#------------------------------------------------------------------------------
#$Date: 2017-10-25 05:00:25 +0300 (Wed, 25 Oct 2017) $
#$Revision: 202289 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/93/7229387.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_7229387
loop_
_publ_author_name
'Chen, Jing-Min'
'Zhou, Qian-Kun'
'Hou, Yi-Xuan'
'Liu, Dong'
_publ_section_title
;
 Single-crystal-to-single-crystal conversions of two metal-mediated
 photoreactive coordination polymers based on stereoselective [2+2]
 photocycloaddition reactions
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/C7CE01402C
_journal_year                    2017
_chemical_formula_moiety         'C33 H27 Ag2 N4 O4, C21 H16 Ag N2 O4, H2 O'
_chemical_formula_sum            'C54 H45 Ag3 N6 O9'
_chemical_formula_weight         1245.57
_space_group_crystal_system      monoclinic
_space_group_IT_number           7
_space_group_name_Hall           'P -2yac'
_space_group_name_H-M_alt        'P 1 n 1'
_symmetry_space_group_name_Hall  'P -2yac'
_symmetry_space_group_name_H-M   'P 1 n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-10-12 deposited with the CCDC.
2017-10-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.96(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.311(3)
_cell_length_b                   9.802(2)
_cell_length_c                   19.394(4)
_cell_measurement_reflns_used    35729
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.53
_cell_measurement_theta_min      3.052
_cell_volume                     2466.0(10)
_computing_cell_refinement       'SMART (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2009)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2010)'
_computing_structure_refinement  'SHELXL2014 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2015)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0649
_diffrn_reflns_av_unetI/netI     0.0711
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            35729
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.523
_diffrn_reflns_theta_min         2.938
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.244
_exptl_absorpt_correction_T_max  0.896
_exptl_absorpt_correction_T_min  0.843
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2008'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.678
_exptl_crystal_description       block
_exptl_crystal_F_000             1248
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.080
_refine_diff_density_max         2.435
_refine_diff_density_min         -1.271
_refine_diff_density_rms         0.156
_refine_ls_abs_structure_details
;
 Flack x determined using 2660 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.010(17)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     652
_refine_ls_number_reflns         10493
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.115
_refine_ls_R_factor_all          0.1359
_refine_ls_R_factor_gt           0.0962
_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)+(0.0944P)²+19.3305P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2170
_refine_ls_wR_factor_ref         0.2412
_reflns_Friedel_coverage         0.998
_reflns_Friedel_fraction_full    0.997
_reflns_Friedel_fraction_max     0.992
_reflns_number_gt                7519
_reflns_number_total             10493
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7ce01402c2.cif
_cod_data_source_block           1554533
_cod_database_code               7229387
_shelx_shelxl_version_number     2014/7
_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   0.865
_shelx_estimated_absorpt_t_max   0.907
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y, z+1/2'
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
Ag1 Ag 1.00000(13) 0.31550(18) 0.38994(11) 0.0650(5) Uani 1 1 d . .
Ag2 Ag 0.94478(11) 0.28170(14) 0.22488(9) 0.0537(4) Uani 1 1 d . .
Ag3 Ag 0.74998(15) 0.24814(19) 0.05784(14) 0.0764(7) Uani 1 1 d . .
N1 N 0.9925(12) 0.5434(15) 0.4228(8) 0.042(3) Uani 1 1 d . .
N2 N 1.1543(17) 1.236(2) 0.3759(13) 0.066(7) Uani 1 1 d . .
N3 N 0.9123(11) 0.5005(16) 0.2307(8) 0.041(4) Uani 1 1 d . .
N4 N 1.0828(13) 1.1799(15) 0.2007(9) 0.044(4) Uani 1 1 d . .
N5 N 0.7927(14) 0.0257(13) 0.0579(11) 0.057(5) Uani 1 1 d . .
N6 N 0.6180(13) -0.6612(16) 0.0954(10) 0.049(4) Uani 1 1 d . .
O1 O 0.8401(15) 0.212(2) 0.3631(11) 0.087(6) Uani 1 1 d . .
O2 O 0.8143(16) 0.168(3) 0.2462(13) 0.120(11) Uani 1 1 d . .
O3 O 0.4131(12) -0.2024(19) 0.2035(9) 0.071(5) Uani 1 1 d . .
H3O H 0.3775 -0.2267 0.1647 0.107 Uiso 1 1 calc R U
O4 O 0.5016(14) -0.089(2) 0.1367(9) 0.089(6) Uani 1 1 d . .
O5 O 0.8972(12) 0.3777(15) 0.0653(9) 0.060(4) Uani 1 1 d . .
O6 O 0.8512(14) 0.324(2) -0.0492(10) 0.090(6) Uani 1 1 d . .
O7 O 1.2021(15) 0.641(2) 0.1616(10) 0.086(6) Uani 1 1 d . .
O8 O 1.2961(12) 0.7270(18) 0.0904(9) 0.065(4) Uani 1 1 d . .
O9 O 0.9446(16) 0.136(3) 0.4936(10) 0.106(7) Uani 1 1 d . .
H1W H 0.9822 0.0979 0.5295 0.159 Uiso 1 1 d R U
H2W H 0.9483 0.1341 0.4504 0.159 Uiso 1 1 d R U
C1 C 0.914(2) 0.594(2) 0.4503(12) 0.067(6) Uani 1 1 d . .
H1 H 0.8686 0.5338 0.4663 0.081 Uiso 1 1 calc R U
C2 C 0.901(2) 0.730(3) 0.4540(14) 0.075(7) Uani 1 1 d . .
H2 H 0.8488 0.7627 0.4755 0.090 Uiso 1 1 calc R U
C3 C 0.9578(17) 0.8218(19) 0.4290(11) 0.051(5) Uani 1 1 d . .
H3 H 0.9445 0.9155 0.4322 0.061 Uiso 1 1 calc R U
C4 C 1.0364(18) 0.778(2) 0.3984(11) 0.049(6) Uani 1 1 d . .
C5 C 1.0541(13) 0.632(2) 0.4000(10) 0.040(4) Uani 1 1 d . .
H5 H 1.1112 0.5979 0.3844 0.048 Uiso 1 1 calc R U
C6 C 1.0993(16) 0.8500(17) 0.3564(11) 0.048(5) Uani 1 1 d . .
H6 H 1.1736 0.8297 0.3734 0.058 Uiso 1 1 calc R U
C7 C 1.0804(13) 1.0048(16) 0.3396(10) 0.039(4) Uani 1 1 d . .
H7 H 1.0206 1.0368 0.3577 0.046 Uiso 1 1 calc R U
C8 C 1.1713(15) 1.1024(17) 0.3635(12) 0.049(5) Uani 1 1 d . .
C9 C 1.2679(13) 1.059(2) 0.3580(13) 0.051(5) Uani 1 1 d . .
H9 H 1.2794 0.9670 0.3480 0.062 Uiso 1 1 calc R U
C10 C 1.346(2) 1.152(3) 0.3673(16) 0.079(7) Uani 1 1 d . .
H10 H 1.4136 1.1241 0.3657 0.095 Uiso 1 1 calc R U
C11 C 1.326(2) 1.283(3) 0.3788(18) 0.081(8) Uani 1 1 d . .
H11 H 1.3778 1.3496 0.3824 0.098 Uiso 1 1 calc R U
C12 C 1.2296(19) 1.319(2) 0.3851(12) 0.065(6) Uani 1 1 d . .
H12 H 1.2180 1.4094 0.3968 0.078 Uiso 1 1 calc R U
C13 C 0.8117(17) 0.545(2) 0.2337(11) 0.052(5) Uani 1 1 d . .
H13 H 0.7585 0.4797 0.2282 0.062 Uiso 1 1 calc R U
C14 C 0.7902(18) 0.676(2) 0.2442(12) 0.056(5) Uani 1 1 d . .
H14 H 0.7230 0.7015 0.2466 0.067 Uiso 1 1 calc R U
C15 C 0.8683(16) 0.774(2) 0.2517(11) 0.046(5) Uani 1 1 d . .
H15 H 0.8533 0.8665 0.2571 0.055 Uiso 1 1 calc R U
C16 C 0.9650(17) 0.7350(15) 0.2509(9) 0.041(5) Uani 1 1 d . .
C17 C 0.9815(14) 0.5985(14) 0.2386(9) 0.033(4) Uani 1 1 d . .
H17 H 1.0486 0.5734 0.2357 0.040 Uiso 1 1 calc R U
C18 C 1.0613(12) 0.8238(15) 0.2723(10) 0.035(4) Uani 1 1 d . .
H18 H 1.1181 0.7882 0.2521 0.042 Uiso 1 1 calc R U
C19 C 1.0476(13) 0.9797(16) 0.2599(10) 0.039(4) Uani 1 1 d . .
H19 H 0.9733 1.0006 0.2436 0.047 Uiso 1 1 calc R U
C20 C 1.1061(14) 1.0482(16) 0.2112(10) 0.037(4) Uani 1 1 d . .
C21 C 1.1823(15) 0.992(2) 0.1856(13) 0.052(5) Uani 1 1 d . .
H21 H 1.1974 0.8982 0.1925 0.063 Uiso 1 1 calc R U
C22 C 1.2389(19) 1.073(2) 0.1487(12) 0.060(6) Uani 1 1 d . .
H22 H 1.2937 1.0337 0.1322 0.072 Uiso 1 1 calc R U
C23 C 1.2173(18) 1.202(2) 0.1367(14) 0.065(6) Uani 1 1 d . .
H23 H 1.2539 1.2557 0.1106 0.078 Uiso 1 1 calc R U
C24 C 1.1376(19) 1.2563(18) 0.1641(15) 0.064(7) Uani 1 1 d . .
H24 H 1.1215 1.3493 0.1570 0.077 Uiso 1 1 calc R U
C25 C 0.8890(17) -0.010(2) 0.0596(14) 0.063(6) Uani 1 1 d . .
H25 H 0.9388 0.0568 0.0577 0.076 Uiso 1 1 calc R U
C26 C 0.9159(15) -0.146(2) 0.0640(14) 0.063(6) Uani 1 1 d . .
H26 H 0.9851 -0.1693 0.0669 0.075 Uiso 1 1 calc R U
C27 C 0.846(2) -0.247(2) 0.0645(14) 0.062(6) Uani 1 1 d . .
H27 H 0.8658 -0.3391 0.0679 0.075 Uiso 1 1 calc R U
C28 C 0.7397(17) -0.2059(15) 0.0595(13) 0.048(5) Uani 1 1 d . .
C29 C 0.7165(14) -0.0720(17) 0.0591(10) 0.041(4) Uani 1 1 d . .
H29 H 0.6491 -0.0442 0.0597 0.049 Uiso 1 1 calc R U
C30 C 0.6656(15) -0.306(2) 0.0696(15) 0.061(6) Uani 1 1 d . .
H30 H 0.6009 -0.2719 0.0727 0.074 Uiso 1 1 calc R U
C31 C 0.6757(16) -0.4412(19) 0.0751(11) 0.046(4) Uani 1 1 d . .
H31 H 0.7339 -0.4824 0.0639 0.056 Uiso 1 1 calc R U
C32 C 0.6003(15) -0.5268(17) 0.0975(10) 0.042(4) Uani 1 1 d . .
C33 C 0.5163(18) -0.478(2) 0.1275(12) 0.059(6) Uani 1 1 d . .
H33 H 0.5011 -0.3840 0.1268 0.070 Uiso 1 1 calc R U
C34 C 0.4605(19) -0.566(3) 0.1561(15) 0.079(8) Uani 1 1 d . .
H34 H 0.4087 -0.5368 0.1786 0.095 Uiso 1 1 calc R U
C35 C 0.484(2) -0.709(3) 0.1506(17) 0.085(9) Uani 1 1 d . .
H35 H 0.4446 -0.7751 0.1682 0.103 Uiso 1 1 calc R U
C36 C 0.5580(17) -0.749(2) 0.1219(14) 0.058(6) Uani 1 1 d . .
H36 H 0.5706 -0.8427 0.1193 0.070 Uiso 1 1 calc R U
C37 C 0.7050(13) 0.0575(19) 0.3149(10) 0.042(4) Uani 1 1 d . .
C38 C 0.6840(15) 0.034(2) 0.3835(12) 0.055(5) Uani 1 1 d . .
H38 H 0.7248 0.0756 0.4239 0.066 Uiso 1 1 calc R U
C39 C 0.603(2) -0.050(2) 0.3891(11) 0.061(6) Uani 1 1 d . .
C40 C 0.5416(15) -0.100(2) 0.3312(12) 0.053(5) Uani 1 1 d . .
H40 H 0.4852 -0.1539 0.3359 0.064 Uiso 1 1 calc R U
C41 C 0.5577(15) -0.0744(18) 0.2615(10) 0.044(4) Uani 1 1 d . .
C42 C 0.6420(11) 0.0050(17) 0.2559(11) 0.037(4) Uani 1 1 d . .
H42 H 0.6555 0.0224 0.2112 0.044 Uiso 1 1 calc R U
C43 C 0.7943(12) 0.149(2) 0.3082(13) 0.050(5) Uani 1 1 d . .
C44 C 0.4857(15) -0.127(2) 0.1938(14) 0.057(6) Uani 1 1 d . .
C45 C 0.584(2) -0.075(3) 0.4610(13) 0.083(9) Uani 1 1 d . .
H45A H 0.5199 -0.1256 0.4565 0.124 Uiso 1 1 calc R U
H45B H 0.5779 0.0117 0.4840 0.124 Uiso 1 1 calc R U
H45C H 0.6402 -0.1270 0.4891 0.124 Uiso 1 1 calc R U
C46 C 1.0030(12) 0.4582(16) -0.0071(10) 0.036(4) Uani 1 1 d . .
C47 C 1.0260(16) 0.462(2) -0.0750(10) 0.048(5) Uani 1 1 d . .
H47 H 0.9837 0.4154 -0.1132 0.057 Uiso 1 1 calc R U
C48 C 1.1113(17) 0.534(3) -0.0844(12) 0.060(6) Uani 1 1 d . .
C49 C 1.1728(15) 0.603(2) -0.0282(11) 0.046(4) Uani 1 1 d . .
H49 H 1.2297 0.6534 -0.0352 0.056 Uiso 1 1 calc R U
C50 C 1.1507(12) 0.5981(16) 0.0387(10) 0.035(4) Uani 1 1 d . .
C51 C 1.0653(15) 0.5271(17) 0.0470(10) 0.043(4) Uani 1 1 d . .
H51 H 1.0491 0.5261 0.0918 0.052 Uiso 1 1 calc R U
C52 C 0.9078(16) 0.379(2) 0.0062(16) 0.061(6) Uani 1 1 d . .
C53 C 1.2190(18) 0.661(2) 0.1002(12) 0.057(5) Uani 1 1 d . .
C54 C 1.138(3) 0.536(5) -0.1575(16) 0.140(18) Uani 1 1 d . .
H54A H 1.1487 0.4429 -0.1719 0.210 Uiso 1 1 calc R U
H54B H 1.2003 0.5883 -0.1551 0.210 Uiso 1 1 calc R U
H54C H 1.0817 0.5766 -0.1918 0.210 Uiso 1 1 calc R U
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
N2 Ag1 O1 129.4(8) 1_545 .
N2 Ag1 N1 117.3(6) 1_545 .
O1 Ag1 N1 112.9(7) . .
N2 Ag1 Ag2 81.5(6) 1_545 .
O1 Ag1 Ag2 74.4(5) . .
N1 Ag1 Ag2 111.5(4) . .
O2 Ag2 N3 108.4(8) . .
O2 Ag2 N4 122.7(8) . 1_545
N3 Ag2 N4 128.9(5) . 1_545
O2 Ag2 Ag1 82.8(6) . .
N3 Ag2 Ag1 81.3(4) . .
N4 Ag2 Ag1 104.3(4) 1_545 .
N6 Ag3 N5 127.0(6) 1_565 .
N6 Ag3 O5 118.6(6) 1_565 .
N5 Ag3 O5 108.7(6) . .
C5 N1 C1 118.4(17) . .
C5 N1 Ag1 117.6(13) . .
C1 N1 Ag1 122.3(13) . .
C12 N2 C8 119(2) . .
C12 N2 Ag1 118.0(19) . 1_565
C8 N2 Ag1 123.0(13) . 1_565
C17 N3 C13 114.5(15) . .
C17 N3 Ag2 125.3(12) . .
C13 N3 Ag2 119.8(12) . .
C20 N4 C24 118.9(17) . .
C20 N4 Ag2 125.1(13) . 1_565
C24 N4 Ag2 115.4(12) . 1_565
C25 N5 C29 121.3(16) . .
C25 N5 Ag3 120.1(13) . .
C29 N5 Ag3 118.6(12) . .
C32 N6 C36 119.4(18) . .
C32 N6 Ag3 123.8(14) . 1_545
C36 N6 Ag3 116.6(13) . 1_545
C43 O1 Ag1 130.6(16) . .
C43 O2 Ag2 125.8(15) . .
C44 O3 H3O 109.5 . .
C52 O5 Ag3 103.1(14) . .
H1W O9 H2W 129.9 . .
C2 C1 N1 120(2) . .
C2 C1 H1 120.2 . .
N1 C1 H1 120.2 . .
C3 C2 C1 124(2) . .
C3 C2 H2 118.1 . .
C1 C2 H2 118.1 . .
C2 C3 C4 120(2) . .
C2 C3 H3 120.2 . .
C4 C3 H3 120.2 . .
C3 C4 C5 115.6(19) . .
C3 C4 C6 132(2) . .
C5 C4 C6 112(2) . .
N1 C5 C4 122.6(18) . .
N1 C5 H5 118.7 . .
C4 C5 H5 118.7 . .
C4 C6 C7 119.8(18) . .
C4 C6 C18 113.2(16) . .
C7 C6 C18 86.8(13) . .
C4 C6 H6 111.6 . .
C7 C6 H6 111.6 . .
C18 C6 H6 111.6 . .
C19 C7 C8 115.7(15) . .
C19 C7 C6 92.9(13) . .
C8 C7 C6 117.7(16) . .
C19 C7 H7 109.8 . .
C8 C7 H7 109.8 . .
C6 C7 H7 109.8 . .
N2 C8 C9 120.5(17) . .
N2 C8 C7 120.2(18) . .
C9 C8 C7 118.0(17) . .
C10 C9 C8 119(2) . .
C10 C9 H9 120.6 . .
C8 C9 H9 120.6 . .
C11 C10 C9 119(2) . .
C11 C10 H10 120.6 . .
C9 C10 H10 120.6 . .
C10 C11 C12 119(2) . .
C10 C11 H11 120.3 . .
C12 C11 H11 120.3 . .
N2 C12 C11 124(2) . .
N2 C12 H12 118.2 . .
C11 C12 H12 118.2 . .
C14 C13 N3 122.2(18) . .
C14 C13 H13 118.9 . .
N3 C13 H13 118.9 . .
C13 C14 C15 120(2) . .
C13 C14 H14 120.2 . .
C15 C14 H14 120.2 . .
C16 C15 C14 119.5(19) . .
C16 C15 H15 120.2 . .
C14 C15 H15 120.2 . .
C15 C16 C17 117.7(18) . .
C15 C16 C18 125.5(15) . .
C17 C16 C18 116.2(16) . .
N3 C17 C16 126.3(17) . .
N3 C17 H17 116.8 . .
C16 C17 H17 116.8 . .
C16 C18 C19 117.2(13) . .
C16 C18 C6 114.7(14) . .
C19 C18 C6 89.9(13) . .
C16 C18 H18 111.1 . .
C19 C18 H18 111.1 . .
C6 C18 H18 111.1 . .
C20 C19 C7 119.4(15) . .
C20 C19 C18 118.4(14) . .
C7 C19 C18 90.3(13) . .
C20 C19 H19 109.1 . .
C7 C19 H19 109.1 . .
C18 C19 H19 109.1 . .
N4 C20 C21 120.8(17) . .
N4 C20 C19 113.1(15) . .
C21 C20 C19 125.8(15) . .
C20 C21 C22 119.4(18) . .
C20 C21 H21 120.3 . .
C22 C21 H21 120.3 . .
C23 C22 C21 121(2) . .
C23 C22 H22 119.3 . .
C21 C22 H22 119.3 . .
C22 C23 C24 117.2(19) . .
C22 C23 H23 121.4 . .
C24 C23 H23 121.4 . .
N4 C24 C23 122.3(17) . .
N4 C24 H24 118.9 . .
C23 C24 H24 118.9 . .
N5 C25 C26 119.8(19) . .
N5 C25 H25 120.1 . .
C26 C25 H25 120.1 . .
C27 C26 C25 122(2) . .
C27 C26 H26 118.8 . .
C25 C26 H26 118.8 . .
C26 C27 C28 117.1(19) . .
C26 C27 H27 121.5 . .
C28 C27 H27 121.5 . .
C29 C28 C30 120.3(18) . .
C29 C28 C27 119.1(18) . .
C30 C28 C27 119.3(17) . .
C28 C29 N5 120.1(17) . .
C28 C29 H29 120.0 . .
N5 C29 H29 120.0 . .
C31 C30 C28 129.1(19) . .
C31 C30 H30 115.4 . .
C28 C30 H30 115.4 . .
C30 C31 C32 122.4(18) . .
C30 C31 H31 118.8 . .
C32 C31 H31 118.8 . .
N6 C32 C31 115.0(17) . .
N6 C32 C33 119.5(18) . .
C31 C32 C33 125.2(16) . .
C34 C33 C32 120(2) . .
C34 C33 H33 120.0 . .
C32 C33 H33 120.0 . .
C33 C34 C35 117(2) . .
C33 C34 H34 121.7 . .
C35 C34 H34 121.7 . .
C36 C35 C34 121(2) . .
C36 C35 H35 119.4 . .
C34 C35 H35 119.4 . .
C35 C36 N6 123(2) . .
C35 C36 H36 118.4 . .
N6 C36 H36 118.4 . .
C42 C37 C38 120.5(18) . .
C42 C37 C43 120.0(18) . .
C38 C37 C43 119.4(18) . .
C39 C38 C37 119(2) . .
C39 C38 H38 120.5 . .
C37 C38 H38 120.5 . .
C40 C39 C38 120(2) . .
C40 C39 C45 122(2) . .
C38 C39 C45 118(2) . .
C39 C40 C41 122.5(19) . .
C39 C40 H40 118.7 . .
C41 C40 H40 118.7 . .
C42 C41 C40 117.7(17) . .
C42 C41 C44 118.8(19) . .
C40 C41 C44 123.5(19) . .
C37 C42 C41 120.2(19) . .
C37 C42 H42 119.9 . .
C41 C42 H42 119.9 . .
O1 C43 O2 123(2) . .
O1 C43 C37 117(2) . .
O2 C43 C37 119.3(19) . .
O4 C44 O3 127(2) . .
O4 C44 C41 118.1(19) . .
O3 C44 C41 115(2) . .
C39 C45 H45A 109.5 . .
C39 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
C39 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
C51 C46 C47 118.9(17) . .
C51 C46 C52 119.8(19) . .
C47 C46 C52 121.3(19) . .
C48 C47 C46 119.2(18) . .
C48 C47 H47 120.4 . .
C46 C47 H47 120.4 . .
C47 C48 C49 120.3(19) . .
C47 C48 C54 120(2) . .
C49 C48 C54 120(2) . .
C48 C49 C50 120.4(18) . .
C48 C49 H49 119.8 . .
C50 C49 H49 119.8 . .
C51 C50 C49 118.6(17) . .
C51 C50 C53 119.7(18) . .
C49 C50 C53 121.6(17) . .
C46 C51 C50 122.5(18) . .
C46 C51 H51 118.7 . .
C50 C51 H51 118.7 . .
O5 C52 O6 129(2) . .
O5 C52 C46 116(2) . .
O6 C52 C46 115(2) . .
O8 C53 O7 123(2) . .
O8 C53 C50 118.0(19) . .
O7 C53 C50 119(2) . .
C48 C54 H54A 109.5 . .
C48 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
C48 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N2 2.27(2) 1_545
Ag1 O1 2.311(18) .
Ag1 N1 2.331(15) .
Ag1 Ag2 3.137(3) .
Ag2 O2 2.18(2) .
Ag2 N3 2.195(16) .
Ag2 N4 2.231(16) 1_545
Ag3 N6 2.232(18) 1_565
Ag3 N5 2.253(14) .
Ag3 O5 2.312(14) .
N1 C5 1.33(2) .
N1 C1 1.37(3) .
N2 C12 1.27(3) .
N2 C8 1.36(3) .
N2 Ag1 2.27(2) 1_565
N3 C17 1.32(2) .
N3 C13 1.42(3) .
N4 C20 1.33(2) .
N4 C24 1.35(3) .
N4 Ag2 2.231(16) 1_565
N5 C25 1.32(3) .
N5 C29 1.40(2) .
N6 C32 1.34(2) .
N6 C36 1.35(3) .
N6 Ag3 2.232(18) 1_545
O1 C43 1.26(3) .
O2 C43 1.30(3) .
O3 C44 1.27(3) .
O3 H3O 0.8300 .
O4 C44 1.23(3) .
O5 C52 1.19(3) .
O6 C52 1.28(3) .
O7 C53 1.27(3) .
O8 C53 1.26(3) .
O9 H1W 0.8500 .
O9 H2W 0.8501 .
C1 C2 1.35(3) .
C1 H1 0.9400 .
C2 C3 1.33(3) .
C2 H2 0.9400 .
C3 C4 1.38(3) .
C3 H3 0.9400 .
C4 C5 1.45(3) .
C4 C6 1.47(3) .
C5 H5 0.9400 .
C6 C7 1.56(2) .
C6 C18 1.62(3) .
C6 H6 0.9900 .
C7 C19 1.53(3) .
C7 C8 1.53(2) .
C7 H7 0.9900 .
C8 C9 1.38(3) .
C9 C10 1.37(3) .
C9 H9 0.9400 .
C10 C11 1.35(4) .
C10 H10 0.9400 .
C11 C12 1.36(4) .
C11 H11 0.9400 .
C12 H12 0.9400 .
C13 C14 1.34(3) .
C13 H13 0.9400 .
C14 C15 1.40(3) .
C14 H14 0.9400 .
C15 C16 1.35(3) .
C15 H15 0.9400 .
C16 C17 1.38(2) .
C16 C18 1.53(3) .
C17 H17 0.9400 .
C18 C19 1.55(2) .
C18 H18 0.9900 .
C19 C20 1.51(2) .
C19 H19 0.9900 .
C20 C21 1.35(3) .
C21 C22 1.40(3) .
C21 H21 0.9400 .
C22 C23 1.31(3) .
C22 H22 0.9400 .
C23 C24 1.40(3) .
C23 H23 0.9400 .
C24 H24 0.9400 .
C25 C26 1.37(3) .
C25 H25 0.9400 .
C26 C27 1.36(3) .
C26 H26 0.9400 .
C27 C28 1.45(3) .
C27 H27 0.9400 .
C28 C29 1.35(2) .
C28 C30 1.44(2) .
C29 H29 0.9400 .
C30 C31 1.33(3) .
C30 H30 0.9400 .
C31 C32 1.45(3) .
C31 H31 0.9400 .
C32 C33 1.45(3) .
C33 C34 1.34(4) .
C33 H33 0.9400 .
C34 C35 1.45(4) .
C34 H34 0.9400 .
C35 C36 1.30(4) .
C35 H35 0.9400 .
C36 H36 0.9400 .
C37 C42 1.36(3) .
C37 C38 1.44(3) .
C37 C43 1.52(3) .
C38 C39 1.38(3) .
C38 H38 0.9400 .
C39 C40 1.33(3) .
C39 C45 1.50(3) .
C40 C41 1.44(3) .
C40 H40 0.9400 .
C41 C42 1.39(3) .
C41 C44 1.53(3) .
C42 H42 0.9400 .
C45 H45A 0.9700 .
C45 H45B 0.9700 .
C45 H45C 0.9700 .
C46 C51 1.36(3) .
C46 C47 1.42(3) .
C46 C52 1.56(3) .
C47 C48 1.38(3) .
C47 H47 0.9400 .
C48 C49 1.38(3) .
C48 C54 1.54(4) .
C49 C50 1.39(3) .
C49 H49 0.9400 .
C50 C51 1.37(3) .
C50 C53 1.46(3) .
C51 H51 0.9400 .
C54 H54A 0.9700 .
C54 H54B 0.9700 .
C54 H54C 0.9700 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O3 H3O O8 0.83 1.66 2.49(2) 174.3 1_445
