#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/16/7211615.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_7211615
loop_
_publ_author_name
'Wang, Dengxu'
'He, Haiyan'
'Chen, Xiaohui'
'Feng, Shengyu'
'Niu, Yuzhong'
'Sun, Daofeng'
_publ_section_title
;
 A 3D porous metal--organic framework constructed of 1D zigzag and helical
 chains exhibiting selective anion exchange
;
_journal_issue                   4
_journal_name_full               CrystEngComm
_journal_page_first              1041
_journal_paper_doi               10.1039/b910988a
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C50 H60 Ag2.5 Cl2.5 N10 O15 Si2.5'
_chemical_formula_weight         1469.60
_chemical_name_systematic
;
?
;
_space_group_IT_number           52
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.328(5)
_cell_length_b                   31.067(6)
_cell_length_c                   16.658(4)
_cell_measurement_reflns_used    3503
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      15.71
_cell_measurement_theta_min      2.17
_cell_volume                     12590(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0930
_diffrn_reflns_av_sigmaI/netI    0.0785
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            40172
_diffrn_reflns_theta_full        20.86
_diffrn_reflns_theta_max         20.86
_diffrn_reflns_theta_min         1.31
_exptl_absorpt_coefficient_mu    0.995
_exptl_absorpt_correction_T_max  0.9070
_exptl_absorpt_correction_T_min  0.8257
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.551
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5960
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_platon_squeeze_details
;
;
_refine_diff_density_max         0.767
_refine_diff_density_min         -0.416
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     704
_refine_ls_number_reflns         6620
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.1376
_refine_ls_R_factor_gt           0.0768
_refine_ls_shift/su_max          0.067
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1371P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2095
_refine_ls_wR_factor_ref         0.2443
_reflns_number_gt                3291
_reflns_number_total             6620
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b910988a.txt
_cod_data_source_block           ag
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' 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_cell_volume        12590(4)
_cod_original_sg_symbol_H-M      Pnna
_cod_original_formula_sum        'C50 H60 Ag2.50 Cl2.50 N10 O15 Si2.50'
_cod_database_code               7211615
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z'
'-x+1/2, y+1/2, -z+1/2'
'x, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z'
'x-1/2, -y-1/2, z-1/2'
'-x, y-1/2, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
O1 O 0.1802(7) 0.3192(4) 0.4567(15) 0.284(11) Uani 1 1 d .
O01 O 0.1315(15) 0.3658(12) 0.245(2) 0.130(12) Uiso 0.25 1 d P
O2 O 0.1564(14) 0.2766(10) 0.5519(18) 0.35(2) Uani 1 1 d .
O3 O 0.2336(7) 0.2655(5) 0.5087(14) 0.274(11) Uani 1 1 d .
O4 O 0.1559(7) 0.2493(4) 0.4367(10) 0.227(7) Uani 1 1 d .
O5 O 0.0603(15) 0.5146(11) 0.7016(14) 0.43(2) Uani 1 1 d .
O6 O -0.0017(6) 0.5656(5) 0.7097(12) 0.242(8) Uani 1 1 d .
O7 O -0.0110(13) 0.4990(10) 0.7690(19) 0.41(2) Uani 1 1 d .
O8 O 0.0451(9) 0.5438(6) 0.8199(11) 0.287(11) Uani 1 1 d .
O9 O 0.2172(11) 0.4758(6) 0.7314(16) 0.326(13) Uani 1 1 d .
O10 O 0.2191(10) 0.5274(6) 0.8243(14) 0.331(13) Uani 1 1 d .
Ag1 Ag 0.17233(4) 0.38233(3) 0.61738(7) 0.1121(5) Uani 1 1 d .
Ag2 Ag -0.25524(5) 0.56943(5) 0.00443(10) 0.1510(7) Uani 1 1 d .
Ag3 Ag 0.2500 0.5000 0.54854(12) 0.1218(7) Uani 1 2 d S
Si1 Si 0.02034(17) 0.65969(12) 0.4128(3) 0.1063(13) Uani 1 1 d .
Si2 Si -0.5595(3) 0.36118(18) 0.0725(4) 0.163(2) Uani 1 1 d .
Si3 Si 0.0286(2) 0.7500 0.7500 0.120(2) Uani 1 2 d S
N1 N 0.1324(4) 0.4215(4) 0.5356(8) 0.101(3) Uani 1 1 d .
N2 N 0.1008(4) 0.4783(4) 0.4738(8) 0.094(3) Uani 1 1 d .
N3 N -0.1315(5) 0.6364(4) 0.1288(8) 0.091(3) Uani 1 1 d .
N4 N -0.1926(5) 0.6105(5) 0.0450(10) 0.115(4) Uani 1 1 d .
N5 N -0.3154(7) 0.5294(5) -0.0416(15) 0.171(8) Uani 1 1 d .
N6 N -0.3821(7) 0.4834(5) -0.0401(12) 0.130(4) Uani 1 1 d .
N7 N -0.7255(4) 0.3394(4) -0.1923(7) 0.078(3) Uani 1 1 d .
N8 N -0.7792(4) 0.3519(4) -0.2935(7) 0.087(3) Uani 1 1 d .
N9 N 0.2139(6) 0.5609(4) 0.5431(11) 0.109(4) Uani 1 1 d .
N10 N 0.1716(5) 0.6220(4) 0.5733(8) 0.092(3) Uani 1 1 d .
C1 C 0.1166(5) 0.4617(5) 0.5427(9) 0.095(4) Uani 1 1 d .
H1 H 0.1165 0.4768 0.5909 0.114 Uiso 1 1 calc R
C2 C 0.1278(5) 0.4123(5) 0.4531(14) 0.117(5) Uani 1 1 d .
H2 H 0.1363 0.3861 0.4289 0.141 Uiso 1 1 calc R
C3 C 0.1091(6) 0.4477(6) 0.4151(10) 0.116(5) Uani 1 1 d .
H3 H 0.1030 0.4509 0.3603 0.139 Uiso 1 1 calc R
C4 C 0.0814(6) 0.5216(5) 0.4656(10) 0.082(4) Uani 1 1 d .
C5 C 0.0457(6) 0.5399(5) 0.5169(8) 0.089(4) Uani 1 1 d .
H5 H 0.0322 0.5245 0.5605 0.107 Uiso 1 1 calc R
C6 C 0.0298(5) 0.5812(5) 0.5039(9) 0.094(4) Uani 1 1 d .
H6 H 0.0067 0.5942 0.5412 0.113 Uiso 1 1 calc R
C7 C 0.0463(6) 0.6046(4) 0.4381(9) 0.087(4) Uani 1 1 d .
C8 C 0.0838(6) 0.5853(5) 0.3869(9) 0.114(5) Uani 1 1 d .
H8 H 0.0973 0.6004 0.3431 0.136 Uiso 1 1 calc R
C9 C 0.1015(6) 0.5428(5) 0.4009(10) 0.122(5) Uani 1 1 d .
H9 H 0.1264 0.5295 0.3665 0.146 Uiso 1 1 calc R
C10 C 0.0759(6) 0.6950(4) 0.3804(10) 0.146(6) Uani 1 1 d .
H10A H 0.0947 0.6822 0.3358 0.219 Uiso 1 1 calc R
H10B H 0.1012 0.6992 0.4239 0.219 Uiso 1 1 calc R
H10C H 0.0609 0.7223 0.3644 0.219 Uiso 1 1 calc R
C11 C -0.0146(7) 0.6849(5) 0.4965(8) 0.136(6) Uani 1 1 d .
H11A H 0.0107 0.6885 0.5402 0.203 Uiso 1 1 calc R
H11B H -0.0447 0.6671 0.5133 0.203 Uiso 1 1 calc R
H11C H -0.0284 0.7125 0.4802 0.203 Uiso 1 1 calc R
C12 C -0.0281(5) 0.6528(5) 0.3285(8) 0.087(4) Uani 1 1 d .
C13 C -0.0523(5) 0.6856(4) 0.2891(10) 0.098(4) Uani 1 1 d .
H13 H -0.0451 0.7132 0.3079 0.117 Uiso 1 1 calc R
C14 C -0.0853(6) 0.6822(4) 0.2259(9) 0.090(4) Uani 1 1 d .
H14 H -0.0999 0.7065 0.2011 0.108 Uiso 1 1 calc R
C15 C -0.0971(5) 0.6412(5) 0.1984(8) 0.084(4) Uani 1 1 d .
C16 C -0.0740(5) 0.6068(4) 0.2352(10) 0.090(4) Uani 1 1 d .
H16 H -0.0814 0.5792 0.2165 0.108 Uiso 1 1 calc R
C17 C -0.0395(6) 0.6124(4) 0.3002(9) 0.096(4) Uani 1 1 d .
H17 H -0.0238 0.5885 0.3250 0.115 Uiso 1 1 calc R
C18 C -0.1655(7) 0.6041(5) 0.1094(11) 0.097(4) Uani 1 1 d .
H18 H -0.1689 0.5792 0.1401 0.116 Uiso 1 1 calc R
C19 C -0.1400(6) 0.6658(5) 0.0680(13) 0.113(5) Uani 1 1 d .
H19 H -0.1233 0.6926 0.0639 0.136 Uiso 1 1 calc R
C20 C -0.1766(7) 0.6494(6) 0.0153(12) 0.124(6) Uani 1 1 d .
H20 H -0.1885 0.6621 -0.0321 0.149 Uiso 1 1 calc R
C21 C -0.3483(9) 0.5093(6) 0.0007(11) 0.132(6) Uani 1 1 d .
H21 H -0.3495 0.5120 0.0563 0.158 Uiso 1 1 calc R
C22 C -0.3275(12) 0.5136(10) -0.1170(13) 0.213(12) Uani 1 1 d .
H22 H -0.3092 0.5218 -0.1635 0.255 Uiso 1 1 calc R
C23 C -0.3681(10) 0.4855(8) -0.1158(18) 0.205(11) Uani 1 1 d .
H23 H -0.3832 0.4705 -0.1588 0.246 Uiso 1 1 calc R
C24 C -0.4261(10) 0.4571(6) -0.0112(15) 0.127(7) Uani 1 1 d .
C25 C -0.4318(8) 0.4187(9) -0.0513(12) 0.151(7) Uani 1 1 d .
H25 H -0.4095 0.4116 -0.0946 0.182 Uiso 1 1 calc R
C26 C -0.4732(10) 0.3905(6) -0.0236(15) 0.136(6) Uani 1 1 d .
H26 H -0.4783 0.3647 -0.0507 0.163 Uiso 1 1 calc R
C27 C -0.5065(7) 0.3993(7) 0.0416(13) 0.122(6) Uani 1 1 d .
C28 C -0.4986(7) 0.4387(6) 0.0745(11) 0.125(6) Uani 1 1 d .
H28 H -0.5215 0.4468 0.1166 0.150 Uiso 1 1 calc R
C29 C -0.4600(9) 0.4667(6) 0.0504(12) 0.124(6) Uani 1 1 d .
H29 H -0.4565 0.4930 0.0764 0.149 Uiso 1 1 calc R
C30 C -0.5891(11) 0.3772(9) 0.1638(12) 0.299(19) Uani 1 1 d .
H30A H -0.6169 0.3568 0.1792 0.449 Uiso 1 1 calc R
H30B H -0.6055 0.4051 0.1577 0.449 Uiso 1 1 calc R
H30C H -0.5613 0.3784 0.2046 0.449 Uiso 1 1 calc R
C31 C -0.5252(9) 0.3055(6) 0.0824(15) 0.238(13) Uani 1 1 d .
H31A H -0.5089 0.2976 0.0321 0.357 Uiso 1 1 calc R
H31B H -0.5523 0.2845 0.0971 0.357 Uiso 1 1 calc R
H31C H -0.4972 0.3066 0.1231 0.357 Uiso 1 1 calc R
C32 C -0.6124(6) 0.3582(5) -0.0085(10) 0.112(4) Uani 1 1 d .
C33 C -0.6133(7) 0.3827(4) -0.0791(11) 0.116(5) Uani 1 1 d .
H33 H -0.5865 0.4038 -0.0861 0.139 Uiso 1 1 calc R
C34 C -0.6507(6) 0.3773(4) -0.1368(9) 0.095(4) Uani 1 1 d .
H34 H -0.6510 0.3953 -0.1814 0.114 Uiso 1 1 calc R
C35 C -0.6881(5) 0.3457(4) -0.1298(8) 0.081(3) Uani 1 1 d .
C36 C -0.6904(5) 0.3198(4) -0.0618(9) 0.089(4) Uani 1 1 d .
H36 H -0.7173 0.2988 -0.0561 0.106 Uiso 1 1 calc R
C37 C -0.6529(6) 0.3262(5) -0.0053(9) 0.118(5) Uani 1 1 d .
H37 H -0.6535 0.3083 0.0394 0.142 Uiso 1 1 calc R
C38 C -0.7451(5) 0.3683(5) -0.2436(9) 0.083(4) Uani 1 1 d .
H38 H -0.7351 0.3972 -0.2433 0.099 Uiso 1 1 calc R
C39 C -0.7809(6) 0.3083(5) -0.2765(10) 0.107(4) Uani 1 1 d .
H39 H -0.8012 0.2874 -0.3034 0.129 Uiso 1 1 calc R
C40 C -0.7465(6) 0.3018(5) -0.2120(9) 0.100(4) Uani 1 1 d .
H40 H -0.7394 0.2756 -0.1870 0.120 Uiso 1 1 calc R
C41 C 0.1798(6) 0.5817(7) 0.5917(10) 0.105(5) Uani 1 1 d .
H41 H 0.1630 0.5686 0.6355 0.126 Uiso 1 1 calc R
C42 C 0.2270(6) 0.5896(8) 0.4893(13) 0.132(6) Uani 1 1 d .
H42 H 0.2495 0.5843 0.4453 0.159 Uiso 1 1 calc R
C43 C 0.2026(7) 0.6294(5) 0.5066(12) 0.106(4) Uani 1 1 d .
H43 H 0.2067 0.6552 0.4787 0.127 Uiso 1 1 calc R
C44 C 0.1385(6) 0.6521(5) 0.6160(9) 0.089(4) Uani 1 1 d .
C45 C 0.1518(6) 0.6946(6) 0.6107(9) 0.106(5) Uani 1 1 d .
H45 H 0.1821 0.7036 0.5811 0.127 Uiso 1 1 calc R
C46 C 0.1215(6) 0.7221(5) 0.6475(10) 0.109(5) Uani 1 1 d .
H46 H 0.1301 0.7511 0.6422 0.131 Uiso 1 1 calc R
C47 C 0.0764(7) 0.7112(5) 0.6950(9) 0.108(5) Uani 1 1 d .
C48 C 0.0646(5) 0.6659(6) 0.7009(8) 0.104(4) Uani 1 1 d .
H48 H 0.0356 0.6561 0.7324 0.125 Uiso 1 1 calc R
C49 C 0.0967(7) 0.6375(4) 0.6594(9) 0.098(4) Uani 1 1 d .
H49 H 0.0893 0.6081 0.6616 0.118 Uiso 1 1 calc R
C50 C -0.0142(7) 0.7224(5) 0.8310(12) 0.176(8) Uani 1 1 d .
H50A H -0.0393 0.7025 0.8063 0.265 Uiso 1 1 calc R
H50B H -0.0346 0.7436 0.8604 0.265 Uiso 1 1 calc R
H50C H 0.0096 0.7071 0.8670 0.265 Uiso 1 1 calc R
Cl1 Cl 0.1824(3) 0.2771(2) 0.4860(5) 0.180(3) Uani 1 1 d .
Cl2 Cl 0.0233(3) 0.53124(19) 0.7505(3) 0.1543(18) Uani 1 1 d .
Cl3 Cl 0.2500 0.5000 0.7785(5) 0.155(3) Uani 1 2 d S
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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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 N8 170.2(5) . 1_656
N5 Ag2 N4 177.0(8) . .
N9 Ag3 N9 175.0(10) . 2_565
C11 Si1 C10 108.4(8) . .
C11 Si1 C12 109.6(7) . .
C10 Si1 C12 108.5(7) . .
C11 Si1 C7 112.4(7) . .
C10 Si1 C7 111.6(7) . .
C12 Si1 C7 106.3(6) . .
C30 Si2 C27 110.6(11) . .
C30 Si2 C32 111.0(10) . .
C27 Si2 C32 108.4(7) . .
C30 Si2 C31 111.0(12) . .
C27 Si2 C31 107.4(10) . .
C32 Si2 C31 108.4(8) . .
C47 Si3 C47 105.0(10) 4_566 .
C47 Si3 C50 112.8(8) 4_566 4_566
C47 Si3 C50 106.1(7) . 4_566
C47 Si3 C50 106.1(7) 4_566 .
C47 Si3 C50 112.8(8) . .
C50 Si3 C50 113.8(13) 4_566 .
C1 N1 C2 105.0(12) . .
C1 N1 Ag1 129.6(12) . .
C2 N1 Ag1 124.1(11) . .
C1 N2 C3 107.9(12) . .
C1 N2 C4 123.1(14) . .
C3 N2 C4 128.9(14) . .
C18 N3 C19 103.1(13) . .
C18 N3 C15 129.1(15) . .
C19 N3 C15 127.6(15) . .
C18 N4 C20 107.1(14) . .
C18 N4 Ag2 123.5(16) . .
C20 N4 Ag2 129.1(15) . .
C21 N5 C22 101.5(19) . .
C21 N5 Ag2 123.5(19) . .
C22 N5 Ag2 135(2) . .
C23 N6 C21 107.5(18) . .
C23 N6 C24 123(2) . .
C21 N6 C24 129(2) . .
C40 N7 C38 107.5(12) . .
C40 N7 C35 124.3(12) . .
C38 N7 C35 128.2(12) . .
C38 N8 C39 106.0(12) . .
C38 N8 Ag1 129.7(11) . 1_454
C39 N8 Ag1 124.3(12) . 1_454
C42 N9 C41 103.8(14) . .
C42 N9 Ag3 123.1(16) . .
C41 N9 Ag3 132.7(16) . .
C41 N10 C43 105.7(13) . .
C41 N10 C44 126.7(17) . .
C43 N10 C44 127.6(15) . .
N1 C1 N2 112.2(13) . .
C3 C2 N1 108.5(14) . .
C2 C3 N2 106.2(15) . .
C5 C4 C9 122.3(14) . .
C5 C4 N2 123.4(15) . .
C9 C4 N2 114.4(15) . .
C4 C5 C6 118.9(13) . .
C5 C6 C7 122.9(13) . .
C6 C7 C8 116.9(12) . .
C6 C7 Si1 124.4(12) . .
C8 C7 Si1 118.7(12) . .
C7 C8 C9 120.5(14) . .
C4 C9 C8 118.4(14) . .
C13 C12 C17 115.9(12) . .
C13 C12 Si1 124.2(12) . .
C17 C12 Si1 119.8(11) . .
C14 C13 C12 126.3(12) . .
C13 C14 C15 117.4(12) . .
C16 C15 C14 119.4(12) . .
C16 C15 N3 121.6(15) . .
C14 C15 N3 118.9(15) . .
C15 C16 C17 120.6(12) . .
C12 C17 C16 120.5(12) . .
N4 C18 N3 113.9(14) . .
C20 C19 N3 109.0(15) . .
C19 C20 N4 106.8(16) . .
N5 C21 N6 114.3(19) . .
N5 C21 C22 41.8(14) . .
N6 C21 C22 72.5(12) . .
C23 C22 N5 112(2) . .
C23 C22 C21 75.8(16) . .
N5 C22 C21 36.6(9) . .
N6 C23 C22 104(2) . .
C29 C24 C25 120(2) . .
C29 C24 N6 126.0(19) . .
C25 C24 N6 114(2) . .
C24 C25 C26 117(2) . .
C27 C26 C25 123.6(18) . .
C28 C27 C26 114.4(16) . .
C28 C27 Si2 125(2) . .
C26 C27 Si2 121(2) . .
C29 C28 C27 124.3(19) . .
C28 C29 C24 120.8(19) . .
C37 C32 C33 114.1(13) . .
C37 C32 Si2 119.5(12) . .
C33 C32 Si2 126.1(12) . .
C34 C33 C32 123.1(13) . .
C33 C34 C35 119.5(13) . .
C34 C35 C36 121.4(12) . .
C34 C35 N7 118.7(14) . .
C36 C35 N7 120.0(13) . .
C37 C36 C35 117.6(12) . .
C36 C37 C32 124.2(13) . .
N8 C38 N7 112.4(12) . .
C40 C39 N8 106.5(12) . .
N7 C40 C39 107.5(12) . .
N10 C41 N9 114.8(16) . .
N9 C42 C43 111.0(17) . .
N10 C43 C42 104.6(15) . .
C49 C44 C45 123.1(13) . .
C49 C44 N10 118.8(15) . .
C45 C44 N10 118.0(16) . .
C46 C45 C44 118.5(14) . .
C45 C46 C47 124.2(14) . .
C46 C47 C48 115.7(12) . .
C46 C47 Si3 126.8(14) . .
C48 C47 Si3 117.6(14) . .
C49 C48 C47 118.9(13) . .
C44 C49 C48 119.5(13) . .
O2 Cl1 O3 102.5(18) . .
O2 Cl1 O4 106.2(18) . .
O3 Cl1 O4 115.9(11) . .
O2 Cl1 O1 107.1(17) . .
O3 Cl1 O1 112.6(11) . .
O4 Cl1 O1 111.6(12) . .
O5 Cl2 O8 112(2) . .
O5 Cl2 O7 106(2) . .
O8 Cl2 O7 105.5(16) . .
O5 Cl2 O6 107.1(14) . .
O8 Cl2 O6 111.8(12) . .
O7 Cl2 O6 114.3(17) . .
O9 Cl3 O9 109(2) 2_565 .
O9 Cl3 O10 107.6(13) 2_565 .
O9 Cl3 O10 110.3(18) . .
O9 Cl3 O10 110.3(18) 2_565 2_565
O9 Cl3 O10 107.6(13) . 2_565
O10 Cl3 O10 112(2) . 2_565
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O1 Cl1 1.396(15) .
O2 Cl1 1.27(3) .
O3 Cl1 1.350(16) .
O4 Cl1 1.356(13) .
O5 Cl2 1.32(2) .
O6 Cl2 1.402(14) .
O7 Cl2 1.34(2) .
O8 Cl2 1.330(15) .
O9 Cl3 1.35(2) .
O10 Cl3 1.368(15) .
Ag1 N1 2.069(12) .
Ag1 N8 2.118(10) 1_656
Ag2 N5 2.067(18) .
Ag2 N4 2.098(13) .
Ag3 N9 2.088(13) .
Ag3 N9 2.088(13) 2_565
Si1 C11 1.811(14) .
Si1 C10 1.823(15) .
Si1 C12 1.845(13) .
Si1 C7 1.871(13) .
Si2 C30 1.76(3) .
Si2 C27 1.825(17) .
Si2 C32 1.868(15) .
Si2 C31 1.93(2) .
Si3 C47 1.909(15) 4_566
Si3 C47 1.909(15) .
Si3 C50 1.909(17) 4_566
Si3 C50 1.909(17) .
N1 C1 1.314(14) .
N1 C2 1.408(18) .
N2 C1 1.314(15) .
N2 C3 1.378(16) .
N2 C4 1.434(16) .
N3 C18 1.340(16) .
N3 C19 1.379(18) .
N3 C15 1.438(15) .
N4 C18 1.275(16) .
N4 C20 1.363(17) .
N5 C21 1.24(2) .
N5 C22 1.38(2) .
N6 C23 1.31(2) .
N6 C21 1.336(19) .
N6 C24 1.43(2) .
N7 C40 1.316(15) .
N7 C38 1.328(14) .
N7 C35 1.397(14) .
N8 C38 1.281(13) .
N8 C39 1.386(14) .
N8 Ag1 2.118(10) 1_454
N9 C42 1.30(2) .
N9 C41 1.328(17) .
N10 C41 1.304(18) .
N10 C43 1.362(17) .
N10 C44 1.423(16) .
C2 C3 1.348(17) .
C4 C5 1.344(16) .
C4 C9 1.354(17) .
C5 C6 1.356(16) .
C6 C7 1.377(16) .
C7 C8 1.386(17) .
C8 C9 1.408(17) .
C12 C13 1.347(15) .
C12 C17 1.370(15) .
C13 C14 1.329(16) .
C14 C15 1.383(16) .
C15 C16 1.355(16) .
C16 C17 1.381(17) .
C19 C20 1.349(19) .
C21 C22 2.03(3) .
C22 C23 1.32(3) .
C24 C29 1.35(2) .
C24 C25 1.37(2) .
C25 C26 1.41(2) .
C26 C27 1.38(2) .
C27 C28 1.35(2) .
C28 C29 1.34(2) .
C32 C37 1.399(17) .
C32 C33 1.402(18) .
C33 C34 1.334(17) .
C34 C35 1.343(16) .
C35 C36 1.391(16) .
C36 C37 1.326(16) .
C39 C40 1.376(17) .
C42 C43 1.403(19) .
C44 C49 1.329(17) .
C44 C45 1.363(17) .
C45 C46 1.283(17) .
C46 C47 1.392(18) .
C47 C48 1.440(18) .
C48 C49 1.365(16) .
Cl3 O9 1.35(2) 2_565
Cl3 O10 1.368(15) 2_565
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
1 0.250 0.212 0.250 858.4 53.9
2 0.637 0.484 0.191 12.9 0.1
3 0.863 0.515 0.191 12.9 0.2
4 0.637 0.015 0.309 12.9 0.3
5 0.863 0.984 0.309 12.9 0.1
6 0.750 0.151 0.750 858.5 53.9
7 0.137 0.015 0.691 12.9 0.3
8 0.363 -0.015 0.691 12.9 0.0
9 0.137 0.484 0.809 12.9 0.1
10 0.363 0.515 0.809 12.8 0.4
