#------------------------------------------------------------------------------
#$Date: 2026-04-05 13:59:14 +0200 (Sun, 05 Apr 2026) $
#$Revision: 305346 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/7/25/15/7251530.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_7251530
loop_
_publ_author_name
'Shen, Yi-Lin'
'Liu, Chia-Li'
'Tai, Hsun-Chih'
'Chen, Zhi-Ling'
'Chen, Jhy-Der'
_publ_section_title
;
 Structure-directing roles of polycarboxylate anions in the formation of
 Ag(i) coordination polymers with mixed ligands
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              1801
_journal_page_last               1811
_journal_paper_doi               10.1039/D5CE01151E
_journal_volume                  28
_journal_year                    2026
_chemical_formula_sum            'C37 H36 Ag2 N8 O12'
_chemical_formula_weight         1000.48
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2019/1
_audit_update_record
;
2025-12-01 deposited with the CCDC.	2026-01-27 downloaded from the CCDC.
;
_cell_angle_alpha                95.359(6)
_cell_angle_beta                 95.325(7)
_cell_angle_gamma                106.993(7)
_cell_formula_units_Z            2
_cell_length_a                   9.4624(19)
_cell_length_b                   11.7312(19)
_cell_length_c                   19.160(3)
_cell_measurement_reflns_used    5841
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.65
_cell_measurement_theta_min      2.27
_cell_volume                     2008.9(6)
_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-2019/1 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1393
_diffrn_reflns_av_unetI/netI     0.1223
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            32451
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         1.076
_exptl_absorpt_coefficient_mu    1.047
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5869
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'sadabs v2008/1(bruker axs, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.654
_exptl_crystal_description       plate
_exptl_crystal_F_000             1008
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.674
_refine_diff_density_min         -0.741
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     542
_refine_ls_number_reflns         7913
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.1473
_refine_ls_R_factor_gt           0.0596
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0538P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1241
_refine_ls_wR_factor_ref         0.1557
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3860
_reflns_number_total             7913
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5ce01151e2.cif
_cod_data_source_block           6
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'multi_scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7251527--7251535.cif.
;
_cod_database_code               7251530
_shelx_shelxl_version_number     2019/1
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.744
_shelx_estimated_absorpt_t_max   0.903
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.95054(7) -0.06965(5) 0.07559(3) 0.0614(2) Uani 1 1 d . . . . .
Ag2 Ag 0.51433(7) 0.97148(5) 0.57739(3) 0.0615(2) Uani 1 1 d . . . . .
O1 O 1.3473(6) -0.4220(4) -0.1630(2) 0.0552(13) Uani 1 1 d . . . . .
O2 O 1.2405(5) -0.7015(4) -0.0983(2) 0.0465(12) Uani 1 1 d . . . . .
O3 O 0.7163(5) 0.2665(4) 0.3999(2) 0.0485(12) Uani 1 1 d . . . . .
O4 O 0.7991(7) 0.5378(4) 0.3287(3) 0.0722(17) Uani 1 1 d . . . . .
O5 O 0.7898(6) 0.3172(5) 0.6567(3) 0.0726(17) Uani 1 1 d . . . . .
O6 O 0.7979(7) 0.4376(5) 0.5727(3) 0.0808(18) Uani 1 1 d . . . . .
O7 O 0.8071(7) 0.9100(6) 0.8184(3) 0.093(2) Uani 1 1 d . . . . .
O8 O 0.7804(7) 0.8072(6) 0.9090(3) 0.093(2) Uani 1 1 d . . . . .
H8B H 0.698421 0.757017 0.914897 0.111 Uiso 1 1 d R U . . .
O9 O 0.7089(6) 0.6052(6) 0.9311(3) 0.0797(18) Uani 1 1 d . . . . .
O10 O 0.6174(9) 0.4219(7) 0.8700(3) 0.098(2) Uani 1 1 d . . . . .
N1 N 1.1056(6) -0.1555(5) 0.0380(3) 0.0452(15) Uani 1 1 d . . . . .
N2 N 1.3570(5) -0.4603(4) -0.0505(3) 0.0370(13) Uani 1 1 d . . . . .
H2A H 1.340245 -0.514735 -0.022517 0.044 Uiso 1 1 calc R U . . .
N3 N 1.1928(6) -0.6527(4) -0.2093(3) 0.0393(13) Uani 1 1 d . . . . .
H3A H 1.204258 -0.593377 -0.233646 0.047 Uiso 1 1 calc R U . . .
N4 N 1.3752(6) -0.9405(5) -0.3676(3) 0.0398(14) Uani 1 1 d . . . . .
N5 N 0.8043(6) 0.0138(5) 0.1244(3) 0.0415(14) Uani 1 1 d . . . . .
N6 N 0.6438(6) 0.3052(4) 0.2909(3) 0.0419(14) Uani 1 1 d . . . . .
H6A H 0.646507 0.361374 0.264827 0.050 Uiso 1 1 calc R U . . .
N7 N 0.8278(5) 0.5104(4) 0.4427(3) 0.0366(13) Uani 1 1 d . . . . .
H7A H 0.811477 0.460005 0.473104 0.044 Uiso 1 1 calc R U . . .
N8 N 0.6358(6) 0.8540(5) 0.5355(3) 0.0438(15) Uani 1 1 d . . . . .
C1 C 1.2502(8) -0.0963(6) 0.0410(4) 0.0486(19) Uani 1 1 d . . . . .
H1A H 1.283023 -0.014436 0.056749 0.058 Uiso 1 1 calc R U . . .
C2 C 1.3533(7) -0.1523(6) 0.0215(3) 0.0387(16) Uani 1 1 d . . . . .
H2B H 1.452902 -0.107681 0.023551 0.046 Uiso 1 1 calc R U . . .
C3 C 1.3081(7) -0.2747(6) -0.0011(3) 0.0350(16) Uani 1 1 d . . . . .
C4 C 1.1593(8) -0.3336(6) -0.0039(4) 0.0482(19) Uani 1 1 d . . . . .
H4B H 1.123599 -0.415524 -0.019404 0.058 Uiso 1 1 calc R U . . .
C5 C 1.0617(8) -0.2732(6) 0.0158(4) 0.051(2) Uani 1 1 d . . . . .
H5A H 0.961409 -0.316043 0.013558 0.061 Uiso 1 1 calc R U . . .
C6 C 1.4209(7) -0.3361(5) -0.0205(3) 0.0368(16) Uani 1 1 d . . . . .
H6B H 1.478832 -0.292581 -0.054140 0.044 Uiso 1 1 calc R U . . .
H6D H 1.488677 -0.331935 0.021577 0.044 Uiso 1 1 calc R U . . .
C7 C 1.3232(7) -0.4934(6) -0.1193(4) 0.0368(16) Uani 1 1 d . . . . .
C8 C 1.2477(7) -0.6285(5) -0.1414(3) 0.0331(15) Uani 1 1 d . . . . .
C9 C 1.1137(7) -0.7736(5) -0.2456(3) 0.0405(17) Uani 1 1 d . . . . .
H9A H 1.028702 -0.769587 -0.276683 0.049 Uiso 1 1 calc R U . . .
H9B H 1.075940 -0.825604 -0.210704 0.049 Uiso 1 1 calc R U . . .
C10 C 1.2073(7) -0.8287(6) -0.2882(3) 0.0338(15) Uani 1 1 d . . . . .
C11 C 1.3524(7) -0.7709(6) -0.2961(4) 0.0471(19) Uani 1 1 d . . . . .
H11A H 1.397252 -0.692414 -0.274637 0.056 Uiso 1 1 calc R U . . .
C12 C 1.4321(8) -0.8279(6) -0.3354(4) 0.0489(19) Uani 1 1 d . . . . .
H12A H 1.530229 -0.786141 -0.339813 0.059 Uiso 1 1 calc R U . . .
C13 C 1.2342(8) -0.9968(6) -0.3599(4) 0.0512(19) Uani 1 1 d . . . . .
H13A H 1.191968 -1.075456 -0.381516 0.061 Uiso 1 1 calc R U . . .
C14 C 1.1481(7) -0.9453(6) -0.3218(3) 0.0420(17) Uani 1 1 d . . . . .
H14A H 1.050037 -0.988606 -0.318560 0.050 Uiso 1 1 calc R U . . .
C15 C 0.6763(7) -0.0483(6) 0.1460(3) 0.0429(17) Uani 1 1 d . . . . .
H15A H 0.639944 -0.130650 0.131848 0.051 Uiso 1 1 calc R U . . .
C16 C 0.5967(7) 0.0038(5) 0.1880(3) 0.0375(16) Uani 1 1 d . . . . .
H16A H 0.507669 -0.042424 0.201141 0.045 Uiso 1 1 calc R U . . .
C17 C 0.6505(7) 0.1265(5) 0.2108(3) 0.0318(15) Uani 1 1 d . . . . .
C18 C 0.7797(7) 0.1917(6) 0.1878(3) 0.0419(17) Uani 1 1 d . . . . .
H18A H 0.818104 0.274167 0.201345 0.050 Uiso 1 1 calc R U . . .
C19 C 0.8514(7) 0.1332(6) 0.1442(4) 0.0461(18) Uani 1 1 d . . . . .
H19A H 0.936821 0.178565 0.127583 0.055 Uiso 1 1 calc R U . . .
C20 C 0.5654(7) 0.1824(6) 0.2601(3) 0.0405(17) Uani 1 1 d . . . . .
H20A H 0.471798 0.180903 0.234078 0.049 Uiso 1 1 calc R U . . .
H20B H 0.542308 0.133326 0.297991 0.049 Uiso 1 1 calc R U . . .
C21 C 0.7115(7) 0.3364(6) 0.3568(3) 0.0340(15) Uani 1 1 d . . . . .
C22 C 0.7833(7) 0.4725(6) 0.3756(4) 0.0374(16) Uani 1 1 d . . . . .
C23 C 0.9047(7) 0.6372(6) 0.4666(3) 0.0421(17) Uani 1 1 d . . . . .
H23A H 0.956627 0.672461 0.428813 0.051 Uiso 1 1 calc R U . . .
H23B H 0.979092 0.642941 0.506286 0.051 Uiso 1 1 calc R U . . .
C24 C 0.8061(7) 0.7095(6) 0.4885(3) 0.0339(15) Uani 1 1 d . . . . .
C25 C 0.6544(7) 0.6655(6) 0.4840(4) 0.0469(19) Uani 1 1 d . . . . .
H25A H 0.605238 0.586417 0.464733 0.056 Uiso 1 1 calc R U . . .
C26 C 0.5752(8) 0.7392(6) 0.5080(4) 0.0489(19) Uani 1 1 d . . . . .
H26A H 0.472277 0.706781 0.504968 0.059 Uiso 1 1 calc R U . . .
C27 C 0.7846(9) 0.8974(6) 0.5387(4) 0.055(2) Uani 1 1 d . . . . .
H27A H 0.831426 0.976990 0.557746 0.066 Uiso 1 1 calc R U . . .
C28 C 0.8703(7) 0.8295(6) 0.5151(3) 0.0432(18) Uani 1 1 d . . . . .
H28A H 0.972591 0.864320 0.517007 0.052 Uiso 1 1 calc R U . . .
C29 C 0.7923(8) 0.4147(8) 0.6352(4) 0.056(2) Uani 1 1 d . . . . .
C30 C 0.7845(8) 0.5165(7) 0.6891(4) 0.054(2) Uani 1 1 d . . . . .
C31 C 0.8180(10) 0.6327(8) 0.6752(4) 0.078(3) Uani 1 1 d . . . . .
H31A H 0.842379 0.651412 0.630830 0.093 Uiso 1 1 calc R U . . .
C32 C 0.8160(10) 0.7232(8) 0.7267(4) 0.078(3) Uani 1 1 d . . . . .
H32A H 0.843722 0.801854 0.716173 0.094 Uiso 1 1 calc R U . . .
C33 C 0.7750(8) 0.7028(8) 0.7927(4) 0.059(2) Uani 1 1 d . . . . .
C34 C 0.7838(9) 0.8137(9) 0.8435(5) 0.068(2) Uani 1 1 d . . . . .
C35 C 0.7342(8) 0.5839(8) 0.8059(4) 0.057(2) Uani 1 1 d . . . . .
C36 C 0.6834(10) 0.5306(10) 0.8729(4) 0.071(3) Uani 1 1 d . . . . .
C37 C 0.7407(7) 0.4936(7) 0.7539(3) 0.060(2) Uani 1 1 d . . . . .
H37A H 0.714067 0.414611 0.763885 0.072 Uiso 1 1 calc R U . . .
O11 O 0.7490(5) 0.1598(4) 0.5341(3) 0.0607(14) Uani 1 1 d . . . . .
H11B H 0.757873 0.227727 0.519819 0.073 Uiso 1 1 d R U . . .
H11C H 0.756663 0.170588 0.578999 0.073 Uiso 1 1 d R U . . .
O12 O 0.7364(8) 1.0421(7) 0.7032(4) 0.077(3) Uani 0.666(8) 1 d . . P A 1
H12B H 0.797827 1.009697 0.721422 0.092 Uiso 0.666(8) 1 d R U P A 1
H12C H 0.746547 1.108807 0.727812 0.092 Uiso 0.666(8) 1 d R U P A 1
O12' O 0.7787(19) 1.2434(14) 0.7895(8) 0.080(6) Uani 0.334(8) 1 d . . P A 2
H12D H 0.723802 1.279289 0.809084 0.096 Uiso 0.334(8) 1 d R U P A 2
H12E H 0.765912 1.176559 0.805622 0.096 Uiso 0.334(8) 1 d R U P A 2
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'
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
_geom_angle_publ_flag
N5 Ag1 N1 173.9(2) . . ?
N8 Ag2 N4 168.2(2) . 1_476 ?
N8 Ag2 Ag2 83.41(15) . 2_676 ?
N4 Ag2 Ag2 105.86(14) 1_476 2_676 ?
C34 O8 H8B 108.8 . . ?
C1 N1 C5 117.5(5) . . ?
C1 N1 Ag1 121.8(4) . . ?
C5 N1 Ag1 120.5(4) . . ?
C7 N2 C6 122.4(5) . . ?
C7 N2 H2A 118.8 . . ?
C6 N2 H2A 118.8 . . ?
C8 N3 C9 124.5(5) . . ?
C8 N3 H3A 117.7 . . ?
C9 N3 H3A 117.7 . . ?
C13 N4 C12 116.4(5) . . ?
C13 N4 Ag2 122.9(4) . 1_634 ?
C12 N4 Ag2 120.6(4) . 1_634 ?
C15 N5 C19 116.8(5) . . ?
C15 N5 Ag1 123.4(4) . . ?
C19 N5 Ag1 119.0(4) . . ?
C21 N6 C20 124.3(6) . . ?
C21 N6 H6A 117.8 . . ?
C20 N6 H6A 117.8 . . ?
C22 N7 C23 120.8(5) . . ?
C22 N7 H7A 119.6 . . ?
C23 N7 H7A 119.6 . . ?
C26 N8 C27 115.9(5) . . ?
C26 N8 Ag2 125.4(4) . . ?
C27 N8 Ag2 118.7(4) . . ?
N1 C1 C2 122.5(6) . . ?
N1 C1 H1A 118.7 . . ?
C2 C1 H1A 118.7 . . ?
C1 C2 C3 120.1(6) . . ?
C1 C2 H2B 120.0 . . ?
C3 C2 H2B 120.0 . . ?
C4 C3 C2 116.5(6) . . ?
C4 C3 C6 123.5(6) . . ?
C2 C3 C6 120.1(6) . . ?
C3 C4 C5 120.9(6) . . ?
C3 C4 H4B 119.5 . . ?
C5 C4 H4B 119.5 . . ?
N1 C5 C4 122.5(6) . . ?
N1 C5 H5A 118.7 . . ?
C4 C5 H5A 118.7 . . ?
N2 C6 C3 114.2(5) . . ?
N2 C6 H6B 108.7 . . ?
C3 C6 H6B 108.7 . . ?
N2 C6 H6D 108.7 . . ?
C3 C6 H6D 108.7 . . ?
H6B C6 H6D 107.6 . . ?
O1 C7 N2 123.1(6) . . ?
O1 C7 C8 121.7(6) . . ?
N2 C7 C8 115.2(6) . . ?
O2 C8 N3 126.8(6) . . ?
O2 C8 C7 121.3(6) . . ?
N3 C8 C7 111.9(6) . . ?
N3 C9 C10 114.2(5) . . ?
N3 C9 H9A 108.7 . . ?
C10 C9 H9A 108.7 . . ?
N3 C9 H9B 108.7 . . ?
C10 C9 H9B 108.7 . . ?
H9A C9 H9B 107.6 . . ?
C11 C10 C14 116.3(5) . . ?
C11 C10 C9 123.9(6) . . ?
C14 C10 C9 119.8(6) . . ?
C10 C11 C12 120.6(6) . . ?
C10 C11 H11A 119.7 . . ?
C12 C11 H11A 119.7 . . ?
N4 C12 C11 123.0(6) . . ?
N4 C12 H12A 118.5 . . ?
C11 C12 H12A 118.5 . . ?
N4 C13 C14 123.7(6) . . ?
N4 C13 H13A 118.2 . . ?
C14 C13 H13A 118.2 . . ?
C13 C14 C10 120.0(6) . . ?
C13 C14 H14A 120.0 . . ?
C10 C14 H14A 120.0 . . ?
N5 C15 C16 123.2(6) . . ?
N5 C15 H15A 118.4 . . ?
C16 C15 H15A 118.4 . . ?
C15 C16 C17 119.3(6) . . ?
C15 C16 H16A 120.3 . . ?
C17 C16 H16A 120.3 . . ?
C18 C17 C16 118.1(5) . . ?
C18 C17 C20 122.9(5) . . ?
C16 C17 C20 119.0(5) . . ?
C17 C18 C19 119.1(6) . . ?
C17 C18 H18A 120.5 . . ?
C19 C18 H18A 120.5 . . ?
N5 C19 C18 123.4(6) . . ?
N5 C19 H19A 118.3 . . ?
C18 C19 H19A 118.3 . . ?
N6 C20 C17 114.6(5) . . ?
N6 C20 H20A 108.6 . . ?
C17 C20 H20A 108.6 . . ?
N6 C20 H20B 108.6 . . ?
C17 C20 H20B 108.6 . . ?
H20A C20 H20B 107.6 . . ?
O3 C21 N6 125.1(6) . . ?
O3 C21 C22 121.8(6) . . ?
N6 C21 C22 113.2(6) . . ?
O4 C22 N7 124.2(6) . . ?
O4 C22 C21 120.0(6) . . ?
N7 C22 C21 115.8(6) . . ?
N7 C23 C24 114.9(5) . . ?
N7 C23 H23A 108.6 . . ?
C24 C23 H23A 108.6 . . ?
N7 C23 H23B 108.6 . . ?
C24 C23 H23B 108.6 . . ?
H23A C23 H23B 107.5 . . ?
C25 C24 C28 116.7(6) . . ?
C25 C24 C23 124.4(6) . . ?
C28 C24 C23 118.9(6) . . ?
C24 C25 C26 119.4(6) . . ?
C24 C25 H25A 120.3 . . ?
C26 C25 H25A 120.3 . . ?
N8 C26 C25 124.5(6) . . ?
N8 C26 H26A 117.8 . . ?
C25 C26 H26A 117.8 . . ?
N8 C27 C28 122.8(6) . . ?
N8 C27 H27A 118.6 . . ?
C28 C27 H27A 118.6 . . ?
C27 C28 C24 120.7(6) . . ?
C27 C28 H28A 119.7 . . ?
C24 C28 H28A 119.7 . . ?
O5 C29 O6 126.3(7) . . ?
O5 C29 C30 117.7(7) . . ?
O6 C29 C30 115.9(8) . . ?
C31 C30 C37 117.0(7) . . ?
C31 C30 C29 122.4(7) . . ?
C37 C30 C29 120.6(7) . . ?
C30 C31 C32 120.5(8) . . ?
C30 C31 H31A 119.8 . . ?
C32 C31 H31A 119.8 . . ?
C33 C32 C31 123.5(8) . . ?
C33 C32 H32A 118.2 . . ?
C31 C32 H32A 118.2 . . ?
C32 C33 C35 116.2(7) . . ?
C32 C33 C34 116.4(8) . . ?
C35 C33 C34 127.4(8) . . ?
O7 C34 O8 122.5(9) . . ?
O7 C34 C33 116.7(9) . . ?
O8 C34 C33 120.5(9) . . ?
C33 C35 C37 119.6(7) . . ?
C33 C35 C36 129.5(7) . . ?
C37 C35 C36 110.9(8) . . ?
O10 C36 O9 122.7(8) . . ?
O10 C36 C35 120.1(8) . . ?
O9 C36 C35 117.2(9) . . ?
C30 C37 C35 123.1(8) . . ?
C30 C37 H37A 118.5 . . ?
C35 C37 H37A 118.5 . . ?
H11B O11 H11C 107.3 . . ?
H12B O12 H12C 109.1 . . ?
H12D O12' H12E 107.8 . . ?
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 N5 2.146(5) . ?
Ag1 N1 2.146(5) . ?
Ag2 N8 2.181(5) . ?
Ag2 N4 2.181(5) 1_476 ?
Ag2 Ag2 3.1055(13) 2_676 ?
O1 C7 1.229(7) . ?
O2 C8 1.236(7) . ?
O3 C21 1.225(7) . ?
O4 C22 1.226(7) . ?
O5 C29 1.247(9) . ?
O6 C29 1.255(9) . ?
O7 C34 1.237(10) . ?
O8 C34 1.269(10) . ?
O8 H8B 0.8500 . ?
O9 C36 1.309(9) . ?
O10 C36 1.239(10) . ?
N1 C1 1.334(8) . ?
N1 C5 1.336(8) . ?
N2 C7 1.322(7) . ?
N2 C6 1.443(7) . ?
N2 H2A 0.8600 . ?
N3 C8 1.327(8) . ?
N3 C9 1.468(7) . ?
N3 H3A 0.8600 . ?
N4 C13 1.333(8) . ?
N4 C12 1.337(8) . ?
N5 C15 1.343(8) . ?
N5 C19 1.345(8) . ?
N6 C21 1.328(8) . ?
N6 C20 1.452(7) . ?
N6 H6A 0.8600 . ?
N7 C22 1.308(8) . ?
N7 C23 1.460(8) . ?
N7 H7A 0.8600 . ?
N8 C26 1.334(8) . ?
N8 C27 1.344(8) . ?
C1 C2 1.385(8) . ?
C1 H1A 0.9300 . ?
C2 C3 1.387(8) . ?
C2 H2B 0.9300 . ?
C3 C4 1.369(9) . ?
C3 C6 1.507(7) . ?
C4 C5 1.376(8) . ?
C4 H4B 0.9300 . ?
C5 H5A 0.9300 . ?
C6 H6B 0.9700 . ?
C6 H6D 0.9700 . ?
C7 C8 1.536(9) . ?
C9 C10 1.496(7) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.372(8) . ?
C10 C14 1.386(8) . ?
C11 C12 1.375(8) . ?
C11 H11A 0.9300 . ?
C12 H12A 0.9300 . ?
C13 C14 1.369(8) . ?
C13 H13A 0.9300 . ?
C14 H14A 0.9300 . ?
C15 C16 1.370(8) . ?
C15 H15A 0.9300 . ?
C16 C17 1.391(8) . ?
C16 H16A 0.9300 . ?
C17 C18 1.375(8) . ?
C17 C20 1.518(7) . ?
C18 C19 1.379(8) . ?
C18 H18A 0.9300 . ?
C19 H19A 0.9300 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.534(9) . ?
C23 C24 1.494(8) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 C25 1.368(8) . ?
C24 C28 1.386(8) . ?
C25 C26 1.375(8) . ?
C25 H25A 0.9300 . ?
C26 H26A 0.9300 . ?
C27 C28 1.369(8) . ?
C27 H27A 0.9300 . ?
C28 H28A 0.9300 . ?
C29 C30 1.527(9) . ?
C30 C31 1.364(11) . ?
C30 C37 1.371(8) . ?
C31 C32 1.385(10) . ?
C31 H31A 0.9300 . ?
C32 C33 1.377(10) . ?
C32 H32A 0.9300 . ?
C33 C35 1.389(10) . ?
C33 C34 1.527(11) . ?
C35 C37 1.404(9) . ?
C35 C36 1.536(11) . ?
C37 H37A 0.9300 . ?
O11 H11B 0.8501 . ?
O11 H11C 0.8500 . ?
O12 H12B 0.8499 . ?
O12 H12C 0.8500 . ?
O12' H12D 0.8500 . ?
O12' H12E 0.8500 . ?
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
C5 N1 C1 C2 0.6(10) . . . . ?
Ag1 N1 C1 C2 175.5(5) . . . . ?
N1 C1 C2 C3 -1.1(10) . . . . ?
C1 C2 C3 C4 1.1(10) . . . . ?
C1 C2 C3 C6 -178.3(6) . . . . ?
C2 C3 C4 C5 -0.8(10) . . . . ?
C6 C3 C4 C5 178.6(6) . . . . ?
C1 N1 C5 C4 -0.3(11) . . . . ?
Ag1 N1 C5 C4 -175.2(5) . . . . ?
C3 C4 C5 N1 0.5(11) . . . . ?
C7 N2 C6 C3 92.3(7) . . . . ?
C4 C3 C6 N2 7.1(9) . . . . ?
C2 C3 C6 N2 -173.5(6) . . . . ?
C6 N2 C7 O1 2.1(9) . . . . ?
C6 N2 C7 C8 -176.6(5) . . . . ?
C9 N3 C8 O2 -0.8(10) . . . . ?
C9 N3 C8 C7 -179.7(5) . . . . ?
O1 C7 C8 O2 170.9(6) . . . . ?
N2 C7 C8 O2 -10.4(8) . . . . ?
O1 C7 C8 N3 -10.2(8) . . . . ?
N2 C7 C8 N3 168.5(5) . . . . ?
C8 N3 C9 C10 -100.2(7) . . . . ?
N3 C9 C10 C11 -2.9(9) . . . . ?
N3 C9 C10 C14 176.3(6) . . . . ?
C14 C10 C11 C12 -0.1(10) . . . . ?
C9 C10 C11 C12 179.2(6) . . . . ?
C13 N4 C12 C11 0.0(10) . . . . ?
Ag2 N4 C12 C11 -175.5(5) 1_634 . . . ?
C10 C11 C12 N4 -0.1(11) . . . . ?
C12 N4 C13 C14 0.4(10) . . . . ?
Ag2 N4 C13 C14 175.8(5) 1_634 . . . ?
N4 C13 C14 C10 -0.6(11) . . . . ?
C11 C10 C14 C13 0.4(10) . . . . ?
C9 C10 C14 C13 -178.9(6) . . . . ?
C19 N5 C15 C16 -1.9(10) . . . . ?
Ag1 N5 C15 C16 168.1(5) . . . . ?
N5 C15 C16 C17 -1.1(10) . . . . ?
C15 C16 C17 C18 2.5(9) . . . . ?
C15 C16 C17 C20 -177.2(6) . . . . ?
C16 C17 C18 C19 -1.0(9) . . . . ?
C20 C17 C18 C19 178.7(6) . . . . ?
C15 N5 C19 C18 3.5(10) . . . . ?
Ag1 N5 C19 C18 -166.9(5) . . . . ?
C17 C18 C19 N5 -2.1(10) . . . . ?
C21 N6 C20 C17 -102.7(7) . . . . ?
C18 C17 C20 N6 -10.4(9) . . . . ?
C16 C17 C20 N6 169.3(6) . . . . ?
C20 N6 C21 O3 -0.3(10) . . . . ?
C20 N6 C21 C22 -179.1(5) . . . . ?
C23 N7 C22 O4 -1.4(10) . . . . ?
C23 N7 C22 C21 176.8(5) . . . . ?
O3 C21 C22 O4 167.5(6) . . . . ?
N6 C21 C22 O4 -13.6(9) . . . . ?
O3 C21 C22 N7 -10.8(9) . . . . ?
N6 C21 C22 N7 168.1(5) . . . . ?
C22 N7 C23 C24 93.6(7) . . . . ?
N7 C23 C24 C25 -3.3(9) . . . . ?
N7 C23 C24 C28 177.0(6) . . . . ?
C28 C24 C25 C26 -2.6(10) . . . . ?
C23 C24 C25 C26 177.7(6) . . . . ?
C27 N8 C26 C25 0.3(11) . . . . ?
Ag2 N8 C26 C25 -177.8(5) . . . . ?
C24 C25 C26 N8 0.9(11) . . . . ?
C26 N8 C27 C28 0.4(10) . . . . ?
Ag2 N8 C27 C28 178.6(5) . . . . ?
N8 C27 C28 C24 -2.2(11) . . . . ?
C25 C24 C28 C27 3.2(10) . . . . ?
C23 C24 C28 C27 -177.1(6) . . . . ?
O5 C29 C30 C31 165.7(8) . . . . ?
O6 C29 C30 C31 -15.6(11) . . . . ?
O5 C29 C30 C37 -15.3(11) . . . . ?
O6 C29 C30 C37 163.4(7) . . . . ?
C37 C30 C31 C32 3.9(13) . . . . ?
C29 C30 C31 C32 -177.1(8) . . . . ?
C30 C31 C32 C33 -2.9(15) . . . . ?
C31 C32 C33 C35 -0.1(13) . . . . ?
C31 C32 C33 C34 178.2(8) . . . . ?
C32 C33 C34 O7 9.5(11) . . . . ?
C35 C33 C34 O7 -172.3(8) . . . . ?
C32 C33 C34 O8 -164.4(8) . . . . ?
C35 C33 C34 O8 13.7(12) . . . . ?
C32 C33 C35 C37 1.8(11) . . . . ?
C34 C33 C35 C37 -176.3(7) . . . . ?
C32 C33 C35 C36 179.9(8) . . . . ?
C34 C33 C35 C36 1.8(13) . . . . ?
C33 C35 C36 O10 162.3(9) . . . . ?
C37 C35 C36 O10 -19.4(11) . . . . ?
C33 C35 C36 O9 -15.5(12) . . . . ?
C37 C35 C36 O9 162.7(7) . . . . ?
C31 C30 C37 C35 -2.2(12) . . . . ?
C29 C30 C37 C35 178.8(7) . . . . ?
C33 C35 C37 C30 -0.7(11) . . . . ?
C36 C35 C37 C30 -179.2(7) . . . . ?
