#------------------------------------------------------------------------------
#$Date: 2025-08-22 17:55:42 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301864 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/21/47/7214706.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_7214706
loop_
_publ_author_name
'Jin, Feng'
'Yang, Xiao-Fei'
'Li, Sheng-Li'
'Zheng, Zheng'
'Yu, Zhi-Peng'
'Kong, Lin'
'Hao, Fu-Ying'
'Yang, Jia-Xiang'
'Wu, Jie-Ying'
'Tian, Yu-Peng'
'Zhou, Hong-Ping'
_publ_section_title
;
 Role of anions in preparing silver(i) complexes with a new multidentate
 ligand: polymorphs, structures and nonlinear optical properties
;
_journal_issue                   24
_journal_name_full               CrystEngComm
_journal_page_first              8409
_journal_paper_doi               10.1039/c2ce26145f
_journal_volume                  14
_journal_year                    2012
_chemical_formula_moiety         'C64 H50 Ag2 N8 O6 S2'
_chemical_formula_sum            'C64 H50 Ag2 N8 O6 S2'
_chemical_formula_weight         1306.98
_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                77.46(3)
_cell_angle_beta                 81.25(3)
_cell_angle_gamma                68.07(3)
_cell_formula_units_Z            1
_cell_length_a                   9.7310(19)
_cell_length_b                   11.700(2)
_cell_length_c                   13.496(3)
_cell_measurement_reflns_used    6225
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.55
_cell_measurement_theta_min      2.64
_cell_volume                     1387.1(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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     0.71069
_diffrn_reflns_av_R_equivalents  0.0145
_diffrn_reflns_av_sigmaI/netI    0.0211
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9949
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.55
_exptl_absorpt_coefficient_mu    0.844
_exptl_absorpt_correction_T_max  0.8494
_exptl_absorpt_correction_T_min  0.7859
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       neddle
_exptl_crystal_F_000             664
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.314
_refine_diff_density_min         -0.315
_refine_diff_density_rms         0.044
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     381
_refine_ls_number_reflns         4862
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0309
_refine_ls_R_factor_gt           0.0263
_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)+(0.0250P)²+0.8422P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0626
_refine_ls_wR_factor_ref         0.0653
_reflns_number_gt                4315
_reflns_number_total             4862
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce26145f.txt
_cod_data_source_block           jfag_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        1387.1(5)
_cod_original_sg_symbol_H-M      'P-1 '
_cod_database_code               7214706
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_group
Ag1 Ag 0.57631(2) 0.296315(18) 0.831877(19) 0.05505(11) Uani 0.9794(7) 1 d P 1
Ag1' Ag -0.5437(9) 0.7036(8) 1.2413(6) 0.038(2) Uani 0.0206(7) 1 d PU 2
C1 C 1.0243(2) 0.0811(2) 0.64876(17) 0.0427(6) Uani 1 1 d . .
C2 C 1.0740(3) -0.0317(2) 0.61566(19) 0.0505(6) Uani 1 1 d . .
H2 H 1.0293 -0.0906 0.6433 0.061 Uiso 1 1 calc R .
C3 C 1.1907(3) -0.0579(3) 0.5412(2) 0.0583(7) Uani 1 1 d . .
H3 H 1.2238 -0.1347 0.5197 0.070 Uiso 1 1 calc R .
C4 C 1.2585(3) 0.0273(3) 0.49862(19) 0.0571(7) Uani 1 1 d . .
C5 C 1.2104(3) 0.1388(3) 0.5351(2) 0.0636(8) Uani 1 1 d . .
H5 H 1.2571 0.1965 0.5089 0.076 Uiso 1 1 calc R .
C6 C 1.0943(3) 0.1662(3) 0.6096(2) 0.0557(7) Uani 1 1 d . .
H6 H 1.0635 0.2417 0.6331 0.067 Uiso 1 1 calc R .
C7 C 1.3786(3) 0.0009(4) 0.4122(2) 0.0865(11) Uani 1 1 d . .
H7A H 1.4441 -0.0846 0.4262 0.130 Uiso 1 1 calc R .
H7B H 1.4341 0.0553 0.4057 0.130 Uiso 1 1 calc R .
H7C H 1.3338 0.0153 0.3499 0.130 Uiso 1 1 calc R .
C8 C 0.7229(3) 0.0902(2) 1.02631(18) 0.0482(6) Uani 1 1 d . .
H8 H 0.8099 0.0989 0.9921 0.058 Uiso 1 1 calc R .
C9 C 0.7327(3) 0.0056(2) 1.11555(18) 0.0475(6) Uani 1 1 d . .
H9 H 0.8241 -0.0408 1.1421 0.057 Uiso 1 1 calc R .
C10 C 0.6043(3) -0.0088(2) 1.16465(18) 0.0455(6) Uani 1 1 d . .
H10 H 0.6078 -0.0649 1.2255 0.055 Uiso 1 1 calc R .
C11 C 0.4700(3) 0.0604(2) 1.12335(17) 0.0423(5) Uani 1 1 d . .
H11 H 0.3826 0.0499 1.1550 0.051 Uiso 1 1 calc R .
C12 C 0.4678(2) 0.14583(19) 1.03381(16) 0.0343(5) Uani 1 1 d . .
C13 C 0.3263(2) 0.22344(19) 0.98448(16) 0.0343(5) Uani 1 1 d . .
C14 C 0.2155(2) 0.3465(2) 0.83933(16) 0.0369(5) Uani 1 1 d . .
C15 C 0.0754(2) 0.3604(2) 0.88808(17) 0.0407(5) Uani 1 1 d . .
H15 H -0.0085 0.4042 0.8520 0.049 Uiso 1 1 calc R .
C16 C 0.0592(2) 0.3093(2) 0.99031(16) 0.0366(5) Uani 1 1 d . .
C17 C 0.1888(2) 0.2393(2) 1.03841(17) 0.0377(5) Uani 1 1 d . .
H17 H 0.1836 0.2030 1.1067 0.045 Uiso 1 1 calc R .
C18 C -0.0899(2) 0.3317(2) 1.04599(16) 0.0362(5) Uani 1 1 d . .
C19 C -0.1133(2) 0.2485(2) 1.13131(18) 0.0454(6) Uani 1 1 d . .
H19 H -0.0351 0.1758 1.1531 0.054 Uiso 1 1 calc R .
C20 C -0.2517(2) 0.2724(2) 1.18438(18) 0.0448(6) Uani 1 1 d . .
H20 H -0.2658 0.2165 1.2420 0.054 Uiso 1 1 calc R .
C21 C -0.3685(2) 0.3792(2) 1.15182(17) 0.0366(5) Uani 1 1 d . .
C22 C -0.3481(2) 0.4629(2) 1.06633(16) 0.0371(5) Uani 1 1 d . .
H22 H -0.4270 0.5347 1.0441 0.045 Uiso 1 1 calc R .
C23 C -0.2097(2) 0.4388(2) 1.01432(16) 0.0387(5) Uani 1 1 d . .
H23 H -0.1960 0.4952 0.9570 0.046 Uiso 1 1 calc R .
C24 C -0.5726(3) 0.3147(2) 1.2515(2) 0.0576(7) Uani 1 1 d . .
H24 H -0.5285 0.2286 1.2549 0.069 Uiso 1 1 calc R .
C25 C -0.7107(3) 0.3767(3) 1.2920(2) 0.0592(7) Uani 1 1 d . .
H25 H -0.7796 0.3423 1.3281 0.071 Uiso 1 1 calc R .
C26 C -0.7267(3) 0.5016(2) 1.26790(18) 0.0479(6) Uani 1 1 d . .
H26 H -0.8111 0.5664 1.2863 0.058 Uiso 1 1 calc R .
C27 C 0.2332(2) 0.4104(2) 0.73302(17) 0.0415(5) Uani 1 1 d . .
C28 C 0.1328(3) 0.5281(3) 0.6993(2) 0.0565(7) Uani 1 1 d . .
H28 H 0.0527 0.5658 0.7429 0.068 Uiso 1 1 calc R .
C29 C 0.1506(4) 0.5900(3) 0.6011(2) 0.0732(9) Uani 1 1 d . .
H29 H 0.0825 0.6691 0.5795 0.088 Uiso 1 1 calc R .
C30 C 0.2669(4) 0.5361(3) 0.5359(2) 0.0758(9) Uani 1 1 d . .
H30 H 0.2783 0.5782 0.4701 0.091 Uiso 1 1 calc R .
C31 C 0.3672(4) 0.4191(3) 0.5683(2) 0.0732(9) Uani 1 1 d . .
H31 H 0.4465 0.3818 0.5239 0.088 Uiso 1 1 calc R .
C32 C 0.3514(3) 0.3562(3) 0.66631(19) 0.0536(6) Uani 1 1 d . .
H32 H 0.4202 0.2773 0.6875 0.064 Uiso 1 1 calc R .
N1 N 0.5931(2) 0.16093(18) 0.98620(14) 0.0416(4) Uani 1 1 d . .
N2 N 0.33938(19) 0.27830(16) 0.88692(13) 0.0352(4) Uani 1 1 d . .
N3 N -0.51138(19) 0.40073(17) 1.20573(14) 0.0394(4) Uani 1 1 d . .
N4 N -0.60673(19) 0.51759(17) 1.21534(14) 0.0413(4) Uani 1 1 d U .
O1 O 0.9118(2) 0.1720(2) 0.81333(15) 0.0768(6) Uani 1 1 d . .
O2 O 0.8415(2) 0.00588(18) 0.78088(16) 0.0752(7) Uani 1 1 d . .
O3 O 0.74754(18) 0.21303(17) 0.68441(13) 0.0570(5) Uani 1 1 d . .
S1 S 0.86929(6) 0.11982(6) 0.74001(4) 0.04634(16) 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'
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'
H H 0.0000 0.0000 '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
N4 Ag1 N1 132.11(7) 2_567 .
N4 Ag1 N2 122.44(6) 2_567 .
N1 Ag1 N2 71.05(6) . .
N4 Ag1 O3 91.72(7) 2_567 .
N1 Ag1 O3 117.16(6) . .
N2 Ag1 O3 126.79(7) . .
O3 Ag1' C32 114.9(4) 2_567 2_567
O3 Ag1' N2 149.6(4) 2_567 2_567
C32 Ag1' N2 76.8(3) 2_567 2_567
O3 Ag1' N4 94.4(3) 2_567 .
C32 Ag1' N4 112.4(4) 2_567 .
N2 Ag1' N4 107.2(3) 2_567 .
C2 C1 C6 119.5(2) . .
C2 C1 S1 120.92(19) . .
C6 C1 S1 119.55(19) . .
C1 C2 C3 120.0(2) . .
C1 C2 H2 120.0 . .
C3 C2 H2 120.0 . .
C4 C3 C2 121.4(3) . .
C4 C3 H3 119.3 . .
C2 C3 H3 119.3 . .
C3 C4 C5 117.9(2) . .
C3 C4 C7 120.6(3) . .
C5 C4 C7 121.5(3) . .
C4 C5 C6 121.5(3) . .
C4 C5 H5 119.3 . .
C6 C5 H5 119.3 . .
C1 C6 C5 119.7(3) . .
C1 C6 H6 120.2 . .
C5 C6 H6 120.2 . .
C4 C7 H7A 109.5 . .
C4 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C4 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
N1 C8 C9 122.9(2) . .
N1 C8 H8 118.6 . .
C9 C8 H8 118.6 . .
C10 C9 C8 118.4(2) . .
C10 C9 H9 120.8 . .
C8 C9 H9 120.8 . .
C9 C10 C11 119.8(2) . .
C9 C10 H10 120.1 . .
C11 C10 H10 120.1 . .
C10 C11 C12 118.8(2) . .
C10 C11 H11 120.6 . .
C12 C11 H11 120.6 . .
N1 C12 C11 121.4(2) . .
N1 C12 C13 116.85(18) . .
C11 C12 C13 121.71(19) . .
N2 C13 C17 122.1(2) . .
N2 C13 C12 116.83(17) . .
C17 C13 C12 121.11(19) . .
N2 C14 C15 121.6(2) . .
N2 C14 C27 117.47(18) . .
C15 C14 C27 120.9(2) . .
C14 C15 C16 120.6(2) . .
C14 C15 H15 119.7 . .
C16 C15 H15 119.7 . .
C17 C16 C15 116.91(19) . .
C17 C16 C18 121.7(2) . .
C15 C16 C18 121.4(2) . .
C16 C17 C13 120.0(2) . .
C16 C17 H17 120.0 . .
C13 C17 H17 120.0 . .
C19 C18 C23 118.27(19) . .
C19 C18 C16 121.35(19) . .
C23 C18 C16 120.37(19) . .
C20 C19 C18 120.8(2) . .
C20 C19 H19 119.6 . .
C18 C19 H19 119.6 . .
C21 C20 C19 119.9(2) . .
C21 C20 H20 120.0 . .
C19 C20 H20 120.0 . .
C20 C21 C22 120.27(19) . .
C20 C21 N3 119.24(19) . .
C22 C21 N3 120.47(19) . .
C23 C22 C21 119.4(2) . .
C23 C22 H22 120.3 . .
C21 C22 H22 120.3 . .
C22 C23 C18 121.3(2) . .
C22 C23 H23 119.3 . .
C18 C23 H23 119.3 . .
N3 C24 C25 107.6(2) . .
N3 C24 H24 126.2 . .
C25 C24 H24 126.2 . .
C24 C25 C26 105.2(2) . .
C24 C25 H25 127.4 . .
C26 C25 H25 127.4 . .
N4 C26 C25 111.5(2) . .
N4 C26 H26 124.3 . .
C25 C26 H26 124.3 . .
C28 C27 C32 118.5(2) . .
C28 C27 C14 120.1(2) . .
C32 C27 C14 121.4(2) . .
C27 C28 C29 120.5(3) . .
C27 C28 H28 119.7 . .
C29 C28 H28 119.7 . .
C30 C29 C28 120.7(3) . .
C30 C29 H29 119.7 . .
C28 C29 H29 119.7 . .
C29 C30 C31 119.5(3) . .
C29 C30 H30 120.3 . .
C31 C30 H30 120.3 . .
C30 C31 C32 120.6(3) . .
C30 C31 H31 119.7 . .
C32 C31 H31 119.7 . .
C31 C32 C27 120.3(3) . .
C31 C32 Ag1' 116.1(3) . 2_567
C27 C32 Ag1' 102.4(3) . 2_567
C31 C32 H32 119.9 . .
C27 C32 H32 119.9 . .
Ag1' C32 H32 48.9 2_567 .
C8 N1 C12 118.7(2) . .
C8 N1 Ag1 123.19(15) . .
C12 N1 Ag1 117.96(14) . .
C14 N2 C13 118.69(17) . .
C14 N2 Ag1 124.06(14) . .
C13 N2 Ag1 114.51(14) . .
C14 N2 Ag1' 104.4(2) . 2_567
C13 N2 Ag1' 136.8(2) . 2_567
Ag1 N2 Ag1' 25.69(19) . 2_567
C24 N3 N4 110.58(18) . .
C24 N3 C21 127.4(2) . .
N4 N3 C21 121.97(17) . .
C26 N4 N3 105.17(19) . .
C26 N4 Ag1 124.07(16) . 2_567
N3 N4 Ag1 130.59(13) . 2_567
C26 N4 Ag1' 116.9(2) . .
N3 N4 Ag1' 127.8(2) . .
Ag1 N4 Ag1' 24.77(18) 2_567 .
S1 O3 Ag1' 121.1(3) . 2_567
S1 O3 Ag1 99.11(9) . .
Ag1' O3 Ag1 25.0(2) 2_567 .
O2 S1 O1 114.64(14) . .
O2 S1 O3 112.25(13) . .
O1 S1 O3 111.18(13) . .
O2 S1 C1 106.13(11) . .
O1 S1 C1 105.96(12) . .
O3 S1 C1 105.96(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N4 2.249(2) 2_567
Ag1 N1 2.313(2) .
Ag1 N2 2.385(2) .
Ag1 O3 2.5112(18) .
Ag1' O3 2.065(8) 2_567
Ag1' C32 2.213(9) 2_567
Ag1' N2 2.470(8) 2_567
Ag1' N4 2.575(9) .
C1 C2 1.375(4) .
C1 C6 1.380(4) .
C1 S1 1.778(2) .
C2 C3 1.385(3) .
C2 H2 0.9300 .
C3 C4 1.374(4) .
C3 H3 0.9300 .
C4 C5 1.383(4) .
C4 C7 1.515(3) .
C5 C6 1.383(4) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C8 N1 1.344(3) .
C8 C9 1.373(3) .
C8 H8 0.9300 .
C9 C10 1.373(3) .
C9 H9 0.9300 .
C10 C11 1.382(3) .
C10 H10 0.9300 .
C11 C12 1.388(3) .
C11 H11 0.9300 .
C12 N1 1.344(3) .
C12 C13 1.498(3) .
C13 N2 1.343(3) .
C13 C17 1.390(3) .
C14 N2 1.341(3) .
C14 C15 1.388(3) .
C14 C27 1.484(3) .
C15 C16 1.390(3) .
C15 H15 0.9300 .
C16 C17 1.389(3) .
C16 C18 1.486(3) .
C17 H17 0.9300 .
C18 C19 1.387(3) .
C18 C23 1.393(3) .
C19 C20 1.384(3) .
C19 H19 0.9300 .
C20 C21 1.378(3) .
C20 H20 0.9300 .
C21 C22 1.384(3) .
C21 N3 1.427(3) .
C22 C23 1.379(3) .
C22 H22 0.9300 .
C23 H23 0.9300 .
C24 N3 1.348(3) .
C24 C25 1.360(4) .
C24 H24 0.9300 .
C25 C26 1.380(4) .
C25 H25 0.9300 .
C26 N4 1.325(3) .
C26 H26 0.9300 .
C27 C28 1.384(3) .
C27 C32 1.387(3) .
C28 C29 1.385(4) .
C28 H28 0.9300 .
C29 C30 1.362(5) .
C29 H29 0.9300 .
C30 C31 1.375(5) .
C30 H30 0.9300 .
C31 C32 1.384(4) .
C31 H31 0.9300 .
C32 Ag1' 2.213(9) 2_567
C32 H32 0.9300 .
N2 Ag1' 2.470(8) 2_567
N3 N4 1.356(3) .
N4 Ag1 2.249(2) 2_567
O1 S1 1.448(2) .
O2 S1 1.435(2) .
O3 S1 1.4513(17) .
O3 Ag1' 2.065(8) 2_567
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_4
C6 C1 C2 C3 -1.9(4) . .
S1 C1 C2 C3 177.1(2) . .
C1 C2 C3 C4 -0.3(4) . .
C2 C3 C4 C5 2.4(4) . .
C2 C3 C4 C7 -175.7(3) . .
C3 C4 C5 C6 -2.2(4) . .
C7 C4 C5 C6 175.8(3) . .
C2 C1 C6 C5 2.1(4) . .
S1 C1 C6 C5 -177.0(2) . .
C4 C5 C6 C1 0.0(4) . .
N1 C8 C9 C10 1.3(4) . .
C8 C9 C10 C11 0.6(4) . .
C9 C10 C11 C12 -1.7(4) . .
C10 C11 C12 N1 1.0(3) . .
C10 C11 C12 C13 179.7(2) . .
N1 C12 C13 N2 15.3(3) . .
C11 C12 C13 N2 -163.4(2) . .
N1 C12 C13 C17 -163.4(2) . .
C11 C12 C13 C17 17.8(3) . .
N2 C14 C15 C16 3.7(3) . .
C27 C14 C15 C16 -174.3(2) . .
C14 C15 C16 C17 -3.4(3) . .
C14 C15 C16 C18 175.1(2) . .
C15 C16 C17 C13 0.3(3) . .
C18 C16 C17 C13 -178.2(2) . .
N2 C13 C17 C16 2.8(3) . .
C12 C13 C17 C16 -178.5(2) . .
C17 C16 C18 C19 -26.5(3) . .
C15 C16 C18 C19 155.1(2) . .
C17 C16 C18 C23 152.4(2) . .
C15 C16 C18 C23 -26.0(3) . .
C23 C18 C19 C20 -0.9(4) . .
C16 C18 C19 C20 178.0(2) . .
C18 C19 C20 C21 0.8(4) . .
C19 C20 C21 C22 -0.1(4) . .
C19 C20 C21 N3 178.3(2) . .
C20 C21 C22 C23 -0.3(3) . .
N3 C21 C22 C23 -178.7(2) . .
C21 C22 C23 C18 0.1(3) . .
C19 C18 C23 C22 0.5(3) . .
C16 C18 C23 C22 -178.4(2) . .
N3 C24 C25 C26 -0.1(3) . .
C24 C25 C26 N4 0.2(3) . .
N2 C14 C27 C28 -142.9(2) . .
C15 C14 C27 C28 35.1(3) . .
N2 C14 C27 C32 35.4(3) . .
C15 C14 C27 C32 -146.6(2) . .
C32 C27 C28 C29 -0.1(4) . .
C14 C27 C28 C29 178.2(3) . .
C27 C28 C29 C30 0.2(5) . .
C28 C29 C30 C31 0.0(5) . .
C29 C30 C31 C32 -0.3(5) . .
C30 C31 C32 C27 0.4(5) . .
C30 C31 C32 Ag1' -123.8(4) . 2_567
C28 C27 C32 C31 -0.2(4) . .
C14 C27 C32 C31 -178.5(3) . .
C28 C27 C32 Ag1' 130.3(3) . 2_567
C14 C27 C32 Ag1' -48.0(3) . 2_567
C9 C8 N1 C12 -2.0(4) . .
C9 C8 N1 Ag1 -176.79(19) . .
C11 C12 N1 C8 0.8(3) . .
C13 C12 N1 C8 -177.9(2) . .
C11 C12 N1 Ag1 175.86(16) . .
C13 C12 N1 Ag1 -2.9(3) . .
N4 Ag1 N1 C8 -73.2(2) 2_567 .
N2 Ag1 N1 C8 169.8(2) . .
O3 Ag1 N1 C8 47.4(2) . .
N4 Ag1 N1 C12 112.00(17) 2_567 .
N2 Ag1 N1 C12 -5.01(15) . .
O3 Ag1 N1 C12 -127.38(16) . .
C15 C14 N2 C13 -0.6(3) . .
C27 C14 N2 C13 177.43(19) . .
C15 C14 N2 Ag1 -160.80(17) . .
C27 C14 N2 Ag1 17.2(3) . .
C15 C14 N2 Ag1' -179.1(3) . 2_567
C27 C14 N2 Ag1' -1.1(3) . 2_567
C17 C13 N2 C14 -2.6(3) . .
C12 C13 N2 C14 178.64(19) . .
C17 C13 N2 Ag1 159.42(17) . .
C12 C13 N2 Ag1 -19.3(2) . .
C17 C13 N2 Ag1' 175.3(3) . 2_567
C12 C13 N2 Ag1' -3.4(4) . 2_567
N4 Ag1 N2 C14 45.57(19) 2_567 .
N1 Ag1 N2 C14 174.02(19) . .
O3 Ag1 N2 C14 -75.74(18) . .
N4 Ag1 N2 C13 -115.36(15) 2_567 .
N1 Ag1 N2 C13 13.09(14) . .
O3 Ag1 N2 C13 123.33(14) . .
N4 Ag1 N2 Ag1' 90.3(5) 2_567 2_567
N1 Ag1 N2 Ag1' -141.3(5) . 2_567
O3 Ag1 N2 Ag1' -31.0(5) . 2_567
C25 C24 N3 N4 -0.1(3) . .
C25 C24 N3 C21 -179.0(2) . .
C20 C21 N3 C24 -34.8(4) . .
C22 C21 N3 C24 143.7(3) . .
C20 C21 N3 N4 146.5(2) . .
C22 C21 N3 N4 -35.1(3) . .
C25 C26 N4 N3 -0.2(3) . .
C25 C26 N4 Ag1 -175.92(18) . 2_567
C25 C26 N4 Ag1' -148.3(3) . .
C24 N3 N4 C26 0.2(3) . .
C21 N3 N4 C26 179.2(2) . .
C24 N3 N4 Ag1 175.49(18) . 2_567
C21 N3 N4 Ag1 -5.5(3) . 2_567
C24 N3 N4 Ag1' 143.6(3) . .
C21 N3 N4 Ag1' -37.5(4) . .
O3 Ag1' N4 C26 -13.2(4) 2_567 .
C32 Ag1' N4 C26 106.0(3) 2_567 .
N2 Ag1' N4 C26 -171.5(2) 2_567 .
O3 Ag1' N4 N3 -153.0(2) 2_567 .
C32 Ag1' N4 N3 -33.7(4) 2_567 .
N2 Ag1' N4 N3 48.7(4) 2_567 .
O3 Ag1' N4 Ag1 100.4(5) 2_567 2_567
C32 Ag1' N4 Ag1 -140.3(6) 2_567 2_567
N2 Ag1' N4 Ag1 -57.8(3) 2_567 2_567
N4 Ag1 O3 S1 112.24(11) 2_567 .
N1 Ag1 O3 S1 -28.07(13) . .
N2 Ag1 O3 S1 -113.93(10) . .
N4 Ag1 O3 Ag1' -94.6(6) 2_567 2_567
N1 Ag1 O3 Ag1' 125.1(6) . 2_567
N2 Ag1 O3 Ag1' 39.2(6) . 2_567
Ag1' O3 S1 O2 68.1(3) 2_567 .
Ag1 O3 S1 O2 81.00(12) . .
Ag1' O3 S1 O1 -61.8(3) 2_567 .
Ag1 O3 S1 O1 -48.91(13) . .
Ag1' O3 S1 C1 -176.5(3) 2_567 .
Ag1 O3 S1 C1 -163.59(10) . .
C2 C1 S1 O2 12.5(2) . .
C6 C1 S1 O2 -168.4(2) . .
C2 C1 S1 O1 134.8(2) . .
C6 C1 S1 O1 -46.1(2) . .
C2 C1 S1 O3 -107.0(2) . .
C6 C1 S1 O3 72.1(2) . .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139198224
