#------------------------------------------------------------------------------
#$Date: 2019-11-08 00:49:31 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224340 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/04/7700470.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_7700470
loop_
_publ_author_name
'Do, Thomas H.'
'Brown, Seth N.'
_publ_section_title
;
 Mono- and bimetallic pentacoordinate silicon complexes of a chelating
 bis(catecholimine) ligand.
;
_journal_issue                   30
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11565
_journal_page_last               11574
_journal_paper_doi               10.1039/c9dt02475a
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C51 H57 Ag N2 O5 Si, 3(C D2 Cl2)'
_chemical_formula_sum            'C54 H57 Ag Cl6 D6 N2 O5 Si'
_chemical_formula_weight         1174.76
_chemical_name_common            'Ag[(Xbic)SiPh] . 3 CD2Cl2'
_chemical_name_systematic
'Silver((9,9-dimethylxanthene-4,5-bis(4,6-di-tert-butyl-2,3-dioxybenzaldimine)(phenyl)silicate) tris(deuteriodichloromethane) solvate'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2016/4
_audit_update_record
;
2019-06-11 deposited with the CCDC.    2019-07-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.0777(16)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.9942(18)
_cell_length_b                   19.485(2)
_cell_length_c                   17.562(2)
_cell_measurement_reflns_used    9694
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      29.047
_cell_measurement_theta_min      2.391
_cell_volume                     5469.5(10)
_computing_cell_refinement       'Bruker SAINT (Bruker, 2015)'
_computing_data_collection       'Bruker APEX-3 (Bruker, 2015)'
_computing_data_reduction        'Bruker SAINT (Bruker, 2015)'
_computing_molecular_graphics    'Bruker XP (Bruker, 2015)'
_computing_publication_material  'CIFTAB (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT-2014/2 (Sheldrick, 2015)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       'combination of ω and φ-scans '
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0275
_diffrn_reflns_av_unetI/netI     0.0133
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            154871
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.145
_diffrn_reflns_theta_min         1.274
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.731
_exptl_absorpt_correction_T_max  0.7279
_exptl_absorpt_correction_T_min  0.6804
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
Blessing, R.H. (1995)Acta Cryst. A51, 33-38.

Shledrick, G.M. (2008) SADABS v2008/1. Bruker AXS Inc.
Madison, WI USA.
;
_exptl_crystal_colour            'pale green'
_exptl_crystal_density_diffrn    1.427
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2416
_exptl_crystal_recrystallization_method
'Crystals deposited from the reaction mixture of [(XbicH2)SiPh][HCl2]with excess Ag2O in CD2Cl2.'
_exptl_crystal_size_max          0.312
_exptl_crystal_size_mid          0.258
_exptl_crystal_size_min          0.208
_exptl_transmission_factor_max   0.7279
_exptl_transmission_factor_min   0.6804
_refine_diff_density_max         2.037
_refine_diff_density_min         -2.350
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     691
_refine_ls_number_reflns         14700
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.116
_refine_ls_R_factor_all          0.0674
_refine_ls_R_factor_gt           0.0603
_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)+(0.0844P)²+20.8558P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1702
_refine_ls_wR_factor_ref         0.1773
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13067
_reflns_number_total             14700
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt02475a2.cif
_cod_data_source_block           siag
_cod_depositor_comments
'Adding full bibliography for 7700466--7700470.cif.'
_cod_original_cell_volume        5469.6(11)
_cod_database_code               7700470
_shelx_shelxl_version_number     2016/4
_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   0.804
_shelx_estimated_absorpt_t_max   0.863
_diffrn_source_monochromator     'Bruker TRIUMPH curved-graphite'
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'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_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
Si Si 0.32747(5) 0.14141(4) 0.41765(5) 0.01469(16) Uani 1 1 d . . . . .
Ag Ag 0.15859(2) 0.03637(2) 0.43024(2) 0.01652(8) Uani 1 1 d . . . . .
O1 O 0.33236(14) 0.23024(11) 0.42613(13) 0.0179(4) Uani 1 1 d . . . . .
O2 O 0.21862(14) 0.14913(11) 0.42344(14) 0.0181(4) Uani 1 1 d . . . . .
O3 O 0.40026(14) 0.14492(12) 0.34813(13) 0.0182(4) Uani 1 1 d . . . . .
O4 O 0.29890(14) 0.05885(12) 0.38097(13) 0.0180(4) Uani 1 1 d . . . . .
O5 O 0.02865(14) -0.00464(11) 0.34867(12) 0.0156(4) Uani 1 1 d . . . . .
N1 N 0.04506(16) 0.11536(13) 0.42788(14) 0.0151(5) Uani 1 1 d . . . . .
N2 N 0.18767(17) -0.04600(13) 0.33356(15) 0.0158(5) Uani 1 1 d . . . . .
C11 C 0.25676(19) 0.26099(16) 0.43015(17) 0.0155(5) Uani 1 1 d . . . . .
C12 C 0.19035(19) 0.21391(15) 0.42946(17) 0.0155(5) Uani 1 1 d . . . . .
C13 C 0.10584(19) 0.23257(15) 0.42988(17) 0.0154(5) Uani 1 1 d . . . . .
C14 C 0.0886(2) 0.30539(15) 0.43281(17) 0.0161(5) Uani 1 1 d . . . . .
C15 C 0.1563(2) 0.34986(16) 0.43428(17) 0.0166(6) Uani 1 1 d . . . . .
H15 H 0.146(3) 0.394(3) 0.435(3) 0.025(11) Uiso 1 1 d . . . . .
C16 C 0.2411(2) 0.33068(15) 0.43192(16) 0.0159(5) Uani 1 1 d . . . . .
C17 C 0.3118(2) 0.38310(16) 0.42777(18) 0.0182(6) Uani 1 1 d . . . . .
C171 C 0.3567(2) 0.37237(19) 0.35264(19) 0.0245(7) Uani 1 1 d . . . . .
H17A H 0.4023 0.4057 0.3493 0.037 Uiso 1 1 calc R U . . .
H17B H 0.3168 0.3788 0.3095 0.037 Uiso 1 1 calc R U . . .
H17C H 0.3797 0.3258 0.3513 0.037 Uiso 1 1 calc R U . . .
C172 C 0.2791(2) 0.45705(17) 0.4290(2) 0.0260(7) Uani 1 1 d . . . . .
H17D H 0.3262 0.4890 0.4263 0.039 Uiso 1 1 calc R U . . .
H17E H 0.2499 0.4650 0.4763 0.039 Uiso 1 1 calc R U . . .
H17F H 0.2404 0.4645 0.3853 0.039 Uiso 1 1 calc R U . . .
C173 C 0.3732(2) 0.37312(18) 0.4963(2) 0.0231(6) Uani 1 1 d . . . . .
H17G H 0.4186 0.4067 0.4937 0.035 Uiso 1 1 calc R U . . .
H17H H 0.3966 0.3266 0.4951 0.035 Uiso 1 1 calc R U . . .
H17I H 0.3437 0.3796 0.5436 0.035 Uiso 1 1 calc R U . . .
C18 C -0.0007(2) 0.33627(16) 0.43193(18) 0.0182(6) Uani 1 1 d . . . . .
C181 C 0.0006(2) 0.41511(18) 0.4391(2) 0.0277(7) Uani 1 1 d . . . . .
H18A H 0.0311 0.4348 0.3969 0.042 Uiso 1 1 calc R U . . .
H18B H 0.0283 0.4281 0.4876 0.042 Uiso 1 1 calc R U . . .
H18C H -0.0570 0.4325 0.4373 0.042 Uiso 1 1 calc R U . . .
C182 C -0.0470(2) 0.32065(19) 0.3554(2) 0.0251(7) Uani 1 1 d . . . . .
H18D H -0.0137 0.3372 0.3135 0.038 Uiso 1 1 calc R U . . .
H18E H -0.1014 0.3438 0.3538 0.038 Uiso 1 1 calc R U . . .
H18F H -0.0554 0.2710 0.3504 0.038 Uiso 1 1 calc R U . . .
C183 C -0.0497(2) 0.31156(19) 0.5005(2) 0.0241(7) Uani 1 1 d . . . . .
H18G H -0.0532 0.2614 0.4999 0.036 Uiso 1 1 calc R U . . .
H18H H -0.1063 0.3310 0.4976 0.036 Uiso 1 1 calc R U . . .
H18I H -0.0210 0.3266 0.5478 0.036 Uiso 1 1 calc R U . . .
C19 C 0.03885(19) 0.18175(16) 0.42565(17) 0.0158(5) Uani 1 1 d . . . . .
H19 H -0.012(3) 0.199(2) 0.413(2) 0.016(10) Uiso 1 1 d . . . . .
C21 C 0.39877(19) 0.09044(15) 0.29952(17) 0.0156(5) Uani 1 1 d . . . . .
C22 C 0.33743(19) 0.04225(15) 0.31714(17) 0.0152(5) Uani 1 1 d . . . . .
C23 C 0.31754(18) -0.01421(15) 0.27126(17) 0.0148(5) Uani 1 1 d . . . . .
C24 C 0.36711(19) -0.02399(16) 0.20478(17) 0.0152(5) Uani 1 1 d . . . . .
C25 C 0.4298(2) 0.02364(17) 0.19191(18) 0.0170(5) Uani 1 1 d . . . . .
H25 H 0.461(3) 0.020(2) 0.150(3) 0.028(12) Uiso 1 1 d . . . . .
C26 C 0.44788(19) 0.08178(16) 0.23713(17) 0.0169(5) Uani 1 1 d . . . . .
C27 C 0.5161(2) 0.13361(17) 0.21841(19) 0.0206(6) Uani 1 1 d . . . . .
C271 C 0.4753(3) 0.20262(19) 0.1992(2) 0.0295(8) Uani 1 1 d . . . . .
H27A H 0.5186 0.2361 0.1871 0.044 Uiso 1 1 calc R U . . .
H27B H 0.4445 0.2189 0.2430 0.044 Uiso 1 1 calc R U . . .
H27C H 0.4365 0.1972 0.1551 0.044 Uiso 1 1 calc R U . . .
C272 C 0.5773(2) 0.1422(2) 0.2871(2) 0.0288(7) Uani 1 1 d . . . . .
H27D H 0.6035 0.0979 0.2994 0.043 Uiso 1 1 calc R U . . .
H27E H 0.5469 0.1586 0.3310 0.043 Uiso 1 1 calc R U . . .
H27F H 0.6206 0.1756 0.2747 0.043 Uiso 1 1 calc R U . . .
C273 C 0.5667(3) 0.1110(2) 0.1500(2) 0.0323(8) Uani 1 1 d . . . . .
H27G H 0.5934 0.0667 0.1613 0.048 Uiso 1 1 calc R U . . .
H27H H 0.6097 0.1454 0.1403 0.048 Uiso 1 1 calc R U . . .
H27I H 0.5292 0.1064 0.1049 0.048 Uiso 1 1 calc R U . . .
C28 C 0.3516(2) -0.08296(17) 0.14779(18) 0.0184(6) Uani 1 1 d . . . . .
C281 C 0.4102(2) -0.0788(2) 0.0803(2) 0.0263(7) Uani 1 1 d . . . . .
H28A H 0.3984 -0.1171 0.0453 0.040 Uiso 1 1 calc R U . . .
H28B H 0.4685 -0.0813 0.0993 0.040 Uiso 1 1 calc R U . . .
H28C H 0.4009 -0.0353 0.0533 0.040 Uiso 1 1 calc R U . . .
C282 C 0.2619(2) -0.0794(2) 0.1117(2) 0.0257(7) Uani 1 1 d . . . . .
H28D H 0.2535 -0.1174 0.0756 0.038 Uiso 1 1 calc R U . . .
H28E H 0.2543 -0.0357 0.0847 0.038 Uiso 1 1 calc R U . . .
H28F H 0.2211 -0.0829 0.1518 0.038 Uiso 1 1 calc R U . . .
C283 C 0.3699(3) -0.15312(18) 0.1858(2) 0.0285(7) Uani 1 1 d . . . . .
H28G H 0.3596 -0.1899 0.1485 0.043 Uiso 1 1 calc R U . . .
H28H H 0.3333 -0.1594 0.2288 0.043 Uiso 1 1 calc R U . . .
H28I H 0.4285 -0.1546 0.2041 0.043 Uiso 1 1 calc R U . . .
C29 C 0.2467(2) -0.05824(16) 0.28678(17) 0.0159(5) Uani 1 1 d . . . . .
H29 H 0.242(3) -0.097(2) 0.259(3) 0.026(11) Uiso 1 1 d . . . . .
C31 C -0.03219(19) 0.07869(15) 0.42844(17) 0.0152(5) Uani 1 1 d . . . . .
C32 C -0.10007(19) 0.10044(16) 0.46998(17) 0.0172(6) Uani 1 1 d . . . . .
H32 H -0.098(3) 0.142(2) 0.501(2) 0.018(10) Uiso 1 1 d . . . . .
C33 C -0.1734(2) 0.06187(17) 0.47032(18) 0.0187(6) Uani 1 1 d . . . . .
H33 H -0.221(3) 0.080(2) 0.494(3) 0.025(11) Uiso 1 1 d . . . . .
C34 C -0.17919(19) -0.00056(17) 0.43086(17) 0.0178(6) Uani 1 1 d . . . . .
H34 H -0.227(3) -0.023(2) 0.429(2) 0.009(8) Uiso 1 1 d . . . . .
C35 C -0.1109(2) -0.02489(16) 0.39060(17) 0.0167(5) Uani 1 1 d . . . . .
C36 C -0.03930(19) 0.01566(16) 0.38984(16) 0.0150(5) Uani 1 1 d . . . . .
C41 C 0.12432(19) -0.09677(16) 0.33645(16) 0.0155(5) Uani 1 1 d . . . . .
C42 C 0.0413(2) -0.07525(15) 0.34376(16) 0.0154(5) Uani 1 1 d . . . . .
C43 C -0.0254(2) -0.12026(16) 0.34564(17) 0.0178(6) Uani 1 1 d . . . . .
C44 C -0.0078(2) -0.19042(17) 0.34490(19) 0.0217(6) Uani 1 1 d . . . . .
H44 H -0.058(3) -0.222(2) 0.347(2) 0.015(9) Uiso 1 1 d . . . . .
C45 C 0.0740(2) -0.21330(17) 0.34051(19) 0.0221(6) Uani 1 1 d . . . . .
H45 H 0.089(3) -0.258(2) 0.343(3) 0.025(11) Uiso 1 1 d . . . . .
C46 C 0.1397(2) -0.16718(16) 0.33567(18) 0.0188(6) Uani 1 1 d . . . . .
H46 H 0.196(2) -0.183(2) 0.338(2) 0.010(8) Uiso 1 1 d . . . . .
C51 C 0.37489(19) 0.11235(16) 0.51122(17) 0.0164(5) Uani 1 1 d . . . . .
C52 C 0.3826(2) 0.15595(18) 0.57444(19) 0.0209(6) Uani 1 1 d . . . . .
H52 H 0.365(3) 0.202(3) 0.567(3) 0.026(11) Uiso 1 1 d . . . . .
C53 C 0.4133(2) 0.1323(2) 0.6446(2) 0.0258(7) Uani 1 1 d . . . . .
H53 H 0.416(3) 0.164(3) 0.684(3) 0.034(13) Uiso 1 1 d . . . . .
C54 C 0.4387(2) 0.0645(2) 0.6534(2) 0.0285(7) Uani 1 1 d . . . . .
H54 H 0.455(4) 0.051(3) 0.710(4) 0.061(19) Uiso 1 1 d . . . . .
C55 C 0.4336(2) 0.0206(2) 0.5913(2) 0.0274(7) Uani 1 1 d . . . . .
H55 H 0.453(3) -0.027(3) 0.595(3) 0.031(13) Uiso 1 1 d . . . . .
C56 C 0.4014(2) 0.04408(18) 0.5212(2) 0.0222(6) Uani 1 1 d . . . . .
H56 H 0.397(3) 0.009(2) 0.477(2) 0.016(9) Uiso 1 1 d . . . . .
C1 C -0.1135(2) -0.09026(18) 0.34329(18) 0.0195(6) Uani 1 1 d . . . . .
C2 C -0.1783(2) -0.1411(2) 0.3708(2) 0.0301(8) Uani 1 1 d . . . . .
H2A H -0.2336 -0.1195 0.3688 0.045 Uiso 1 1 calc R U . . .
H2B H -0.1637 -0.1548 0.4233 0.045 Uiso 1 1 calc R U . . .
H2C H -0.1792 -0.1817 0.3378 0.045 Uiso 1 1 calc R U . . .
C3 C -0.1368(2) -0.0700(2) 0.2598(2) 0.0281(7) Uani 1 1 d . . . . .
H3A H -0.0966 -0.0361 0.2421 0.042 Uiso 1 1 calc R U . . .
H3B H -0.1931 -0.0502 0.2572 0.042 Uiso 1 1 calc R U . . .
H3C H -0.1353 -0.1108 0.2273 0.042 Uiso 1 1 calc R U . . .
C4 C 0.6097(6) 0.2022(4) 0.5170(4) 0.085(3) Uani 1 1 d . . . . .
D4A D 0.5643 0.2316 0.5356 0.102 Uiso 1 1 calc R U . . .
D4B D 0.5928 0.1855 0.4654 0.102 Uiso 1 1 calc R U . . .
Cl1 Cl 0.62573(9) 0.13298(8) 0.57792(10) 0.0602(4) Uani 1 1 d . . . . .
Cl2 Cl 0.70514(18) 0.25118(12) 0.51280(16) 0.1096(9) Uani 1 1 d . . . . .
C5 C 0.1885(8) 0.6158(6) 0.2309(6) 0.122(4) Uani 1 1 d . . . . .
D5A D 0.1340 0.5974 0.2116 0.146 Uiso 1 1 calc R U . . .
D5B D 0.2329 0.5848 0.2134 0.146 Uiso 1 1 calc R U . . .
Cl3 Cl 0.20323(14) 0.69708(12) 0.19222(18) 0.1004(8) Uani 1 1 d . . . . .
Cl4 Cl 0.1903(2) 0.61620(15) 0.32801(19) 0.1283(12) Uani 1 1 d . . . . .
C6 C 0.1427(5) 0.3860(4) 0.7399(4) 0.0654(17) Uani 1 1 d . . . . .
D6A D 0.1639 0.4338 0.7410 0.078 Uiso 0.705(4) 1 calc R U P A 1
D6B D 0.1422 0.3695 0.7932 0.078 Uiso 0.705(4) 1 calc R U P A 1
D6C D 0.0947 0.3698 0.7691 0.078 Uiso 0.295(4) 1 calc R U P A 2
D6D D 0.1710 0.4225 0.7704 0.078 Uiso 0.295(4) 1 calc R U P A 2
Cl5A Cl 0.2076(4) 0.3382(4) 0.6925(6) 0.228(5) Uani 0.705(4) 1 d . . P A 1
Cl6A Cl 0.0385(2) 0.38641(16) 0.7017(2) 0.1014(13) Uani 0.705(4) 1 d . . P A 1
Cl5B Cl 0.1055(7) 0.4207(9) 0.6593(12) 0.228(5) Uani 0.295(4) 1 d . . P A 2
Cl6B Cl 0.2130(8) 0.3173(6) 0.7312(6) 0.1014(13) Uani 0.295(4) 1 d . . 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'
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
O3 Si O1 89.53(11) . .
O3 Si O2 137.48(12) . .
O1 Si O2 87.20(11) . .
O3 Si O4 87.17(11) . .
O1 Si O4 159.64(12) . .
O2 Si O4 81.76(11) . .
O3 Si C51 111.86(13) . .
O1 Si C51 102.14(13) . .
O2 Si C51 110.26(13) . .
O4 Si C51 97.72(13) . .
N1 Ag N2 126.09(9) . .
N1 Ag O2 73.36(8) . .
N2 Ag O2 119.31(8) . .
N1 Ag O4 125.51(8) . .
N2 Ag O4 70.65(8) . .
O2 Ag O4 56.73(7) . .
N1 Ag C34 105.43(9) . 3_556
N2 Ag C34 118.28(10) . 3_556
O2 Ag C34 105.07(9) . 3_556
O4 Ag C34 107.22(9) . 3_556
N1 Ag C33 122.66(9) . 3_556
N2 Ag C33 88.13(10) . 3_556
O2 Ag C33 132.90(9) . 3_556
O4 Ag C33 107.69(9) . 3_556
C34 Ag C33 31.60(10) 3_556 3_556
N1 Ag O5 66.17(8) . .
N2 Ag O5 64.93(8) . .
O2 Ag O5 124.42(7) . .
O4 Ag O5 125.28(7) . .
C34 Ag O5 121.01(8) 3_556 .
C33 Ag O5 101.26(9) 3_556 .
C11 O1 Si 114.06(19) . .
C12 O2 Si 114.96(19) . .
C12 O2 Ag 135.86(19) . .
Si O2 Ag 108.88(11) . .
C21 O3 Si 114.67(19) . .
C22 O4 Si 113.59(19) . .
C22 O4 Ag 134.54(19) . .
Si O4 Ag 104.88(10) . .
C36 O5 C42 115.6(2) . .
C36 O5 Ag 104.53(17) . .
C42 O5 Ag 102.84(17) . .
C19 N1 C31 115.7(3) . .
C19 N1 Ag 134.6(2) . .
C31 N1 Ag 109.65(18) . .
C29 N2 C41 115.6(3) . .
C29 N2 Ag 137.5(2) . .
C41 N2 Ag 106.54(18) . .
O1 C11 C16 126.8(3) . .
O1 C11 C12 112.8(3) . .
C16 C11 C12 120.3(3) . .
O2 C12 C13 124.8(3) . .
O2 C12 C11 110.9(3) . .
C13 C12 C11 124.1(3) . .
C12 C13 C14 116.1(3) . .
C12 C13 C19 122.1(3) . .
C14 C13 C19 121.8(3) . .
C15 C14 C13 117.7(3) . .
C15 C14 C18 118.4(3) . .
C13 C14 C18 123.9(3) . .
C14 C15 C16 125.8(3) . .
C14 C15 H15 117(3) . .
C16 C15 H15 117(3) . .
C11 C16 C15 115.9(3) . .
C11 C16 C17 121.4(3) . .
C15 C16 C17 122.6(3) . .
C16 C17 C172 112.0(3) . .
C16 C17 C173 109.3(3) . .
C172 C17 C173 108.4(3) . .
C16 C17 C171 108.6(3) . .
C172 C17 C171 108.0(3) . .
C173 C17 C171 110.4(3) . .
C17 C171 H17A 109.5 . .
C17 C171 H17B 109.5 . .
H17A C171 H17B 109.5 . .
C17 C171 H17C 109.5 . .
H17A C171 H17C 109.5 . .
H17B C171 H17C 109.5 . .
C17 C172 H17D 109.5 . .
C17 C172 H17E 109.5 . .
H17D C172 H17E 109.5 . .
C17 C172 H17F 109.5 . .
H17D C172 H17F 109.5 . .
H17E C172 H17F 109.5 . .
C17 C173 H17G 109.5 . .
C17 C173 H17H 109.5 . .
H17G C173 H17H 109.5 . .
C17 C173 H17I 109.5 . .
H17G C173 H17I 109.5 . .
H17H C173 H17I 109.5 . .
C183 C18 C182 112.2(3) . .
C183 C18 C181 104.7(3) . .
C182 C18 C181 105.8(3) . .
C183 C18 C14 111.5(3) . .
C182 C18 C14 110.2(3) . .
C181 C18 C14 112.2(3) . .
C18 C181 H18A 109.5 . .
C18 C181 H18B 109.5 . .
H18A C181 H18B 109.5 . .
C18 C181 H18C 109.5 . .
H18A C181 H18C 109.5 . .
H18B C181 H18C 109.5 . .
C18 C182 H18D 109.5 . .
C18 C182 H18E 109.5 . .
H18D C182 H18E 109.5 . .
C18 C182 H18F 109.5 . .
H18D C182 H18F 109.5 . .
H18E C182 H18F 109.5 . .
C18 C183 H18G 109.5 . .
C18 C183 H18H 109.5 . .
H18G C183 H18H 109.5 . .
C18 C183 H18I 109.5 . .
H18G C183 H18I 109.5 . .
H18H C183 H18I 109.5 . .
N1 C19 C13 128.3(3) . .
N1 C19 H19 117(3) . .
C13 C19 H19 114(3) . .
O3 C21 C26 126.5(3) . .
O3 C21 C22 112.4(3) . .
C26 C21 C22 121.1(3) . .
O4 C22 C23 124.9(3) . .
O4 C22 C21 111.7(3) . .
C23 C22 C21 123.3(3) . .
C22 C23 C24 116.7(3) . .
C22 C23 C29 121.4(3) . .
C24 C23 C29 121.8(3) . .
C25 C24 C23 117.5(3) . .
C25 C24 C28 119.6(3) . .
C23 C24 C28 122.9(3) . .
C24 C25 C26 125.5(3) . .
C24 C25 H25 120(3) . .
C26 C25 H25 115(3) . .
C21 C26 C25 115.8(3) . .
C21 C26 C27 121.3(3) . .
C25 C26 C27 122.9(3) . .
C271 C27 C26 109.0(3) . .
C271 C27 C272 109.5(3) . .
C26 C27 C272 110.0(3) . .
C271 C27 C273 108.2(3) . .
C26 C27 C273 112.2(3) . .
C272 C27 C273 107.8(3) . .
C27 C271 H27A 109.5 . .
C27 C271 H27B 109.5 . .
H27A C271 H27B 109.5 . .
C27 C271 H27C 109.5 . .
H27A C271 H27C 109.5 . .
H27B C271 H27C 109.5 . .
C27 C272 H27D 109.5 . .
C27 C272 H27E 109.5 . .
H27D C272 H27E 109.5 . .
C27 C272 H27F 109.5 . .
H27D C272 H27F 109.5 . .
H27E C272 H27F 109.5 . .
C27 C273 H27G 109.5 . .
C27 C273 H27H 109.5 . .
H27G C273 H27H 109.5 . .
C27 C273 H27I 109.5 . .
H27G C273 H27I 109.5 . .
H27H C273 H27I 109.5 . .
C24 C28 C281 111.9(3) . .
C24 C28 C283 110.9(3) . .
C281 C28 C283 105.5(3) . .
C24 C28 C282 111.0(3) . .
C281 C28 C282 105.2(3) . .
C283 C28 C282 112.0(3) . .
C28 C281 H28A 109.5 . .
C28 C281 H28B 109.5 . .
H28A C281 H28B 109.5 . .
C28 C281 H28C 109.5 . .
H28A C281 H28C 109.5 . .
H28B C281 H28C 109.5 . .
C28 C282 H28D 109.5 . .
C28 C282 H28E 109.5 . .
H28D C282 H28E 109.5 . .
C28 C282 H28F 109.5 . .
H28D C282 H28F 109.5 . .
H28E C282 H28F 109.5 . .
C28 C283 H28G 109.5 . .
C28 C283 H28H 109.5 . .
H28G C283 H28H 109.5 . .
C28 C283 H28I 109.5 . .
H28G C283 H28I 109.5 . .
H28H C283 H28I 109.5 . .
N2 C29 C23 126.9(3) . .
N2 C29 H29 117(3) . .
C23 C29 H29 116(3) . .
C32 C31 C36 117.8(3) . .
C32 C31 N1 122.8(3) . .
C36 C31 N1 119.3(3) . .
C33 C32 C31 120.6(3) . .
C33 C32 H32 117(3) . .
C31 C32 H32 122(3) . .
C32 C33 C34 120.4(3) . .
C32 C33 Ag 110.1(2) . 3_556
C34 C33 Ag 72.26(18) . 3_556
C32 C33 H33 120(3) . .
C34 C33 H33 120(3) . .
Ag C33 H33 92(3) 3_556 .
C33 C34 C35 120.2(3) . .
C33 C34 Ag 76.14(18) . 3_556
C35 C34 Ag 108.3(2) . 3_556
C33 C34 H34 119(3) . .
C35 C34 H34 120(3) . .
Ag C34 H34 88(2) 3_556 .
C36 C35 C34 117.9(3) . .
C36 C35 C1 118.4(3) . .
C34 C35 C1 123.5(3) . .
O5 C36 C35 120.3(3) . .
O5 C36 C31 116.7(3) . .
C35 C36 C31 122.9(3) . .
C46 C41 C42 117.6(3) . .
C46 C41 N2 124.0(3) . .
C42 C41 N2 118.3(3) . .
C43 C42 O5 120.7(3) . .
C43 C42 C41 123.1(3) . .
O5 C42 C41 116.1(3) . .
C42 C43 C44 117.7(3) . .
C42 C43 C1 118.0(3) . .
C44 C43 C1 124.2(3) . .
C45 C44 C43 120.4(3) . .
C45 C44 H44 124(2) . .
C43 C44 H44 116(2) . .
C44 C45 C46 120.9(3) . .
C44 C45 H45 124(3) . .
C46 C45 H45 115(3) . .
C45 C46 C41 120.2(3) . .
C45 C46 H46 120(2) . .
C41 C46 H46 120(2) . .
C52 C51 C56 117.3(3) . .
C52 C51 Si 122.3(2) . .
C56 C51 Si 120.4(2) . .
C53 C52 C51 121.4(3) . .
C53 C52 H52 122(3) . .
C51 C52 H52 117(3) . .
C52 C53 C54 120.5(3) . .
C52 C53 H53 116(3) . .
C54 C53 H53 123(3) . .
C55 C54 C53 119.4(3) . .
C55 C54 H54 127(4) . .
C53 C54 H54 114(4) . .
C54 C55 C56 120.1(3) . .
C54 C55 H55 121(3) . .
C56 C55 H55 119(3) . .
C55 C56 C51 121.3(3) . .
C55 C56 H56 117(2) . .
C51 C56 H56 121(2) . .
C35 C1 C43 107.5(2) . .
C35 C1 C2 112.1(3) . .
C43 C1 C2 112.4(3) . .
C35 C1 C3 107.7(3) . .
C43 C1 C3 108.3(3) . .
C2 C1 C3 108.8(3) . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
C1 C3 H3A 109.5 . .
C1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
Cl1 C4 Cl2 109.2(4) . .
Cl1 C4 D4A 109.8 . .
Cl2 C4 D4A 109.8 . .
Cl1 C4 D4B 109.8 . .
Cl2 C4 D4B 109.8 . .
D4A C4 D4B 108.3 . .
Cl4 C5 Cl3 112.9(5) . .
Cl4 C5 D5A 109.0 . .
Cl3 C5 D5A 109.0 . .
Cl4 C5 D5B 109.0 . .
Cl3 C5 D5B 109.0 . .
D5A C5 D5B 107.8 . .
Cl5B C6 Cl6B 116.5(6) . .
Cl5A C6 Cl6A 114.4(4) . .
Cl5A C6 D6A 108.7 . .
Cl6A C6 D6A 108.7 . .
Cl5A C6 D6B 108.7 . .
Cl6A C6 D6B 108.7 . .
D6A C6 D6B 107.6 . .
Cl5B C6 D6C 108.2 . .
Cl6B C6 D6C 108.2 . .
Cl5B C6 D6D 108.2 . .
Cl6B C6 D6D 108.2 . .
D6C C6 D6D 107.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si O3 1.719(2) .
Si O1 1.739(2) .
Si O2 1.754(2) .
Si O4 1.786(2) .
Si C51 1.872(3) .
Ag N1 2.379(3) .
Ag N2 2.394(3) .
Ag O2 2.402(2) .
Ag O4 2.473(2) .
Ag C34 2.547(3) 3_556
Ag C33 2.596(3) 3_556
Ag O5 2.606(2) .
O1 C11 1.353(4) .
O2 C12 1.346(4) .
O3 C21 1.362(4) .
O4 C22 1.338(4) .
O5 C36 1.385(3) .
O5 C42 1.394(4) .
N1 C19 1.298(4) .
N1 C31 1.428(4) .
N2 C29 1.297(4) .
N2 C41 1.418(4) .
C11 C16 1.381(4) .
C11 C12 1.403(4) .
C12 C13 1.400(4) .
C13 C14 1.447(4) .
C13 C19 1.459(4) .
C14 C15 1.386(4) .
C14 C18 1.549(4) .
C15 C16 1.409(4) .
C15 H15 0.87(5) .
C16 C17 1.527(4) .
C17 C172 1.533(5) .
C17 C173 1.538(5) .
C17 C171 1.540(5) .
C171 H17A 0.9800 .
C171 H17B 0.9800 .
C171 H17C 0.9800 .
C172 H17D 0.9800 .
C172 H17E 0.9800 .
C172 H17F 0.9800 .
C173 H17G 0.9800 .
C173 H17H 0.9800 .
C173 H17I 0.9800 .
C18 C183 1.538(4) .
C18 C182 1.541(5) .
C18 C181 1.541(5) .
C181 H18A 0.9800 .
C181 H18B 0.9800 .
C181 H18C 0.9800 .
C182 H18D 0.9800 .
C182 H18E 0.9800 .
C182 H18F 0.9800 .
C183 H18G 0.9800 .
C183 H18H 0.9800 .
C183 H18I 0.9800 .
C19 H19 0.90(4) .
C21 C26 1.381(4) .
C21 C22 1.401(4) .
C22 C23 1.394(4) .
C23 C24 1.447(4) .
C23 C29 1.454(4) .
C24 C25 1.391(4) .
C24 C28 1.538(4) .
C25 C26 1.407(4) .
C25 H25 0.91(5) .
C26 C27 1.531(4) .
C27 C271 1.527(5) .
C27 C272 1.535(5) .
C27 C273 1.537(5) .
C271 H27A 0.9800 .
C271 H27B 0.9800 .
C271 H27C 0.9800 .
C272 H27D 0.9800 .
C272 H27E 0.9800 .
C272 H27F 0.9800 .
C273 H27G 0.9800 .
C273 H27H 0.9800 .
C273 H27I 0.9800 .
C28 C281 1.540(4) .
C28 C283 1.545(5) .
C28 C282 1.549(5) .
C281 H28A 0.9800 .
C281 H28B 0.9800 .
C281 H28C 0.9800 .
C282 H28D 0.9800 .
C282 H28E 0.9800 .
C282 H28F 0.9800 .
C283 H28G 0.9800 .
C283 H28H 0.9800 .
C283 H28I 0.9800 .
C29 H29 0.91(5) .
C31 C32 1.396(4) .
C31 C36 1.405(4) .
C32 C33 1.394(4) .
C32 H32 0.97(4) .
C33 C34 1.401(5) .
C33 Ag 2.596(3) 3_556
C33 H33 0.95(5) .
C34 C35 1.405(4) .
C34 Ag 2.547(3) 3_556
C34 H34 0.88(4) .
C35 C36 1.392(4) .
C35 C1 1.520(4) .
C41 C46 1.394(4) .
C41 C42 1.403(4) .
C42 C43 1.383(4) .
C43 C44 1.396(5) .
C43 C1 1.523(5) .
C44 C45 1.387(5) .
C44 H44 1.01(4) .
C45 C46 1.388(5) .
C45 H45 0.91(5) .
C46 H46 0.95(4) .
C51 C52 1.400(4) .
C51 C56 1.405(4) .
C52 C53 1.388(5) .
C52 H52 0.95(5) .
C53 C54 1.389(5) .
C53 H53 0.93(5) .
C54 C55 1.386(6) .
C54 H54 1.04(7) .
C55 C56 1.395(5) .
C55 H55 0.99(5) .
C56 H56 1.02(4) .
C1 C2 1.525(5) .
C1 C3 1.552(5) .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 Cl1 1.735(7) .
C4 Cl2 1.805(10) .
C4 D4A 0.9900 .
C4 D4B 0.9900 .
C5 Cl4 1.705(11) .
C5 Cl3 1.742(11) .
C5 D5A 0.9900 .
C5 D5B 0.9900 .
C6 Cl5A 1.645(8) .
C6 Cl5B 1.66(3) .
C6 Cl6B 1.759(13) .
C6 Cl6A 1.773(7) .
C6 D6A 0.9900 .
C6 D6B 0.9900 .
C6 D6C 0.9900 .
C6 D6D 0.9900 .
