_002_1.cif
_cod_data_source_block           1
_cod_database_code               4336967
loop_
_symmetry_equiv_pos_as_xyz
'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 0.85921(10) 0.94655(11) -0.10883(8) 0.0538(3) Uani 1 1 d .
Ag2 Ag 0.29701(11) 0.47822(10) 0.26384(9) 0.0545(3) Uani 1 1 d .
Ag3 Ag 0.16755(10) -0.36805(10) 0.38475(8) 0.0501(3) Uani 1 1 d .
Ag4 Ag 1.75469(10) 1.14816(10) -0.22104(8) 0.0510(3) Uani 1 1 d .
S1 S 0.6486(3) 0.7502(3) -0.3970(3) 0.0373(7) Uani 1 1 d .
S2 S -0.0238(3) 0.3684(3) 0.0819(3) 0.0394(7) Uani 1 1 d .
O1 O 0.6440(12) 0.7976(13) -0.2788(8) 0.071(3) Uani 1 1 d .
O4 O 0.5134(9) 0.7157(11) -0.4785(8) 0.053(3) Uani 1 1 d .
O2 O 0.6636(12) 0.6236(10) -0.4295(11) 0.072(3) Uani 1 1 d .
O3 O 0.7558(11) 0.8649(11) -0.4010(10) 0.073(3) Uani 1 1 d .
O5 O 0.0897(12) 0.3375(12) 0.0914(10) 0.070(3) Uani 1 1 d .
O6 O -0.0333(12) 0.4185(12) 0.1987(8) 0.070(3) Uani 1 1 d .
O7 O -0.0013(12) 0.4737(10) 0.0404(8) 0.063(3) Uani 1 1 d .
O8 O -0.1491(11) 0.2374(10) -0.0044(8) 0.070(3) Uani 1 1 d .
N1 N 0.7383(11) 0.9289(12) 0.0054(9) 0.046(3) Uani 1 1 d .
N2 N 0.7050(12) 1.0284(12) 0.0478(10) 0.048(3) Uani 1 1 d .
H2A H 0.7302 1.1031 0.0374 0.057 Uiso 1 1 calc R
N3 N 0.4153(11) 0.6572(10) 0.2341(8) 0.040(2) Uani 1 1 d .
N4 N 0.5212(13) 0.7709(11) 0.3289(10) 0.052(3) Uani 1 1 d .
H4A H 0.5337 0.7832 0.4004 0.063 Uiso 1 1 calc R
N5 N 0.3132(12) 0.3359(11) 0.3398(9) 0.045(3) Uani 1 1 d .
N6 N 0.4411(13) 0.3610(12) 0.3995(10) 0.049(3) Uani 1 1 d .
H6D H 0.5130 0.4432 0.4340 0.058 Uiso 1 1 calc R
N7 N 0.1993(13) -0.2178(11) 0.3203(9) 0.046(3) Uani 1 1 d .
N8 N 0.1452(12) -0.2451(10) 0.2071(9) 0.047(3) Uani 1 1 d .
H8A H 0.0946 -0.3291 0.1495 0.056 Uiso 1 1 calc R
N9 N 0.1801(11) -0.4617(11) 0.4997(9) 0.039(2) Uani 1 1 d .
N11 N -0.0818(12) -0.7856(11) 0.7217(10) 0.046(3) Uani 1 1 d .
N10 N 0.2971(10) -0.4483(9) 0.5637(8) 0.036(2) Uani 1 1 d .
H10D H 0.3767 -0.3952 0.5666 0.043 Uiso 1 1 calc R
N12 N -0.0360(11) -0.8735(11) 0.6682(9) 0.043(2) Uani 1 1 d .
H12A H -0.0597 -0.9553 0.6660 0.052 Uiso 1 1 calc R
N13 N 1.5568(10) 1.0623(11) -0.2126(9) 0.040(2) Uani 1 1 d .
N14 N 1.4975(10) 0.9346(10) -0.2173(8) 0.037(2) Uani 1 1 d .
H14A H 1.5249 0.8734 -0.2394 0.045 Uiso 1 1 calc R
N15 N 1.0594(11) 1.0246(11) -0.1246(9) 0.042(3) Uani 1 1 d .
N16 N 1.1584(11) 1.1465(11) -0.0327(9) 0.045(3) Uani 1 1 d .
H16D H 1.1428 1.2040 0.0178 0.054 Uiso 1 1 calc R
C1 C 0.701(2) 0.7026(18) 0.0060(18) 0.079(5) Uani 1 1 d .
H1A H 0.6781 0.6574 -0.0779 0.119 Uiso 1 1 calc R
H1B H 0.6428 0.6377 0.0283 0.119 Uiso 1 1 calc R
H1C H 0.7956 0.7308 0.0466 0.119 Uiso 1 1 calc R
C2 C 0.6819(14) 0.8323(16) 0.0393(11) 0.050(3) Uani 1 1 d .
C3 C 0.6096(13) 0.8730(14) 0.1092(11) 0.041(3) Uani 1 1 d .
C4 C 0.6273(14) 0.9973(13) 0.1088(11) 0.042(3) Uani 1 1 d .
C5 C 0.5640(19) 1.0898(18) 0.1618(14) 0.065(4) Uani 1 1 d .
H5A H 0.6114 1.1810 0.1646 0.098 Uiso 1 1 calc R
H5B H 0.5732 1.1011 0.2404 0.098 Uiso 1 1 calc R
H5C H 0.4684 1.0446 0.1131 0.098 Uiso 1 1 calc R
C6 C 0.3281(18) 0.5804(18) 0.0193(14) 0.069(5) Uani 1 1 d .
H6A H 0.3592 0.5183 -0.0208 0.103 Uiso 1 1 calc R
H6B H 0.3180 0.6339 -0.0221 0.103 Uiso 1 1 calc R
H6C H 0.2410 0.5255 0.0214 0.103 Uiso 1 1 calc R
C7 C 0.4287(13) 0.6776(14) 0.1406(11) 0.039(3) Uani 1 1 d .
C8 C 0.5470(12) 0.8058(13) 0.1770(11) 0.040(3) Uani 1 1 d .
C9 C 0.6063(15) 0.8642(14) 0.3008(12) 0.049(3) Uani 1 1 d .
C10 C 0.7355(17) 0.9926(15) 0.3916(13) 0.063(4) Uani 1 1 d .
H10A H 0.7302 1.0145 0.4683 0.094 Uiso 1 1 calc R
H10B H 0.7481 1.0708 0.3743 0.094 Uiso 1 1 calc R
H10C H 0.8119 0.9755 0.3908 0.094 Uiso 1 1 calc R
C11 C 0.0812(15) 0.1346(16) 0.2420(14) 0.058(4) Uani 1 1 d .
H11A H 0.0363 0.0502 0.2504 0.087 Uiso 1 1 calc R
H11B H 0.0578 0.1109 0.1595 0.087 Uiso 1 1 calc R
H11C H 0.0517 0.2005 0.2781 0.087 Uiso 1 1 calc R
C12 C 0.2311(13) 0.1989(13) 0.3003(11) 0.041(3) Uani 1 1 d .
C13 C 0.3106(13) 0.1383(12) 0.3350(10) 0.038(3) Uani 1 1 d .
C14 C 0.4431(14) 0.2474(13) 0.3990(11) 0.043(3) Uani 1 1 d .
C15 C 0.5666(18) 0.2546(19) 0.4618(15) 0.071(5) Uani 1 1 d .
H15A H 0.6432 0.3197 0.4535 0.107 Uiso 1 1 calc R
H15B H 0.5593 0.1624 0.4301 0.107 Uiso 1 1 calc R
H15C H 0.5802 0.2865 0.5441 0.107 Uiso 1 1 calc R
C16 C 0.3515(17) -0.0067(15) 0.5106(10) 0.053(4) Uani 1 1 d .
H16A H 0.2908 -0.0353 0.5499 0.079 Uiso 1 1 calc R
H16B H 0.3950 0.0943 0.5406 0.079 Uiso 1 1 calc R
H16C H 0.4205 -0.0346 0.5250 0.079 Uiso 1 1 calc R
C17 C 0.2705(15) -0.0765(13) 0.3796(11) 0.046(3) Uani 1 1 d .
C18 C 0.2532(13) -0.0147(12) 0.3033(11) 0.039(3) Uani 1 1 d .
C19 C 0.1785(13) -0.1278(12) 0.1940(10) 0.039(3) Uani 1 1 d .
C20 C 0.1302(17) -0.1370(16) 0.0732(11) 0.057(4) Uani 1 1 d .
H20A H 0.1246 -0.2195 0.0154 0.085 Uiso 1 1 calc R
H20B H 0.1940 -0.0539 0.0718 0.085 Uiso 1 1 calc R
H20C H 0.0410 -0.1433 0.0552 0.085 Uiso 1 1 calc R
C21 C -0.0653(15) -0.592(2) 0.4620(17) 0.075(5) Uani 1 1 d .
H21A H -0.0706 -0.5205 0.4416 0.113 Uiso 1 1 calc R
H21B H -0.1104 -0.6017 0.5163 0.113 Uiso 1 1 calc R
H21C H -0.1097 -0.6808 0.3916 0.113 Uiso 1 1 calc R
C22 C 0.0831(13) -0.5506(14) 0.5189(12) 0.045(3) Uani 1 1 d .
C23 C 0.1365(12) -0.5926(11) 0.5962(10) 0.034(3) Uani 1 1 d .
C24 C 0.2784(13) -0.5232(13) 0.6207(11) 0.037(3) Uani 1 1 d .
C25 C 0.3946(15) -0.5296(15) 0.6945(13) 0.056(4) Uani 1 1 d .
H25A H 0.4798 -0.4690 0.6932 0.085 Uiso 1 1 calc R
H25B H 0.3790 -0.6252 0.6629 0.085 Uiso 1 1 calc R
H25C H 0.3991 -0.4988 0.7746 0.085 Uiso 1 1 calc R
C26 C -0.0457(16) -0.5501(15) 0.7562(14) 0.058(4) Uani 1 1 d .
H26A H -0.1355 -0.5728 0.7090 0.087 Uiso 1 1 calc R
H26B H 0.0224 -0.4673 0.7575 0.087 Uiso 1 1 calc R
H26C H -0.0402 -0.5321 0.8355 0.087 Uiso 1 1 calc R
C27 C -0.0207(12) -0.6703(13) 0.7046(11) 0.038(3) Uani 1 1 d .
C28 C 0.0634(11) -0.6874(12) 0.6401(10) 0.034(2) Uani 1 1 d .
C29 C 0.0506(14) -0.8186(13) 0.6188(12) 0.045(3) Uani 1 1 d .
C30 C 0.1115(18) -0.8990(16) 0.5545(16) 0.064(4) Uani 1 1 d .
H30A H 0.1536 -0.9300 0.6039 0.096 Uiso 1 1 calc R
H30B H 0.1796 -0.8389 0.5352 0.096 Uiso 1 1 calc R
H30C H 0.0404 -0.9798 0.4831 0.096 Uiso 1 1 calc R
C31 C 1.5164(16) 1.2657(15) -0.1727(14) 0.059(4) Uani 1 1 d .
H31A H 1.6144 1.3259 -0.1377 0.089 Uiso 1 1 calc R
H31B H 1.4746 1.3065 -0.1248 0.089 Uiso 1 1 calc R
H31C H 1.4820 1.2566 -0.2507 0.089 Uiso 1 1 calc R
C32 C 1.4827(13) 1.1230(14) -0.1802(11) 0.040(3) Uani 1 1 d .
C33 C 1.3716(13) 1.0319(12) -0.1608(10) 0.038(3) Uani 1 1 d .
C34 C 1.3893(11) 0.9126(12) -0.1832(9) 0.032(2) Uani 1 1 d .
C35 C 1.3138(16) 0.7801(14) -0.1712(14) 0.060(4) Uani 1 1 d .
H35A H 1.2665 0.6997 -0.2480 0.089 Uiso 1 1 calc R
H35B H 1.2485 0.7886 -0.1364 0.089 Uiso 1 1 calc R
H35C H 1.3786 0.7679 -0.1215 0.089 Uiso 1 1 calc R
C36 C 1.0423(14) 0.8269(14) -0.2873(12) 0.053(3) Uani 1 1 d .
H36A H 1.0350 0.7524 -0.2662 0.079 Uiso 1 1 calc R
H36B H 1.0886 0.8271 -0.3417 0.079 Uiso 1 1 calc R
H36C H 0.9519 0.8119 -0.3238 0.079 Uiso 1 1 calc R
C37 C 1.1225(13) 0.9666(13) -0.1781(10) 0.037(3) Uani 1 1 d .
C38 C 1.2664(13) 1.0561(13) -0.1254(10) 0.036(3) Uani 1 1 d .
C39 C 1.2841(12) 1.1693(13) -0.0281(12) 0.042(3) Uani 1 1 d .
C40 C 1.4127(13) 1.2980(15) 0.0682(13) 0.063(4) Uani 1 1 d .
H40A H 1.4164 1.3812 0.0638 0.094 Uiso 1 1 calc R
H40B H 1.4917 1.2909 0.0584 0.094 Uiso 1 1 calc R
H40C H 1.4121 1.3040 0.1439 0.094 Uiso 1 1 calc R
O1W O -0.271(5) -0.458(5) 0.257(4) 0.150(15) Uiso 0.45 1 d P
O1W' O -0.151(4) -0.313(4) 0.348(3) 0.152(13) Uiso 0.55 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 0.0000 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'
S S 0.1246 0.1234 '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
N15 Ag1 N1 149.0(4) . .
N15 Ag1 O1 122.9(4) . .
N1 Ag1 O1 88.1(4) . .
N3 Ag2 N5 144.1(4) . .
N3 Ag2 O5 103.3(4) . .
N5 Ag2 O5 106.3(4) . .
N3 Ag2 Ag3 90.8(3) . 1_565
N5 Ag2 Ag3 109.1(3) . 1_565
O5 Ag2 Ag3 89.7(3) . 1_565
N7 Ag3 N9 162.0(4) . .
N7 Ag3 O6 97.5(4) . 1_545
N9 Ag3 O6 100.4(4) . 1_545
N7 Ag3 Ag2 100.7(3) . 1_545
N9 Ag3 Ag2 86.4(3) . 1_545
O6 Ag3 Ag2 75.8(3) 1_545 1_545
N11 Ag4 N13 164.1(4) 1_774 .
N11 Ag4 O8 108.5(4) 1_774 1_765
N13 Ag4 O8 87.2(4) . 1_765
O3 S1 O2 113.3(7) . .
O3 S1 O1 109.2(7) . .
O2 S1 O1 110.5(8) . .
O3 S1 O4 108.6(6) . .
O2 S1 O4 109.5(6) . .
O1 S1 O4 105.5(6) . .
O7 S2 O5 109.7(8) . .
O7 S2 O8 109.2(6) . .
O5 S2 O8 107.5(7) . .
O7 S2 O6 110.7(6) . .
O5 S2 O6 108.8(7) . .
O8 S2 O6 110.9(7) . .
S1 O1 Ag1 118.5(7) . .
S2 O5 Ag2 121.6(6) . .
S2 O6 Ag3 123.1(7) . 1_565
S2 O8 Ag4 127.7(6) . 1_345
C2 N1 N2 107.5(11) . .
C2 N1 Ag1 133.6(10) . .
N2 N1 Ag1 118.8(8) . .
N1 N2 C4 110.6(11) . .
N1 N2 H2A 124.7 . .
C4 N2 H2A 124.7 . .
C7 N3 N4 106.1(10) . .
C7 N3 Ag2 136.2(8) . .
N4 N3 Ag2 116.3(7) . .
N3 N4 C9 113.1(11) . .
N3 N4 H4A 123.5 . .
C9 N4 H4A 123.5 . .
C12 N5 N6 105.4(11) . .
C12 N5 Ag2 129.4(9) . .
N6 N5 Ag2 118.7(8) . .
C14 N6 N5 113.3(11) . .
C14 N6 H6D 123.4 . .
N5 N6 H6D 123.4 . .
C17 N7 N8 104.4(10) . .
C17 N7 Ag3 129.3(9) . .
N8 N7 Ag3 126.2(8) . .
C19 N8 N7 112.5(9) . .
C19 N8 H8A 123.7 . .
N7 N8 H8A 123.7 . .
C22 N9 N10 104.7(10) . .
C22 N9 Ag3 131.0(9) . .
N10 N9 Ag3 124.1(8) . .
C27 N11 N12 104.5(10) . .
C27 N11 Ag4 131.5(9) . 1_336
N12 N11 Ag4 122.6(8) . 1_336
C24 N10 N9 113.2(10) . .
C24 N10 H10D 123.4 . .
N9 N10 H10D 123.4 . .
C29 N12 N11 112.8(10) . .
C29 N12 H12A 123.6 . .
N11 N12 H12A 123.6 . .
C32 N13 N14 106.5(10) . .
C32 N13 Ag4 131.1(9) . .
N14 N13 Ag4 121.1(8) . .
N13 N14 C34 112.0(10) . .
N13 N14 H14A 124.0 . .
C34 N14 H14A 124.0 . .
C37 N15 N16 105.8(10) . .
C37 N15 Ag1 135.2(9) . .
N16 N15 Ag1 114.5(8) . .
C39 N16 N15 112.5(10) . .
C39 N16 H16D 123.8 . .
N15 N16 H16D 123.8 . .
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
N1 C2 C3 109.6(12) . .
N1 C2 C1 121.1(14) . .
C3 C2 C1 129.3(14) . .
C4 C3 C2 103.2(12) . .
C4 C3 C8 128.8(12) . .
C2 C3 C8 127.6(12) . .
N2 C4 C3 109.1(12) . .
N2 C4 C5 122.1(12) . .
C3 C4 C5 128.7(13) . .
C4 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C4 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C7 C6 H6A 109.5 . .
C7 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C7 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
N3 C7 C8 110.1(11) . .
N3 C7 C6 123.3(13) . .
C8 C7 C6 126.5(12) . .
C7 C8 C9 105.7(11) . .
C7 C8 C3 131.4(11) . .
C9 C8 C3 122.8(11) . .
N4 C9 C8 105.0(11) . .
N4 C9 C10 122.0(12) . .
C8 C9 C10 132.9(13) . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C12 C11 H11A 109.5 . .
C12 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C12 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
N5 C12 C13 108.8(12) . .
N5 C12 C11 121.3(12) . .
C13 C12 C11 129.6(12) . .
C14 C13 C12 106.3(11) . .
C14 C13 C18 129.9(12) . .
C12 C13 C18 123.8(12) . .
N6 C14 C13 106.3(12) . .
N6 C14 C15 121.1(13) . .
C13 C14 C15 132.6(14) . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C17 C16 H16A 109.5 . .
C17 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C17 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
N7 C17 C18 110.9(10) . .
N7 C17 C16 119.3(12) . .
C18 C17 C16 129.7(11) . .
C19 C18 C17 103.8(10) . .
C19 C18 C13 128.4(11) . .
C17 C18 C13 127.8(11) . .
N8 C19 C18 108.1(10) . .
N8 C19 C20 120.3(10) . .
C18 C19 C20 131.6(12) . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C22 C21 H21A 109.5 . .
C22 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C22 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
N9 C22 C23 111.9(11) . .
N9 C22 C21 120.8(12) . .
C23 C22 C21 127.4(12) . .
C22 C23 C24 103.3(11) . .
C22 C23 C28 128.2(11) . .
C24 C23 C28 128.4(10) . .
N10 C24 C23 106.9(10) . .
N10 C24 C25 122.6(11) . .
C23 C24 C25 130.5(11) . .
C24 C25 H25A 109.5 . .
C24 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C24 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C27 C26 H26A 109.5 . .
C27 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C27 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
N11 C27 C28 110.5(11) . .
N11 C27 C26 118.5(11) . .
C28 C27 C26 131.0(12) . .
C29 C28 C27 105.4(10) . .
C29 C28 C23 127.4(11) . .
C27 C28 C23 126.9(11) . .
N12 C29 C28 106.8(11) . .
N12 C29 C30 121.3(12) . .
C28 C29 C30 131.9(13) . .
C29 C30 H30A 109.5 . .
C29 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C29 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C32 C31 H31A 109.5 . .
C32 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C32 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
N13 C32 C33 110.9(12) . .
N13 C32 C31 120.7(12) . .
C33 C32 C31 128.4(13) . .
C34 C33 C32 103.1(11) . .
C34 C33 C38 128.0(11) . .
C32 C33 C38 128.9(12) . .
N14 C34 C33 107.4(11) . .
N14 C34 C35 121.3(11) . .
C33 C34 C35 131.3(11) . .
C34 C35 H35A 109.5 . .
C34 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C34 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C37 C36 H36A 109.5 . .
C37 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C37 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
N15 C37 C38 111.3(10) . .
N15 C37 C36 120.5(11) . .
C38 C37 C36 128.0(11) . .
C39 C38 C37 103.7(10) . .
C39 C38 C33 128.0(11) . .
C37 C38 C33 128.2(10) . .
N16 C39 C38 106.5(10) . .
N16 C39 C40 122.6(12) . .
C38 C39 C40 130.8(12) . .
C39 C40 H40A 109.5 . .
C39 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C39 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N15 2.182(11) .
Ag1 N1 2.216(11) .
Ag1 O1 2.423(10) .
Ag2 N3 2.189(10) .
Ag2 N5 2.210(11) .
Ag2 O5 2.389(11) .
Ag2 Ag3 2.9617(14) 1_565
Ag3 N7 2.096(11) .
Ag3 N9 2.116(10) .
Ag3 O6 2.566(10) 1_545
Ag3 Ag2 2.9617(14) 1_545
Ag4 N11 2.103(12) 1_774
Ag4 N13 2.124(10) .
Ag4 O8 2.469(9) 1_765
S1 O3 1.435(10) .
S1 O2 1.456(11) .
S1 O1 1.461(10) .
S1 O4 1.493(9) .
S2 O7 1.435(10) .
S2 O5 1.454(11) .
S2 O8 1.462(9) .
S2 O6 1.468(10) .
O6 Ag3 2.566(10) 1_565
O8 Ag4 2.469(9) 1_345
N1 C2 1.313(18) .
N1 N2 1.318(16) .
N2 C4 1.325(17) .
N2 H2A 0.8600 .
N3 C7 1.332(15) .
N3 N4 1.339(15) .
N4 C9 1.349(17) .
N4 H4A 0.8600 .
N5 C12 1.323(16) .
N5 N6 1.368(16) .
N6 C14 1.308(17) .
N6 H6D 0.8600 .
N7 C17 1.337(16) .
N7 N8 1.343(15) .
N8 C19 1.330(16) .
N8 H8A 0.8600 .
N9 C22 1.317(16) .
N9 N10 1.339(13) .
N11 C27 1.354(16) .
N11 N12 1.357(16) .
N11 Ag4 2.103(12) 1_336
N10 C24 1.293(15) .
N10 H10D 0.8600 .
N12 C29 1.349(16) .
N12 H12A 0.8600 .
N13 C32 1.328(17) .
N13 N14 1.330(14) .
N14 C34 1.350(15) .
N14 H14A 0.8600 .
N15 C37 1.300(15) .
N15 N16 1.336(14) .
N16 C39 1.335(17) .
N16 H16D 0.8600 .
C1 C2 1.52(2) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 C3 1.421(19) .
C3 C4 1.361(18) .
C3 C8 1.466(17) .
C4 C5 1.55(2) .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C6 C7 1.47(2) .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C7 C8 1.401(18) .
C8 C9 1.405(18) .
C9 C10 1.485(19) .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 C12 1.471(19) .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 C13 1.422(17) .
C13 C14 1.372(17) .
C13 C18 1.485(16) .
C14 C15 1.43(2) .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 C17 1.505(17) .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 C18 1.416(17) .
C18 C19 1.362(16) .
C19 C20 1.501(16) .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 C22 1.504(19) .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 C23 1.378(17) .
C23 C24 1.407(16) .
C23 C28 1.451(15) .
C24 C25 1.507(19) .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C26 C27 1.478(19) .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 C28 1.413(17) .
C28 C29 1.378(17) .
C29 C30 1.491(19) .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C31 C32 1.494(19) .
C31 H31A 0.9600 .
C31 H31B 0.9600 .
C31 H31C 0.9600 .
C32 C33 1.429(18) .
C33 C34 1.400(18) .
C33 C38 1.450(17) .
C34 C35 1.511(17) .
C35 H35A 0.9600 .
C35 H35B 0.9600 .
C35 H35C 0.9600 .
C36 C37 1.499(17) .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
C37 C38 1.412(17) .
C38 C39 1.384(17) .
C39 C40 1.502(17) .
C40 H40A 0.9600 .
C40 H40B 0.9600 .
C40 H40C 0.9600 .
O1W O1W' 1.53(5) .
