#------------------------------------------------------------------------------
#$Date: 2016-03-13 16:12:10 +0200 (Sun, 13 Mar 2016) $
#$Revision: 178188 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/28/1542860.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_1542860
loop_
_publ_author_name
'Jiang, Ji-Jun'
'He, Jian-Rong'
'Lü, Xing-Qiang'
'Wang, Da-Wei'
'Li, Guo-Bi'
'Su, Cheng-Yong'
_publ_section_title
;
 Structural disorder and transformation in crystal growth: direct
 observation of ring-opening isomerization in a metal--organic solid
 solution
;
_journal_issue                   5
_journal_name_full               IUCrJ
_journal_page_first              318
_journal_page_last               327
_journal_paper_doi               10.1107/S2052252514015966
_journal_volume                  1
_journal_year                    2014
_chemical_formula_sum            'C44 H40 Ag2 N12 O8'
_chemical_formula_weight         1080.62
_space_group_IT_number           57
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-07-18 # Formatted by IUCr publCIF

;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.6641(14)
_cell_length_b                   26.230(3)
_cell_length_c                   35.269(4)
_cell_measurement_temperature    293(2)
_cell_volume                     11716(2)
_computing_cell_refinement       'SAINT-Plus (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT-Plus
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART-1000 CCD'
_diffrn_measurement_method       'ω scans'
_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  0.0949
_diffrn_reflns_av_sigmaI/netI    0.1047
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            57799
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.15
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.720
_exptl_absorpt_correction_T_max  0.8912
_exptl_absorpt_correction_T_min  0.7571
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.225
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4368
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.281
_refine_diff_density_min         -1.523
_refine_diff_density_rms         0.127
_refine_ls_extinction_coef       0.00062(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     621
_refine_ls_number_reflns         11087
_refine_ls_number_restraints     84
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.1714
_refine_ls_R_factor_gt           0.1008
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0310P)²+100.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2135
_refine_ls_wR_factor_ref         0.2328
_reflns_number_gt                4492
_reflns_number_total             11087
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bi5033.cif
_cod_data_source_block           A_Pbcm
_cod_original_cell_volume        11715(2)
_cod_database_code               1542860
_publcif_datablock.id            {daff20cf-9b2d-45f6-ad12-2b26c85b41a9}
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x, y-1/2, 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 0.62671(7) 0.30867(3) -0.00020(3) 0.0533(3) Uani 0.819(2) 1 d P 1
Ag2 Ag 0.13060(7) 0.24800(4) -0.05127(3) 0.0578(3) Uani 0.819(2) 1 d P 1
O1 O 1.2279(6) 0.3845(3) 0.1638(2) 0.082(3) Uani 1 1 d . 1
O2 O 0.9221(6) 0.4756(3) 0.16470(17) 0.0592(19) Uani 1 1 d . 1
O3 O 0.0224(6) 0.3796(3) -0.1651(2) 0.071(2) Uani 1 1 d . 1
O4 O 0.3277(6) 0.4724(3) -0.16627(19) 0.064(2) Uani 1 1 d . 1
O5 O 0.4221(6) 0.0206(3) -0.16484(19) 0.065(2) Uani 1 1 d . 1
O6 O 0.7198(8) 0.1167(3) -0.1646(2) 0.092(3) Uani 1 1 d . 1
O7 O -0.1698(7) 0.4739(3) -0.1651(2) 0.078(3) Uani 1 1 d . 1
O8 O -0.4703(6) 0.3768(4) -0.1647(3) 0.101(3) Uani 1 1 d . 1
N1 N 0.7378(7) 0.3126(4) 0.0434(3) 0.091(4) Uani 1 1 d . 1
N2 N 0.8490(7) 0.3467(4) 0.0823(3) 0.074(3) Uani 1 1 d U 1
N3 N 1.0724(7) 0.4273(3) 0.1542(2) 0.050(2) Uani 1 1 d . 1
N4 N 0.5185(7) 0.3094(3) -0.0435(2) 0.055(2) Uani 1 1 d . 1
N5 N 0.4051(7) 0.3427(4) -0.0832(2) 0.073(3) Uani 1 1 d U 1
N6 N 0.1741(6) 0.4253(3) -0.1554(2) 0.050(2) Uani 1 1 d . 1
N7 N 0.2434(7) 0.1882(3) -0.0479(3) 0.065(3) Uani 1 1 d . 1
N8 N 0.3525(8) 0.1296(3) -0.0649(3) 0.068(3) Uani 1 1 d . 1
N9 N 0.5666(7) 0.0712(3) -0.1546(2) 0.058(2) Uani 1 1 d . 1
N10 N 0.0170(7) 0.3070(4) -0.0460(2) 0.071(3) Uani 1 1 d . 1
N11 N -0.0928(7) 0.3646(3) -0.0684(3) 0.067(3) Uani 1 1 d . 1
N12 N -0.3145(7) 0.4226(3) -0.1547(2) 0.058(2) Uani 1 1 d U 1
C1 C 0.7894(12) 0.2768(6) 0.0656(4) 0.121(6) Uani 1 1 d . 1
H1A H 0.7730 0.2423 0.0653 0.145 Uiso 1 1 calc R 1
C2 C 0.7801(10) 0.3569(5) 0.0556(3) 0.074(3) Uani 1 1 d . 1
H2A H 0.7632 0.3892 0.0466 0.089 Uiso 1 1 calc R 1
C3 C 0.8598(10) 0.2953(5) 0.0861(3) 0.074(3) Uani 1 1 d U 1
H3A H 0.9089 0.2779 0.1008 0.089 Uiso 1 1 calc R 1
C4 C 0.9094(9) 0.3869(5) 0.1031(4) 0.092(5) Uani 1 1 d . 1
H4A H 0.8772 0.4197 0.0979 0.110 Uiso 1 1 calc R 1
H4B H 0.9032 0.3805 0.1301 0.110 Uiso 1 1 calc R 1
C5 C 1.0167(8) 0.3895(4) 0.0936(3) 0.056(3) Uani 1 1 d . 1
H5A H 1.0227 0.3937 0.0664 0.067 Uiso 1 1 calc R 1
H5B H 1.0496 0.3573 0.1002 0.067 Uiso 1 1 calc R 1
C6 C 1.0793(9) 0.4330(4) 0.1131(3) 0.064(3) Uani 1 1 d . 1
H6A H 1.1527 0.4317 0.1052 0.077 Uiso 1 1 calc R 1
H6B H 1.0505 0.4657 0.1056 0.077 Uiso 1 1 calc R 1
C7 C 0.9932(8) 0.4506(4) 0.1772(3) 0.054(3) Uani 1 1 d . 1
C8 C 1.0267(7) 0.4420(4) 0.2169(2) 0.043(2) Uani 1 1 d . 1
C9 C 1.1262(6) 0.4154(3) 0.2168(3) 0.035(2) Uani 1 1 d . 1
C10 C 1.1502(8) 0.4083(4) 0.1762(3) 0.048(2) Uani 1 1 d . 1
C11 C 1.1738(11) 0.4000(6) 0.2500 0.057(4) Uani 1 2 d S 1
H11A H 1.2348 0.3803 0.2500 0.068 Uiso 1 2 calc SR 1
C12 C 0.9779(11) 0.4573(4) 0.2500 0.043(3) Uani 1 2 d S 1
H12A H 0.9162 0.4766 0.2500 0.052 Uiso 1 2 calc SR 1
C13 C 0.4803(8) 0.3514(5) -0.0590(4) 0.073(4) Uani 1 1 d . 1
H13A H 0.5048 0.3839 -0.0532 0.088 Uiso 1 1 calc R 1
C14 C 0.3498(8) 0.3873(6) -0.1023(4) 0.096(4) Uani 1 1 d U 1
H14A H 0.3802 0.4190 -0.0934 0.115 Uiso 1 1 calc R 1
H14B H 0.3602 0.3853 -0.1295 0.115 Uiso 1 1 calc R 1
C15 C 0.2330(8) 0.3864(5) -0.0935(3) 0.081(4) Uani 1 1 d . 1
H15A H 0.2226 0.3907 -0.0664 0.097 Uiso 1 1 calc R 1
H15B H 0.2037 0.3536 -0.1007 0.097 Uiso 1 1 calc R 1
C16 C 0.1762(9) 0.4285(4) -0.1146(3) 0.062(3) Uani 1 1 d . 1
H16A H 0.1038 0.4294 -0.1057 0.075 Uiso 1 1 calc R 1
H16B H 0.2087 0.4606 -0.1077 0.075 Uiso 1 1 calc R 1
C17 C 0.1005(7) 0.3994(3) -0.1778(3) 0.051(3) Uani 1 1 d . 1
C18 C 0.1219(10) 0.4094(4) -0.2164(3) 0.073(4) Uani 1 1 d . 1
C19 C 0.2193(7) 0.4403(3) -0.2168(2) 0.040(2) Uani 1 1 d . 1
C20 C 0.2492(8) 0.4492(4) -0.1775(3) 0.050(3) Uani 1 1 d . 1
C21 C 0.2716(11) 0.4536(5) -0.2500 0.049(4) Uani 1 2 d S 1
H21A H 0.3365 0.4702 -0.2500 0.059 Uiso 1 2 calc SR 1
C22 C 0.0818(11) 0.3945(5) -0.2500 0.048(3) Uani 1 2 d S 1
H22A H 0.0235 0.3730 -0.2500 0.057 Uiso 1 2 calc SR 1
C23 C 0.3829(10) 0.2909(5) -0.0862(3) 0.076(3) Uani 1 1 d U 1
H23A H 0.3330 0.2739 -0.1009 0.091 Uiso 1 1 calc R 1
C24 C 0.4605(11) 0.2711(5) -0.0598(4) 0.109(5) Uani 1 1 d . 1
H24A H 0.4698 0.2367 -0.0546 0.131 Uiso 1 1 calc R 1
C26 C 0.2830(9) 0.1648(4) -0.0770(4) 0.079(4) Uani 1 1 d . 1
H26A H 0.2660 0.1713 -0.1022 0.095 Uiso 1 1 calc R 1
C27 C 0.2876(14) 0.1648(6) -0.0168(3) 0.115(6) Uani 1 1 d . 1
H27A H 0.2714 0.1726 0.0082 0.138 Uiso 1 1 calc R 1
C28 C 0.3578(11) 0.1291(5) -0.0278(3) 0.089(5) Uani 1 1 d . 1
H28A H 0.4002 0.1087 -0.0125 0.107 Uiso 1 1 calc R 1
C29 C 0.4100(11) 0.0969(6) -0.0938(4) 0.119(6) Uani 1 1 d . 1
H29A H 0.3922 0.0614 -0.0895 0.143 Uiso 1 1 calc R 1
H29B H 0.3862 0.1059 -0.1190 0.143 Uiso 1 1 calc R 1
C30 C 0.5192(9) 0.1026(6) -0.0918(3) 0.089(4) Uani 1 1 d . 1
H30A H 0.5413 0.1009 -0.0656 0.107 Uiso 1 1 calc R 1
H30B H 0.5384 0.1359 -0.1016 0.107 Uiso 1 1 calc R 1
C31 C 0.5769(8) 0.0616(5) -0.1145(3) 0.079(4) Uani 1 1 d . 1
H31A H 0.6510 0.0614 -0.1076 0.095 Uiso 1 1 calc R 1
H31B H 0.5476 0.0284 -0.1085 0.095 Uiso 1 1 calc R 1
C32 C 0.4932(8) 0.0447(4) -0.1761(3) 0.052(3) Uani 1 1 d . 1
C33 C 0.5247(8) 0.0566(4) -0.2169(3) 0.052(3) Uani 1 1 d . 1
C34 C 0.6060(7) 0.0885(5) -0.2180(3) 0.061(3) Uani 1 1 d . 1
C35 C 0.6400(9) 0.0995(5) -0.1772(3) 0.074(4) Uani 1 1 d . 1
C36 C 0.6568(13) 0.1029(6) -0.2500 0.065(4) Uani 1 2 d S 1
H36A H 0.7201 0.1209 -0.2500 0.078 Uiso 1 2 calc SR 1
C37 C 0.4749(12) 0.0402(5) -0.2500 0.053(4) Uani 1 2 d S 1
H37A H 0.4143 0.0203 -0.2500 0.063 Uiso 1 2 calc SR 1
C39 C -0.0220(8) 0.3305(5) -0.0765(3) 0.067(3) Uani 1 1 d . 1
H39A H -0.0005 0.3232 -0.1012 0.081 Uiso 1 1 calc R 1
C40 C -0.1079(12) 0.3622(5) -0.0294(3) 0.096(5) Uani 1 1 d . 1
H40A H -0.1556 0.3800 -0.0144 0.115 Uiso 1 1 calc R 1
C41 C -0.0321(12) 0.3256(5) -0.0187(3) 0.111(6) Uani 1 1 d . 1
H41A H -0.0199 0.3162 0.0063 0.133 Uiso 1 1 calc R 1
C42 C -0.1454(8) 0.3988(4) -0.0945(3) 0.060(3) Uani 1 1 d . 1
H42A H -0.1247 0.3911 -0.1203 0.072 Uiso 1 1 calc R 1
H42B H -0.1261 0.4338 -0.0890 0.072 Uiso 1 1 calc R 1
C43 C -0.2673(9) 0.3915(4) -0.0897(3) 0.073(3) Uani 1 1 d . 1
H43A H -0.2865 0.3572 -0.0974 0.087 Uiso 1 1 calc R 1
H43B H -0.2858 0.3954 -0.0631 0.087 Uiso 1 1 calc R 1
C44 C -0.3294(9) 0.4299(4) -0.1132(2) 0.056(3) Uani 1 1 d . 1
H44A H -0.4039 0.4267 -0.1072 0.067 Uiso 1 1 calc R 1
H44B H -0.3073 0.4641 -0.1063 0.067 Uiso 1 1 calc R 1
C45 C -0.3947(11) 0.4034(5) -0.1756(4) 0.074(3) Uani 1 1 d U 1
C46 C -0.3563(7) 0.4104(4) -0.2164(3) 0.049(2) Uani 1 1 d U 1
C47 C -0.2676(8) 0.4375(3) -0.2172(3) 0.050(3) Uani 1 1 d . 1
C48 C -0.2411(10) 0.4484(4) -0.1764(3) 0.057(3) Uani 1 1 d . 1
C49 C -0.2161(13) 0.4504(5) -0.2500 0.060(4) Uani 1 2 d S 1
H49A H -0.1509 0.4667 -0.2500 0.072 Uiso 1 2 calc SR 1
C50 C -0.4153(3) 0.39209(17) -0.2500 0.070(5) Uani 1 2 d S 1
H50 H -0.4772 0.3730 -0.2500 0.084 Uiso 1 2 calc SR 1
Ag1' Ag 0.1233(3) 0.30774(17) 0.0017 0.143(4) Uani 0.181(2) 1 d PRU 2
Ag2' Ag 0.6152(3) 0.25378(17) -0.0544 0.155(4) Uani 0.181(2) 1 d PRU 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
N4 Ag1 N1 176.6(4) . .
N4 Ag1 Ag1 90.7(2) . 4
N1 Ag1 Ag1 92.6(3) . 4
N10 Ag2 N7 171.7(3) . .
C2 N1 C1 102.4(11) . .
C2 N1 Ag1 123.0(8) . .
C1 N1 Ag1 134.6(9) . .
C2 N2 C3 110.0(10) . .
C2 N2 C4 123.2(12) . .
C3 N2 C4 126.7(11) . .
C10 N3 C7 110.2(8) . .
C10 N3 C6 124.3(9) . .
C7 N3 C6 124.3(8) . .
C13 N4 C24 104.0(9) . .
C13 N4 Ag1 124.0(8) . .
C24 N4 Ag1 131.6(7) . .
C13 N5 C23 111.7(10) . .
C13 N5 C14 119.5(12) . .
C23 N5 C14 128.7(11) . .
C20 N6 C17 111.0(8) . .
C20 N6 C16 121.7(9) . .
C17 N6 C16 127.2(9) . .
C26 N7 C27 105.2(11) . .
C26 N7 Ag2 124.4(8) . .
C27 N7 Ag2 130.4(9) . .
C28 N8 C26 111.0(10) . .
C28 N8 C29 129.7(11) . .
C26 N8 C29 119.3(11) . .
C32 N9 C35 113.1(9) . .
C32 N9 C31 120.5(10) . .
C35 N9 C31 125.2(9) . .
C41 N10 C39 104.9(10) . .
C41 N10 Ag2 133.8(8) . .
C39 N10 Ag2 121.1(8) . .
C39 N11 C40 106.3(8) . .
C39 N11 C42 127.3(10) . .
C40 N11 C42 126.4(10) . .
C45 N12 C48 112.8(9) . .
C45 N12 C44 119.2(9) . .
C48 N12 C44 124.6(9) . .
C3 C1 N1 113.7(13) . .
C3 C1 H1A 123.1 . .
N1 C1 H1A 123.1 . .
N2 C2 N1 108.4(11) . .
N2 C2 H2A 125.8 . .
N1 C2 H2A 125.8 . .
C1 C3 N2 104.8(11) . .
C1 C3 H3A 127.6 . .
N2 C3 H3A 127.6 . .
C5 C4 N2 114.5(9) . .
C5 C4 H4A 108.6 . .
N2 C4 H4A 108.6 . .
C5 C4 H4B 108.6 . .
N2 C4 H4B 108.6 . .
H4A C4 H4B 107.6 . .
C4 C5 C6 115.3(9) . .
C4 C5 H5A 108.4 . .
C6 C5 H5A 108.4 . .
C4 C5 H5B 108.4 . .
C6 C5 H5B 108.4 . .
H5A C5 H5B 107.5 . .
N3 C6 C5 109.5(8) . .
N3 C6 H6A 109.8 . .
C5 C6 H6A 109.8 . .
N3 C6 H6B 109.8 . .
C5 C6 H6B 109.8 . .
H6A C6 H6B 108.2 . .
O2 C7 N3 123.6(9) . .
O2 C7 C8 130.3(10) . .
N3 C7 C8 105.7(8) . .
C12 C8 C9 122.3(9) . .
C12 C8 C7 128.9(9) . .
C9 C8 C7 108.8(8) . .
C11 C9 C8 121.6(9) . .
C11 C9 C10 134.3(9) . .
C8 C9 C10 104.0(8) . .
O1 C10 N3 124.2(9) . .
O1 C10 C9 124.4(9) . .
N3 C10 C9 111.2(9) . .
C9 C11 C9 116.4(13) . 6_556
C9 C11 H11A 121.8 . .
C9 C11 H11A 121.8 6_556 .
C8 C12 C8 115.5(12) 6_556 .
C8 C12 H12A 122.3 6_556 .
C8 C12 H12A 122.3 . .
N5 C13 N4 113.1(11) . .
N5 C13 H13A 123.4 . .
N4 C13 H13A 123.4 . .
C15 C14 N5 110.3(9) . .
C15 C14 H14A 109.6 . .
N5 C14 H14A 109.6 . .
C15 C14 H14B 109.6 . .
N5 C14 H14B 109.6 . .
H14A C14 H14B 108.1 . .
C14 C15 C16 110.7(9) . .
C14 C15 H15A 109.5 . .
C16 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
C16 C15 H15B 109.5 . .
H15A C15 H15B 108.1 . .
N6 C16 C15 117.2(9) . .
N6 C16 H16A 108.0 . .
C15 C16 H16A 108.0 . .
N6 C16 H16B 108.0 . .
C15 C16 H16B 108.0 . .
H16A C16 H16B 107.2 . .
O3 C17 N6 123.0(10) . .
O3 C17 C18 126.7(11) . .
N6 C17 C18 109.1(8) . .
C22 C18 C17 136.1(11) . .
C22 C18 C19 117.9(11) . .
C17 C18 C19 105.7(9) . .
C21 C19 C20 129.6(9) . .
C21 C19 C18 122.8(9) . .
C20 C19 C18 107.4(8) . .
O4 C20 N6 126.7(10) . .
O4 C20 C19 126.6(9) . .
N6 C20 C19 106.6(8) . .
C19 C21 C19 114.9(13) 6 .
C19 C21 H21A 122.6 6 .
C19 C21 H21A 122.6 . .
C18 C22 C18 123.2(15) . 6
C18 C22 H22A 118.4 . .
C18 C22 H22A 118.4 6 .
N5 C23 C24 99.4(10) . .
N5 C23 H23A 130.3 . .
C24 C23 H23A 130.3 . .
N4 C24 C23 111.8(11) . .
N4 C24 H24A 124.1 . .
C23 C24 H24A 124.1 . .
N7 C26 N8 109.0(12) . .
N7 C26 H26A 125.5 . .
N8 C26 H26A 125.5 . .
C28 C27 N7 110.5(11) . .
C28 C27 H27A 124.7 . .
N7 C27 H27A 124.7 . .
N8 C28 C27 104.2(10) . .
N8 C28 H28A 127.9 . .
C27 C28 H28A 127.9 . .
C30 C29 N8 112.5(12) . .
C30 C29 H29A 109.1 . .
N8 C29 H29A 109.1 . .
C30 C29 H29B 109.1 . .
N8 C29 H29B 109.1 . .
H29A C29 H29B 107.8 . .
C29 C30 C31 111.9(11) . .
C29 C30 H30A 109.2 . .
C31 C30 H30A 109.2 . .
C29 C30 H30B 109.2 . .
C31 C30 H30B 109.2 . .
H30A C30 H30B 107.9 . .
N9 C31 C30 110.3(10) . .
N9 C31 H31A 109.6 . .
C30 C31 H31A 109.6 . .
N9 C31 H31B 109.6 . .
C30 C31 H31B 109.6 . .
H31A C31 H31B 108.1 . .
O5 C32 N9 127.1(11) . .
O5 C32 C33 129.2(10) . .
N9 C32 C33 103.7(9) . .
C34 C33 C37 121.4(11) . .
C34 C33 C32 111.0(9) . .
C37 C33 C32 127.5(10) . .
C33 C34 C36 124.7(11) . .
C33 C34 C35 108.1(10) . .
C36 C34 C35 126.7(10) . .
O6 C35 N9 122.8(12) . .
O6 C35 C34 131.2(11) . .
N9 C35 C34 104.0(9) . .
C34 C36 C34 113.0(14) 6 .
C34 C36 H36A 123.5 6 .
C34 C36 H36A 123.5 . .
C33 C37 C33 113.7(14) . 6
C33 C37 H37A 123.2 . .
C33 C37 H37A 123.2 6 .
N11 C39 N10 113.3(10) . .
N11 C39 H39A 123.3 . .
N10 C39 H39A 123.3 . .
N11 C40 C41 101.7(10) . .
N11 C40 H40A 129.1 . .
C41 C40 H40A 129.1 . .
N10 C41 C40 113.6(11) . .
N10 C41 H41A 123.2 . .
C40 C41 H41A 123.2 . .
N11 C42 C43 108.1(8) . .
N11 C42 H42A 110.1 . .
C43 C42 H42A 110.1 . .
N11 C42 H42B 110.1 . .
C43 C42 H42B 110.1 . .
H42A C42 H42B 108.4 . .
C44 C43 C42 111.6(8) . .
C44 C43 H43A 109.3 . .
C42 C43 H43A 109.3 . .
C44 C43 H43B 109.3 . .
C42 C43 H43B 109.3 . .
H43A C43 H43B 108.0 . .
N12 C44 C43 112.7(9) . .
N12 C44 H44A 109.1 . .
C43 C44 H44A 109.1 . .
N12 C44 H44B 109.1 . .
C43 C44 H44B 109.1 . .
H44A C44 H44B 107.8 . .
O8 C45 N12 128.3(12) . .
O8 C45 C46 127.0(13) . .
N12 C45 C46 103.2(10) . .
C47 C46 C50 125.6(9) . .
C47 C46 C45 110.7(10) . .
C50 C46 C45 123.6(8) . .
C46 C47 C49 123.6(11) . .
C46 C47 C48 105.6(9) . .
C49 C47 C48 130.9(10) . .
O7 C48 N12 126.9(10) . .
O7 C48 C47 126.4(10) . .
N12 C48 C47 106.7(10) . .
C47 C49 C47 115.1(15) 6 .
C47 C49 H49A 122.4 6 .
C47 C49 H49A 122.4 . .
C46 C50 C46 106.3(8) . 6
C46 C50 H50 126.9 . .
C46 C50 H50 126.9 6 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N4 2.053(8) .
Ag1 N1 2.087(10) .
Ag1 Ag1 3.0776(17) 4
Ag2 N10 2.121(9) .
Ag2 N7 2.124(8) .
O1 C10 1.244(11) .
O2 C7 1.196(11) .
O3 C17 1.204(10) .
O4 C20 1.230(11) .
O5 C32 1.169(11) .
O6 C35 1.192(12) .
O7 C48 1.193(13) .
O8 C45 1.243(14) .
N1 C2 1.351(14) .
N1 C1 1.386(14) .
N2 C2 1.310(13) .
N2 C3 1.360(14) .
N2 C4 1.495(14) .
N3 C10 1.349(12) .
N3 C7 1.428(12) .
N3 C6 1.459(12) .
N4 C13 1.322(12) .
N4 C24 1.370(14) .
N5 C13 1.299(13) .
N5 C23 1.392(14) .
N5 C14 1.520(14) .
N6 C20 1.382(11) .
N6 C17 1.400(12) .
N6 C16 1.440(11) .
N7 C26 1.299(14) .
N7 C27 1.375(14) .
N8 C28 1.312(13) .
N8 C26 1.345(13) .
N8 C29 1.518(14) .
N9 C32 1.386(12) .
N9 C35 1.431(14) .
N9 C31 1.443(14) .
N10 C41 1.244(13) .
N10 C39 1.336(11) .
N11 C39 1.299(13) .
N11 C40 1.390(13) .
N11 C42 1.446(12) .
N12 C45 1.352(15) .
N12 C48 1.380(13) .
N12 C44 1.488(12) .
C1 C3 1.245(16) .
C1 H1A 0.9300 .
C2 H2A 0.9300 .
C3 H3A 0.9300 .
C4 C5 1.401(14) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C6 1.549(14) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C8 1.480(13) .
C8 C12 1.381(11) .
C8 C9 1.441(11) .
C9 C11 1.377(11) .
C9 C10 1.478(13) .
C11 C9 1.377(11) 6_556
C11 H11A 0.9300 .
C12 C8 1.381(11) 6_556
C12 H12A 0.9300 .
C13 H13A 0.9300 .
C14 C15 1.512(14) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C16 1.514(13) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 C18 1.413(15) .
C18 C22 1.346(12) .
C18 C19 1.476(14) .
C19 C21 1.391(11) .
C19 C20 1.454(13) .
C21 C19 1.391(11) 6
C21 H21A 0.9300 .
C22 C18 1.346(12) 6
C22 H22A 0.9300 .
C23 C24 1.449(15) .
C23 H23A 0.9300 .
C24 H24A 0.9300 .
C26 H26A 0.9300 .
C27 C28 1.348(17) .
C27 H27A 0.9300 .
C28 H28A 0.9300 .
C29 C30 1.392(16) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 C31 1.527(15) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 C33 1.527(14) .
C33 C34 1.327(14) .
C33 C37 1.393(12) .
C34 C36 1.352(13) .
C34 C35 1.531(15) .
C36 C34 1.352(13) 6
C36 H36A 0.9300 .
C37 C33 1.393(12) 6
C37 H37A 0.9300 .
C39 H39A 0.9300 .
C40 C41 1.409(15) .
C40 H40A 0.9300 .
C41 H41A 0.9300 .
C42 C43 1.564(14) .
C42 H42A 0.9700 .
C42 H42B 0.9700 .
C43 C44 1.524(13) .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C44 H44A 0.9700 .
C44 H44B 0.9700 .
C45 C46 1.532(15) .
C46 C47 1.330(12) .
C46 C50 1.481(10) .
C47 C49 1.370(12) .
C47 C48 1.506(14) .
C49 C47 1.370(12) 6
C49 H49A 0.9300 .
C50 C46 1.481(10) 6
C50 H50 0.9300 .
Ag1' Ag1' 3.031(9) 4
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.006 0.000 0.000 290 149 ' '
2 0.068 0.000 0.500 290 150 ' '
3 0.914 0.249 0.750 620 330 ' '
4 0.331 0.251 0.250 620 329 ' '
5 0.039 0.500 0.000 290 149 ' '
6 0.142 0.500 0.500 290 149 ' '
7 0.085 0.749 0.750 620 333 ' '
8 0.667 0.751 0.250 620 334 ' '
