#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/81/4508184.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_4508184
loop_
_publ_author_name
'Zhang, Zhe'
'Ma, Jian-Fang'
'Liu, Ying-Ying'
'Kan, Wei-Qiu'
'Yang, Jin'
_publ_section_title
;
 A Series of Coordination Polymers Constructed from a Multidentate N-Donor
 Ligand and Varied Carboxylate Anions: Syntheses, Structures, and
 Luminescent Properties
;
_journal_issue                   10
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4338
_journal_paper_doi               10.1021/cg400680r
_journal_volume                  13
_journal_year                    2013
_chemical_formula_moiety         'C82 H64 Ag4 N36 O18'
_chemical_formula_sum            'C82 H64 Ag4 N36 O18'
_chemical_formula_weight         2273.17
_chemical_name_systematic
;
 ?
;
_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                94.244(5)
_cell_angle_beta                 109.288(5)
_cell_angle_gamma                103.527(5)
_cell_formula_units_Z            1
_cell_length_a                   10.9860(7)
_cell_length_b                   12.7110(7)
_cell_length_c                   15.9970(9)
_cell_measurement_reflns_used    3202
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1636
_cell_measurement_theta_min      2.8310
_cell_volume                     2022.0(2)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_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  0.0338
_diffrn_reflns_av_sigmaI/netI    0.0664
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12790
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         2.84
_exptl_absorpt_coefficient_mu    1.054
_exptl_absorpt_correction_T_max  0.8839
_exptl_absorpt_correction_T_min  0.8579
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.867
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1140
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.014
_refine_diff_density_min         -1.091
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     640
_refine_ls_number_reflns         7388
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0919
_refine_ls_R_factor_gt           0.0531
_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)+(0.0401P)²+2.2660P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1064
_refine_ls_wR_factor_ref         0.1276
_reflns_number_gt                4828
_reflns_number_total             7388
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            cg400680r_si_002.cif
_cod_data_source_block           Compound-8
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_Hall     '-P 1 '
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4508184
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
Ag1 Ag 0.13233(6) 1.09017(4) 0.18922(3) 0.06925(19) Uani 1 1 d .
Ag2 Ag -0.5605(3) 0.12257(18) 0.13357(17) 0.0584(5) Uani 0.50 1 d P
Ag2A Ag -0.5309(3) 0.1027(2) 0.1131(2) 0.1196(11) Uani 0.50 1 d P
C1 C 0.3760(4) 1.5005(4) 0.4410(3) 0.0331(11) Uani 1 1 d .
C2 C 0.4859(5) 1.5188(4) 0.4133(3) 0.0353(11) Uani 1 1 d .
C3 C 0.6106(5) 1.5176(4) 0.4734(3) 0.0345(11) Uani 1 1 d .
C4 C 0.2372(5) 1.5016(4) 0.3771(3) 0.0517(15) Uani 1 1 d .
H4A H 0.1751 1.4924 0.4089 0.062 Uiso 1 1 calc R
H4B H 0.2429 1.5719 0.3565 0.062 Uiso 1 1 calc R
C5 C 0.1804(5) 1.3093(4) 0.2993(3) 0.0512(14) Uani 1 1 d .
H5 H 0.2089 1.2780 0.3505 0.061 Uiso 1 1 calc R
C6 C 0.1017(5) 1.3345(4) 0.1683(3) 0.0479(13) Uani 1 1 d .
H6 H 0.0616 1.3206 0.1060 0.058 Uiso 1 1 calc R
C7 C 0.4663(6) 1.5462(4) 0.3195(3) 0.0542(15) Uani 1 1 d .
H7A H 0.3868 1.5722 0.2988 0.065 Uiso 1 1 calc R
H7B H 0.5424 1.6054 0.3226 0.065 Uiso 1 1 calc R
C8 C 0.4544(6) 1.3501(5) 0.2589(4) 0.0543(15) Uani 1 1 d .
H8 H 0.4764 1.3224 0.3125 0.065 Uiso 1 1 calc R
C9 C 0.3973(6) 1.3666(5) 0.1257(4) 0.0589(16) Uani 1 1 d .
H9 H 0.3711 1.3494 0.0637 0.071 Uiso 1 1 calc R
C10 C 0.7318(6) 1.5459(4) 0.4437(5) 0.0613(17) Uani 1 1 d .
H10A H 0.7058 1.5738 0.3875 0.074 Uiso 1 1 calc R
H10B H 0.8020 1.6042 0.4881 0.074 Uiso 1 1 calc R
C11 C 0.8829(5) 1.4550(4) 0.4000(4) 0.0496(14) Uani 1 1 d .
H11 H 0.9207 1.5140 0.3771 0.060 Uiso 1 1 calc R
C12 C 0.8407(6) 1.3066(5) 0.4426(4) 0.0550(15) Uani 1 1 d .
H12 H 0.8429 1.2365 0.4549 0.066 Uiso 1 1 calc R
C13 C 0.0011(4) 0.5645(3) 0.0749(3) 0.0285(10) Uani 1 1 d .
C14 C -0.1177(4) 0.4870(3) 0.0192(3) 0.0297(10) Uani 1 1 d .
C15 C -0.1174(4) 0.4216(3) -0.0554(3) 0.0299(10) Uani 1 1 d .
C16 C 0.0020(5) 0.6329(4) 0.1570(3) 0.0392(12) Uani 1 1 d .
H16A H -0.0737 0.5977 0.1730 0.047 Uiso 1 1 calc R
H16B H 0.0836 0.6385 0.2073 0.047 Uiso 1 1 calc R
C17 C 0.0797(5) 0.8397(4) 0.1805(3) 0.0351(11) Uani 1 1 d .
H17 H 0.1553 0.8501 0.2319 0.042 Uiso 1 1 calc R
C18 C -0.0718(5) 0.8636(4) 0.0696(3) 0.0441(13) Uani 1 1 d .
H18 H -0.1220 0.8986 0.0278 0.053 Uiso 1 1 calc R
C19 C -0.2466(5) 0.4738(4) 0.0389(3) 0.0408(12) Uani 1 1 d .
H19A H -0.2411 0.5414 0.0742 0.049 Uiso 1 1 calc R
H19B H -0.3214 0.4617 -0.0173 0.049 Uiso 1 1 calc R
C20 C -0.3716(5) 0.2926(5) 0.0609(4) 0.0498(14) Uani 1 1 d .
H20 H -0.4418 0.2746 0.0056 0.060 Uiso 1 1 calc R
C21 C -0.2437(6) 0.2908(5) 0.1900(4) 0.0539(14) Uani 1 1 d .
H21 H -0.2077 0.2677 0.2444 0.065 Uiso 1 1 calc R
C22 C -0.2450(5) 0.3384(4) -0.1170(3) 0.0384(11) Uani 1 1 d .
H22A H -0.3215 0.3635 -0.1160 0.046 Uiso 1 1 calc R
H22B H -0.2458 0.3335 -0.1780 0.046 Uiso 1 1 calc R
C23 C -0.3488(5) 0.1359(4) -0.1371(4) 0.0452(13) Uani 1 1 d .
H23 H -0.4120 0.1290 -0.1942 0.054 Uiso 1 1 calc R
C24 C -0.2330(5) 0.1047(4) -0.0141(3) 0.0437(12) Uani 1 1 d .
H24 H -0.2008 0.0674 0.0326 0.052 Uiso 1 1 calc R
C25 C 0.5526(4) 1.0895(4) 0.4253(3) 0.0332(11) Uani 1 1 d .
C26 C 0.6281(4) 1.1183(4) 0.5184(3) 0.0305(10) Uani 1 1 d .
C27 C 0.7299(4) 1.0687(4) 0.5545(3) 0.0313(10) Uani 1 1 d .
H27 H 0.7802 1.0880 0.6156 0.038 Uiso 1 1 calc R
C28 C 0.7601(5) 0.9921(4) 0.5044(3) 0.0352(11) Uani 1 1 d .
C29 C 0.6872(5) 0.9667(4) 0.4132(3) 0.0427(13) Uani 1 1 d .
H29 H 0.7054 0.9161 0.3773 0.051 Uiso 1 1 calc R
C30 C 0.5883(5) 1.0157(4) 0.3756(3) 0.0439(12) Uani 1 1 d .
H30 H 0.5427 0.9989 0.3138 0.053 Uiso 1 1 calc R
C31 C 0.8640(5) 0.9331(4) 0.5455(3) 0.0406(12) Uani 1 1 d .
C32 C 0.9855(5) 0.9928(4) 0.6255(3) 0.0375(11) Uani 1 1 d .
C33 C 1.0324(5) 1.1055(4) 0.6435(3) 0.0372(12) Uani 1 1 d .
H33 H 0.9861 1.1456 0.6046 0.045 Uiso 1 1 calc R
C34 C 1.1450(5) 1.1623(4) 0.7166(3) 0.0374(11) Uani 1 1 d .
C35 C 1.2135(5) 1.1027(5) 0.7773(3) 0.0431(13) Uani 1 1 d .
C36 C 1.1674(5) 0.9885(5) 0.7581(4) 0.0474(14) Uani 1 1 d .
H36 H 1.2124 0.9480 0.7974 0.057 Uiso 1 1 calc R
C37 C 1.0587(5) 0.9335(4) 0.6840(4) 0.0456(13) Uani 1 1 d .
H37 H 1.0333 0.8572 0.6722 0.055 Uiso 1 1 calc R
C38 C 0.4301(5) 1.1250(4) 0.3714(4) 0.0450(13) Uani 1 1 d .
C39 C 0.6149(5) 1.1988(4) 0.5887(3) 0.0346(11) Uani 1 1 d .
C40 C 1.1747(5) 1.2854(4) 0.7206(4) 0.0430(12) Uani 1 1 d .
C41 C 1.3337(5) 1.1497(6) 0.8635(4) 0.0607(16) Uani 1 1 d .
N1 N 0.1283(4) 1.2553(3) 0.2173(3) 0.0397(10) Uani 1 1 d .
N2 N 0.1871(4) 1.4136(3) 0.2996(3) 0.0381(10) Uani 1 1 d .
N3 N 0.1367(4) 1.4322(3) 0.2153(3) 0.0483(11) Uani 1 1 d .
N4 N 0.4222(4) 1.2923(3) 0.1800(3) 0.0479(11) Uani 1 1 d .
N5 N 0.4519(4) 1.4528(3) 0.2533(3) 0.0406(10) Uani 1 1 d .
N6 N 0.4124(4) 1.4644(4) 0.1657(3) 0.0496(11) Uani 1 1 d .
N7 N 0.9199(5) 1.3631(4) 0.4048(3) 0.0554(12) Uani 1 1 d .
N8 N 0.7870(4) 1.4529(3) 0.4316(3) 0.0429(10) Uani 1 1 d .
N9 N 0.7582(5) 1.3573(4) 0.4617(4) 0.0662(15) Uani 1 1 d .
N10 N 0.0418(4) 0.9188(3) 0.1388(3) 0.0374(10) Uani 1 1 d .
N11 N -0.0058(4) 0.7433(3) 0.1385(2) 0.0317(9) Uani 1 1 d .
N12 N -0.1053(4) 0.7572(3) 0.0661(3) 0.0416(10) Uani 1 1 d .
N13 N -0.3577(4) 0.2306(4) 0.1241(3) 0.0530(12) Uani 1 1 d .
N14 N -0.2721(4) 0.3838(3) 0.0870(3) 0.0409(10) Uani 1 1 d .
N15 N -0.1876(4) 0.3850(4) 0.1707(3) 0.0526(11) Uani 1 1 d .
N16 N -0.3364(4) 0.0550(3) -0.0907(3) 0.0461(11) Uani 1 1 d .
N17 N -0.2587(4) 0.2284(3) -0.0909(2) 0.0315(9) Uani 1 1 d .
N18 N -0.1815(4) 0.2092(3) -0.0107(3) 0.0426(10) Uani 1 1 d .
O1 O 0.8490(4) 0.8393(3) 0.5139(3) 0.0604(11) Uani 1 1 d .
O2 O 0.3649(4) 1.0752(4) 0.2942(3) 0.0679(12) Uani 1 1 d .
O3 O 0.3979(4) 1.2012(3) 0.4071(2) 0.0559(10) Uani 1 1 d .
O4 O 0.5234(3) 1.2491(3) 0.5658(2) 0.0454(9) Uani 1 1 d .
H4 H 0.4799 1.2303 0.5119 0.068 Uiso 1 1 calc R
O5 O 0.6923(4) 1.2153(3) 0.6659(2) 0.0511(10) Uani 1 1 d .
O6 O 1.0897(4) 1.3239(3) 0.6755(3) 0.0592(10) Uani 1 1 d .
O7 O 1.2910(4) 1.3482(3) 0.7700(3) 0.0771(13) Uani 1 1 d .
H7 H 1.3389 1.3108 0.7954 0.116 Uiso 1 1 calc R
O8 O 1.4136(4) 1.2414(4) 0.8658(3) 0.0856(15) Uani 1 1 d .
O9 O 1.3513(4) 1.0968(4) 0.9245(3) 0.0779(13) 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'
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
N1 Ag1 N10 153.96(14) . .
Ag2A Ag2 N16 72.2(5) . 2_455
Ag2A Ag2 N4 138.9(5) . 1_445
N16 Ag2 N4 146.0(2) 2_455 1_445
Ag2A Ag2 N13 59.4(5) . .
N16 Ag2 N13 131.25(16) 2_455 .
N4 Ag2 N13 82.08(17) 1_445 .
Ag2 Ag2A N16 91.8(5) . 2_455
Ag2 Ag2A N13 106.4(5) . .
N16 Ag2A N13 160.9(2) 2_455 .
C3 C1 C2 120.8(4) 2_686 .
C3 C1 C4 118.1(4) 2_686 .
C2 C1 C4 121.1(5) . .
C3 C2 C1 119.4(4) . .
C3 C2 C7 122.3(5) . .
C1 C2 C7 118.1(4) . .
C1 C3 C2 119.7(4) 2_686 .
C1 C3 C10 121.7(5) 2_686 .
C2 C3 C10 118.5(5) . .
N2 C4 C1 110.9(4) . .
N2 C4 H4A 109.5 . .
C1 C4 H4A 109.5 . .
N2 C4 H4B 109.5 . .
C1 C4 H4B 109.5 . .
H4A C4 H4B 108.1 . .
N1 C5 N2 110.8(4) . .
N1 C5 H5 124.6 . .
N2 C5 H5 124.6 . .
N3 C6 N1 114.5(5) . .
N3 C6 H6 122.8 . .
N1 C6 H6 122.8 . .
N5 C7 C2 113.7(4) . .
N5 C7 H7A 108.8 . .
C2 C7 H7A 108.8 . .
N5 C7 H7B 108.8 . .
C2 C7 H7B 108.8 . .
H7A C7 H7B 107.7 . .
N4 C8 N5 111.8(5) . .
N4 C8 H8 124.1 . .
N5 C8 H8 124.1 . .
N6 C9 N4 115.6(5) . .
N6 C9 H9 122.2 . .
N4 C9 H9 122.2 . .
N8 C10 C3 114.4(4) . .
N8 C10 H10A 108.7 . .
C3 C10 H10A 108.7 . .
N8 C10 H10B 108.7 . .
C3 C10 H10B 108.7 . .
H10A C10 H10B 107.6 . .
N8 C11 N7 111.8(5) . .
N8 C11 H11 124.1 . .
N7 C11 H11 124.1 . .
N9 C12 N7 115.1(5) . .
N9 C12 H12 122.5 . .
N7 C12 H12 122.5 . .
C15 C13 C14 120.4(4) 2_565 .
C15 C13 C16 120.0(4) 2_565 .
C14 C13 C16 119.6(4) . .
C13 C14 C15 119.5(4) . .
C13 C14 C19 120.5(4) . .
C15 C14 C19 120.1(4) . .
C13 C15 C14 120.1(4) 2_565 .
C13 C15 C22 119.6(4) 2_565 .
C14 C15 C22 120.2(4) . .
N11 C16 C13 110.1(4) . .
N11 C16 H16A 109.6 . .
C13 C16 H16A 109.6 . .
N11 C16 H16B 109.6 . .
C13 C16 H16B 109.6 . .
H16A C16 H16B 108.2 . .
N10 C17 N11 110.1(4) . .
N10 C17 H17 125.0 . .
N11 C17 H17 125.0 . .
N12 C18 N10 114.8(4) . .
N12 C18 H18 122.6 . .
N10 C18 H18 122.6 . .
N14 C19 C14 113.1(4) . .
N14 C19 H19A 109.0 . .
C14 C19 H19A 109.0 . .
N14 C19 H19B 109.0 . .
C14 C19 H19B 109.0 . .
H19A C19 H19B 107.8 . .
N13 C20 N14 110.6(5) . .
N13 C20 H20 124.7 . .
N14 C20 H20 124.7 . .
N15 C21 N13 114.5(5) . .
N15 C21 H21 122.8 . .
N13 C21 H21 122.8 . .
N17 C22 C15 112.5(4) . .
N17 C22 H22A 109.1 . .
C15 C22 H22A 109.1 . .
N17 C22 H22B 109.1 . .
C15 C22 H22B 109.1 . .
H22A C22 H22B 107.8 . .
N16 C23 N17 110.4(4) . .
N16 C23 H23 124.8 . .
N17 C23 H23 124.8 . .
N18 C24 N16 114.9(4) . .
N18 C24 H24 122.6 . .
N16 C24 H24 122.6 . .
C30 C25 C26 117.3(4) . .
C30 C25 C38 114.4(4) . .
C26 C25 C38 128.2(4) . .
C27 C26 C25 118.2(4) . .
C27 C26 C39 112.8(4) . .
C25 C26 C39 129.0(4) . .
C28 C27 C26 123.5(4) . .
C28 C27 H27 118.3 . .
C26 C27 H27 118.3 . .
C29 C28 C27 117.6(4) . .
C29 C28 C31 119.5(4) . .
C27 C28 C31 122.9(4) . .
C30 C29 C28 120.2(4) . .
C30 C29 H29 119.9 . .
C28 C29 H29 119.9 . .
C29 C30 C25 123.2(5) . .
C29 C30 H30 118.4 . .
C25 C30 H30 118.4 . .
O1 C31 C32 121.0(5) . .
O1 C31 C28 120.2(5) . .
C32 C31 C28 118.8(4) . .
C33 C32 C37 117.5(5) . .
C33 C32 C31 122.4(4) . .
C37 C32 C31 120.1(5) . .
C32 C33 C34 123.4(4) . .
C32 C33 H33 118.3 . .
C34 C33 H33 118.3 . .
C33 C34 C35 118.8(5) . .
C33 C34 C40 112.7(4) . .
C35 C34 C40 128.5(5) . .
C36 C35 C34 117.7(5) . .
C36 C35 C41 115.5(5) . .
C34 C35 C41 126.8(5) . .
C37 C36 C35 122.7(5) . .
C37 C36 H36 118.6 . .
C35 C36 H36 118.6 . .
C36 C37 C32 119.8(5) . .
C36 C37 H37 120.1 . .
C32 C37 H37 120.1 . .
O2 C38 O3 122.9(5) . .
O2 C38 C25 117.4(5) . .
O3 C38 C25 119.7(5) . .
O5 C39 O4 120.6(4) . .
O5 C39 C26 119.5(4) . .
O4 C39 C26 119.9(4) . .
O6 C40 O7 120.3(5) . .
O6 C40 C34 119.4(5) . .
O7 C40 C34 120.2(5) . .
O9 C41 O8 123.8(6) . .
O9 C41 C35 118.9(6) . .
O8 C41 C35 117.3(5) . .
C5 N1 C6 102.3(4) . .
C5 N1 Ag1 121.2(3) . .
C6 N1 Ag1 135.5(3) . .
C5 N2 N3 109.9(4) . .
C5 N2 C4 128.2(4) . .
N3 N2 C4 121.9(4) . .
C6 N3 N2 102.4(4) . .
C8 N4 C9 101.7(4) . .
C8 N4 Ag2 133.3(4) . 1_665
C9 N4 Ag2 123.9(4) . 1_665
C8 N5 N6 108.7(4) . .
C8 N5 C7 133.2(4) . .
N6 N5 C7 117.6(4) . .
C9 N6 N5 102.3(4) . .
C11 N7 C12 101.8(4) . .
C11 N8 N9 109.1(4) . .
C11 N8 C10 125.4(4) . .
N9 N8 C10 125.0(4) . .
C12 N9 N8 102.2(4) . .
C17 N10 C18 102.9(4) . .
C17 N10 Ag1 124.3(3) . .
C18 N10 Ag1 132.1(3) . .
C17 N11 N12 110.0(4) . .
C17 N11 C16 128.9(4) . .
N12 N11 C16 121.0(4) . .
C18 N12 N11 102.3(4) . .
C20 N13 C21 102.7(5) . .
C20 N13 Ag2A 116.8(4) . .
C21 N13 Ag2A 137.2(4) . .
C20 N13 Ag2 116.0(4) . .
C21 N13 Ag2 129.9(4) . .
C20 N14 N15 109.9(5) . .
C20 N14 C19 129.3(5) . .
N15 N14 C19 120.8(4) . .
C21 N15 N14 102.3(4) . .
C23 N16 C24 102.7(4) . .
C23 N16 Ag2A 129.4(4) . 2_455
C24 N16 Ag2A 126.4(4) . 2_455
C23 N16 Ag2 129.0(4) . 2_455
C24 N16 Ag2 127.9(3) . 2_455
C23 N17 N18 109.5(4) . .
C23 N17 C22 127.1(4) . .
N18 N17 C22 123.4(4) . .
C24 N18 N17 102.5(4) . .
C39 O4 H4 109.5 . .
C40 O7 H7 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N1 2.127(4) .
Ag1 N10 2.141(4) .
Ag2 Ag2A 0.611(4) .
Ag2 N16 2.216(5) 2_455
Ag2 N4 2.300(4) 1_445
Ag2 N13 2.387(5) .
Ag2A N16 2.110(5) 2_455
Ag2A N13 2.141(5) .
C1 C3 1.371(6) 2_686
C1 C2 1.395(6) .
C1 C4 1.533(6) .
C2 C3 1.394(6) .
C2 C7 1.523(7) .
C3 C1 1.371(6) 2_686
C3 C10 1.532(7) .
C4 N2 1.465(6) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 N1 1.306(6) .
C5 N2 1.310(6) .
C5 H5 0.9300 .
C6 N3 1.304(6) .
C6 N1 1.349(6) .
C6 H6 0.9300 .
C7 N5 1.473(6) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 N4 1.305(6) .
C8 N5 1.321(6) .
C8 H8 0.9300 .
C9 N6 1.303(7) .
C9 N4 1.344(7) .
C9 H9 0.9300 .
C10 N8 1.478(6) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 N8 1.305(6) .
C11 N7 1.324(6) .
C11 H11 0.9300 .
C12 N9 1.326(6) .
C12 N7 1.326(7) .
C12 H12 0.9300 .
C13 C15 1.388(6) 2_565
C13 C14 1.403(6) .
C13 C16 1.516(6) .
C14 C15 1.404(6) .
C14 C19 1.524(6) .
C15 C13 1.388(6) 2_565
C15 C22 1.515(6) .
C16 N11 1.471(6) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 N10 1.319(6) .
C17 N11 1.326(6) .
C17 H17 0.9300 .
C18 N12 1.308(6) .
C18 N10 1.356(6) .
C18 H18 0.9300 .
C19 N14 1.450(6) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 N13 1.318(7) .
C20 N14 1.322(6) .
C20 H20 0.9300 .
C21 N15 1.320(7) .
C21 N13 1.351(7) .
C21 H21 0.9300 .
C22 N17 1.477(6) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 N16 1.320(6) .
C23 N17 1.324(6) .
C23 H23 0.9300 .
C24 N18 1.305(6) .
C24 N16 1.349(6) .
C24 H24 0.9300 .
C25 C30 1.391(6) .
C25 C26 1.415(6) .
C25 C38 1.527(7) .
C26 C27 1.392(6) .
C26 C39 1.530(6) .
C27 C28 1.383(6) .
C27 H27 0.9300 .
C28 C29 1.382(7) .
C28 C31 1.509(7) .
C29 C30 1.368(7) .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 O1 1.212(6) .
C31 C32 1.499(7) .
C32 C33 1.377(7) .
C32 C37 1.407(7) .
C33 C34 1.385(7) .
C33 H33 0.9300 .
C34 C35 1.407(7) .
C34 C40 1.514(7) .
C35 C36 1.395(7) .
C35 C41 1.519(8) .
C36 C37 1.369(7) .
C36 H36 0.9300 .
C37 H37 0.9300 .
C38 O2 1.235(6) .
C38 O3 1.265(6) .
C39 O5 1.215(5) .
C39 O4 1.282(5) .
C40 O6 1.206(6) .
C40 O7 1.287(6) .
C41 O9 1.215(7) .
C41 O8 1.274(7) .
N2 N3 1.340(5) .
N4 Ag2 2.300(4) 1_665
N5 N6 1.354(5) .
N8 N9 1.348(6) .
N11 N12 1.361(5) .
N14 N15 1.352(6) .
N16 Ag2A 2.110(5) 2_455
N16 Ag2 2.216(5) 2_455
N17 N18 1.360(5) .
O4 H4 0.8200 .
O7 H7 0.8200 .
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
N4 Ag2 Ag2A N16 -162.9(7) 1_445 2_455
N13 Ag2 Ag2A N16 174.3(4) . 2_455
N16 Ag2 Ag2A N13 -174.3(4) 2_455 .
N4 Ag2 Ag2A N13 22.8(10) 1_445 .
C3 C1 C2 C3 0.5(7) 2_686 .
C4 C1 C2 C3 179.7(4) . .
C3 C1 C2 C7 -175.8(4) 2_686 .
C4 C1 C2 C7 3.3(6) . .
C1 C2 C3 C1 -0.5(7) . 2_686
C7 C2 C3 C1 175.7(4) . 2_686
C1 C2 C3 C10 -175.7(4) . .
C7 C2 C3 C10 0.5(6) . .
C3 C1 C4 N2 -117.8(5) 2_686 .
C2 C1 C4 N2 63.0(6) . .
C3 C2 C7 N5 82.1(6) . .
C1 C2 C7 N5 -101.6(5) . .
C1 C3 C10 N8 73.0(7) 2_686 .
C2 C3 C10 N8 -111.9(5) . .
C15 C13 C14 C15 1.5(7) 2_565 .
C16 C13 C14 C15 -178.3(4) . .
C15 C13 C14 C19 -178.2(4) 2_565 .
C16 C13 C14 C19 2.0(6) . .
C13 C14 C15 C13 -1.5(7) . 2_565
C19 C14 C15 C13 178.3(4) . 2_565
C13 C14 C15 C22 -179.3(4) . .
C19 C14 C15 C22 0.4(6) . .
C15 C13 C16 N11 79.0(5) 2_565 .
C14 C13 C16 N11 -101.3(5) . .
C13 C14 C19 N14 -97.8(5) . .
C15 C14 C19 N14 82.5(5) . .
C13 C15 C22 N17 89.5(5) 2_565 .
C14 C15 C22 N17 -92.7(5) . .
C30 C25 C26 C27 -1.9(7) . .
C38 C25 C26 C27 174.8(4) . .
C30 C25 C26 C39 178.1(4) . .
C38 C25 C26 C39 -5.3(8) . .
C25 C26 C27 C28 -0.6(7) . .
C39 C26 C27 C28 179.4(4) . .
C26 C27 C28 C29 1.9(7) . .
C26 C27 C28 C31 -175.5(4) . .
C27 C28 C29 C30 -0.6(7) . .
C31 C28 C29 C30 176.9(5) . .
C28 C29 C30 C25 -2.0(8) . .
C26 C25 C30 C29 3.3(7) . .
C38 C25 C30 C29 -173.9(5) . .
C29 C28 C31 O1 -31.0(7) . .
C27 C28 C31 O1 146.4(5) . .
C29 C28 C31 C32 148.8(5) . .
C27 C28 C31 C32 -33.8(7) . .
O1 C31 C32 C33 155.5(5) . .
C28 C31 C32 C33 -24.4(6) . .
O1 C31 C32 C37 -22.4(7) . .
C28 C31 C32 C37 157.8(4) . .
C37 C32 C33 C34 -1.5(7) . .
C31 C32 C33 C34 -179.4(4) . .
C32 C33 C34 C35 -1.8(7) . .
C32 C33 C34 C40 179.9(4) . .
C33 C34 C35 C36 2.9(7) . .
C40 C34 C35 C36 -179.1(4) . .
C33 C34 C35 C41 -176.6(5) . .
C40 C34 C35 C41 1.4(8) . .
C34 C35 C36 C37 -0.7(7) . .
C41 C35 C36 C37 178.8(5) . .
C35 C36 C37 C32 -2.7(7) . .
C33 C32 C37 C36 3.7(7) . .
C31 C32 C37 C36 -178.3(4) . .
C30 C25 C38 O2 9.5(7) . .
C26 C25 C38 O2 -167.3(5) . .
C30 C25 C38 O3 -171.9(5) . .
C26 C25 C38 O3 11.3(8) . .
C27 C26 C39 O5 2.1(6) . .
C25 C26 C39 O5 -177.9(5) . .
C27 C26 C39 O4 -178.5(4) . .
C25 C26 C39 O4 1.5(7) . .
C33 C34 C40 O6 15.3(6) . .
C35 C34 C40 O6 -162.8(5) . .
C33 C34 C40 O7 -163.1(5) . .
C35 C34 C40 O7 18.8(8) . .
C36 C35 C41 O9 -27.3(8) . .
C34 C35 C41 O9 152.2(6) . .
C36 C35 C41 O8 150.0(5) . .
C34 C35 C41 O8 -30.5(8) . .
N2 C5 N1 C6 -1.1(6) . .
N2 C5 N1 Ag1 169.4(3) . .
N3 C6 N1 C5 1.3(6) . .
N3 C6 N1 Ag1 -167.1(4) . .
N10 Ag1 N1 C5 120.6(5) . .
N10 Ag1 N1 C6 -72.6(6) . .
N1 C5 N2 N3 0.7(6) . .
N1 C5 N2 C4 179.3(5) . .
C1 C4 N2 C5 50.2(7) . .
C1 C4 N2 N3 -131.4(5) . .
N1 C6 N3 N2 -0.9(6) . .
C5 N2 N3 C6 0.1(6) . .
C4 N2 N3 C6 -178.6(4) . .
N5 C8 N4 C9 -1.1(6) . .
N5 C8 N4 Ag2 166.8(4) . 1_665
N6 C9 N4 C8 0.2(7) . .
N6 C9 N4 Ag2 -169.3(4) . 1_665
N4 C8 N5 N6 1.7(6) . .
N4 C8 N5 C7 172.9(5) . .
C2 C7 N5 C8 -1.1(9) . .
C2 C7 N5 N6 169.4(4) . .
N4 C9 N6 N5 0.8(7) . .
C8 N5 N6 C9 -1.4(6) . .
C7 N5 N6 C9 -174.2(5) . .
N8 C11 N7 C12 -0.9(6) . .
N9 C12 N7 C11 -0.2(7) . .
N7 C11 N8 N9 1.7(7) . .
N7 C11 N8 C10 174.0(5) . .
C3 C10 N8 C11 174.4(5) . .
C3 C10 N8 N9 -14.5(8) . .
N7 C12 N9 N8 1.2(7) . .
C11 N8 N9 C12 -1.7(6) . .
C10 N8 N9 C12 -174.0(5) . .
N11 C17 N10 C18 0.3(5) . .
N11 C17 N10 Ag1 172.1(3) . .
N12 C18 N10 C17 -0.2(6) . .
N12 C18 N10 Ag1 -171.0(3) . .
N1 Ag1 N10 C17 -136.8(4) . .
N1 Ag1 N10 C18 32.4(6) . .
N10 C17 N11 N12 -0.3(5) . .
N10 C17 N11 C16 174.9(4) . .
C13 C16 N11 C17 -121.1(5) . .
C13 C16 N11 N12 53.6(6) . .
N10 C18 N12 N11 0.0(5) . .
C17 N11 N12 C18 0.2(5) . .
C16 N11 N12 C18 -175.4(4) . .
N14 C20 N13 C21 0.3(6) . .
N14 C20 N13 Ag2A 163.5(3) . .
N14 C20 N13 Ag2 147.6(3) . .
N15 C21 N13 C20 -0.1(6) . .
N15 C21 N13 Ag2A -157.8(4) . .
N15 C21 N13 Ag2 -140.9(4) . .
Ag2 Ag2A N13 C20 -90.3(7) . .
N16 Ag2A N13 C20 107.5(8) 2_455 .
Ag2 Ag2A N13 C21 65.1(9) . .
N16 Ag2A N13 C21 -97.1(9) 2_455 .
N16 Ag2A N13 Ag2 -162.2(13) 2_455 .
Ag2A Ag2 N13 C20 96.8(7) . .
N16 Ag2 N13 C20 104.1(4) 2_455 .
N4 Ag2 N13 C20 -68.3(4) 1_445 .
Ag2A Ag2 N13 C21 -126.6(8) . .
N16 Ag2 N13 C21 -119.3(5) 2_455 .
N4 Ag2 N13 C21 68.3(5) 1_445 .
N16 Ag2 N13 Ag2A 7.3(5) 2_455 .
N4 Ag2 N13 Ag2A -165.1(7) 1_445 .
N13 C20 N14 N15 -0.4(6) . .
N13 C20 N14 C19 179.2(4) . .
C14 C19 N14 C20 -115.8(5) . .
C14 C19 N14 N15 63.8(6) . .
N13 C21 N15 N14 -0.1(6) . .
C20 N14 N15 C21 0.3(5) . .
C19 N14 N15 C21 -179.4(4) . .
N17 C23 N16 C24 -0.2(5) . .
N17 C23 N16 Ag2A 166.5(3) . 2_455
N17 C23 N16 Ag2 -172.8(3) . 2_455
N18 C24 N16 C23 -0.3(6) . .
N18 C24 N16 Ag2A -167.5(3) . 2_455
N18 C24 N16 Ag2 172.4(3) . 2_455
N16 C23 N17 N18 0.6(6) . .
N16 C23 N17 C22 -175.9(4) . .
C15 C22 N17 C23 -170.6(4) . .
C15 C22 N17 N18 13.3(6) . .
N16 C24 N18 N17 0.6(5) . .
C23 N17 N18 C24 -0.7(5) . .
C22 N17 N18 C24 176.0(4) . .
