#------------------------------------------------------------------------------
#$Date: 2019-10-15 03:57:51 +0300 (Tue, 15 Oct 2019) $
#$Revision: 219347 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/13/7701366.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_7701366
loop_
_publ_author_name
'Gupta, Arvind Kumar Kumar'
'Orthaber, Andreas'
_publ_section_title
;
 Facile synthesis of silver alkynide cluster and coordination polymers
 using picolinic acid as co-ligand
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/C9DT03697K
_journal_year                    2019
_chemical_formula_moiety         'C112 H184 Ag13 N4 O8 Si8, Cl O4'
_chemical_formula_sum            'C112 H184 Ag13 Cl N4 O12 Si8'
_chemical_formula_weight         3441.10
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2019-03-01
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-03-11 deposited with the CCDC.    2019-10-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.7990(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   29.1488(6)
_cell_length_b                   16.3089(4)
_cell_length_c                   28.5179(6)
_cell_measurement_reflns_used    9935
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.39
_cell_measurement_theta_min      2.52
_cell_volume                     13550.3(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      150.15
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0354
_diffrn_reflns_av_unetI/netI     0.0293
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            56034
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         2.007
_exptl_absorpt_coefficient_mu    1.975
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6140
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.687
_exptl_crystal_description       Prism
_exptl_crystal_F_000             6880
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.734
_refine_diff_density_min         -0.747
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     754
_refine_ls_number_reflns         11916
_refine_ls_number_restraints     115
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0473
_refine_ls_R_factor_gt           0.0335
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0348P)²+63.2492P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0776
_refine_ls_wR_factor_ref         0.0859
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9652
_reflns_number_total             11916
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt03697k2.cif
_cod_data_source_block           ag_ag_85_0m_a
_cod_database_code               7701366
_shelx_shelxl_version_number     2018/1
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C81-C82 = C81-C83
 1.58 with sigma of 0.02
 Si3-C81 \\sim Si3-C81A
 with sigma of 0.02
 C81-C82 \\sim C81A-C82A
 with sigma of 0.02
 C81-C83 \\sim C81A-C83A
 with sigma of 0.02
 Si3-C82 \\sim Si3-C82A
 with sigma of 0.04
 Si3-C83 \\sim Si3-C83A
 with sigma of 0.04
 C82-C83 \\sim C82A-C83A
 with sigma of 0.04
 Cl2-O5 \\sim Cl2-O6 \\sim Cl2-O7 \\sim Cl2-O8
 with sigma of 0.02
 O5-O7 \\sim O6-O8 \\sim O5-O8 \\sim O6-O7 \\sim O5-O6 \\sim O7-O8
 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
Cl2 \\sim O5 \\sim O6 \\sim O7 \\sim O8: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08
Uanis(C82) \\sim Ueq, Uanis(C83) \\sim Ueq: with sigma of 0.002 and sigma for
terminal atoms of 0.004
Uanis(O6) \\sim Ueq, Uanis(O5) \\sim Ueq, Uanis(O7) \\sim Ueq, Uanis(O8) \\sim
Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.06
4. Rigid body (RIGU) restrains
 Cl2, O5, O6, O7, O8
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O6, Cl2, O5, O7, O8
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(C82A)=Sof(H82D)=Sof(H82E)=Sof(H82F)=Sof(C81A)=Sof(H81A)=Sof(C83A)=
 Sof(H83D)=Sof(H83E)=Sof(H83F)=1-FVAR(1)
 Sof(C81)=Sof(H81)=Sof(C82)=Sof(H82A)=Sof(H82B)=Sof(H82C)=Sof(C83)=Sof(H83A)=
 Sof(H83B)=Sof(H83C)=FVAR(1)
 Fixed Sof: Cl2(0.5) O5(0.5) O6(0.5) O7(0.5) O8(0.5)
6.a Ternary CH refined with riding coordinates:
 C11(H11), C21(H21), C31(H31), C41(H41), C51(H51), C61(H61), C71(H71),
 C81(H81), C91(H91), C101(H101), C111(H111), C121(H121), C81A(H81A)
6.b Aromatic/amide H refined with riding coordinates:
 C3L(H3L), C4L(H4L), C5L(H5L), C6L(H6L), C9L(H9L), C10L(H10L), C11L(H11L),
 C12L(H12L)
6.c Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C22(H22A,H22B,H22C), C23(H23A,H23B,
 H23C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C42(H42A,H42B,H42C), C43(H43A,
 H43B,H43C), C52(H52A,H52B,H52C), C53(H53A,H53B,H53C), C62(H62A,H62B,H62C),
 C63(H63A,H63B,H63C), C72(H72A,H72B,H72C), C73(H73A,H73B,H73C), C92(H92A,H92B,
 H92C), C93(H93A,H93B,H93C), C102(H10A,H10B,H10C), C103(H10D,H10E,H10F),
 C112(H11A,H11B,H11C), C113(H11D,H11E,H11F), C122(H12D,H12E,H12F), C123(H12G,
 H12H,H12I), C82(H82A,H82B,H82C), C83(H83A,H83B,H83C), C82A(H82D,H82E,H82F),
 C83A(H83D,H83E,H83F)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Ag1 Ag 0.66433(2) 0.16976(2) 0.44808(2) 0.04636(11) Uani 1 1 d . . . . .
Ag2 Ag 0.74166(2) 0.10894(2) 0.38217(2) 0.03027(9) Uani 1 1 d . . . . .
Ag3 Ag 0.70481(2) 0.27324(2) 0.35018(2) 0.04058(10) Uani 1 1 d . . . . .
Ag4 Ag 0.77966(2) 0.33702(2) 0.41769(2) 0.03924(10) Uani 1 1 d . . . . .
Ag5 Ag 0.750000 0.250000 0.500000 0.05010(16) Uani 1 2 d S T P . .
Ag6 Ag 0.69898(2) 0.39765(2) 0.52494(2) 0.04030(10) Uani 1 1 d . . . . .
Ag7 Ag 0.66431(2) 0.30750(2) 0.62122(2) 0.04598(11) Uani 1 1 d . . . . .
Si1 Si 0.57257(4) 0.15571(8) 0.34054(5) 0.0375(3) Uani 1 1 d . . . . .
C1 C 0.67416(14) 0.1424(3) 0.36937(16) 0.0314(10) Uani 1 1 d . . . . .
C2 C 0.63320(15) 0.1525(3) 0.36243(17) 0.0336(10) Uani 1 1 d . . . . .
C11 C 0.54270(17) 0.0637(3) 0.3646(2) 0.0507(14) Uani 1 1 d . . . . .
H11 H 0.563981 0.016253 0.360646 0.061 Uiso 1 1 calc R . . . .
C12 C 0.4981(2) 0.0424(4) 0.3362(3) 0.0717(19) Uani 1 1 d . . . . .
H12A H 0.483696 -0.005807 0.349997 0.108 Uiso 1 1 calc GR . . . .
H12B H 0.505504 0.030613 0.303592 0.108 Uiso 1 1 calc GR . . . .
H12C H 0.476898 0.088982 0.337036 0.108 Uiso 1 1 calc GR . . . .
C13 C 0.5333(2) 0.0690(4) 0.4174(2) 0.0728(19) Uani 1 1 d . . . . .
H13A H 0.510043 0.111094 0.422603 0.109 Uiso 1 1 calc GR . . . .
H13B H 0.561714 0.083276 0.434720 0.109 Uiso 1 1 calc GR . . . .
H13C H 0.522136 0.015829 0.428313 0.109 Uiso 1 1 calc GR . . . .
C21 C 0.57551(16) 0.1458(3) 0.27449(19) 0.0455(13) Uani 1 1 d . . . . .
H21 H 0.543143 0.143603 0.261844 0.055 Uiso 1 1 calc R . . . .
C22 C 0.5985(2) 0.0660(4) 0.2602(2) 0.0631(17) Uani 1 1 d . . . . .
H22A H 0.598787 0.062496 0.225915 0.095 Uiso 1 1 calc GR . . . .
H22B H 0.581349 0.019385 0.272513 0.095 Uiso 1 1 calc GR . . . .
H22C H 0.630060 0.064696 0.273035 0.095 Uiso 1 1 calc GR . . . .
C23 C 0.59799(19) 0.2187(4) 0.2517(2) 0.0551(15) Uani 1 1 d . . . . .
H23A H 0.629711 0.223862 0.263760 0.083 Uiso 1 1 calc GR . . . .
H23B H 0.580948 0.268681 0.258978 0.083 Uiso 1 1 calc GR . . . .
H23C H 0.597852 0.210763 0.217643 0.083 Uiso 1 1 calc GR . . . .
C31 C 0.54874(16) 0.2587(3) 0.35517(19) 0.0432(12) Uani 1 1 d . . . . .
H31 H 0.570175 0.299413 0.341452 0.052 Uiso 1 1 calc R . . . .
C32 C 0.50176(19) 0.2747(4) 0.3307(3) 0.073(2) Uani 1 1 d . . . . .
H32A H 0.478588 0.239232 0.344486 0.110 Uiso 1 1 calc GR . . . .
H32B H 0.503601 0.262672 0.297159 0.110 Uiso 1 1 calc GR . . . .
H32C H 0.493167 0.332210 0.334956 0.110 Uiso 1 1 calc GR . . . .
C33 C 0.5477(2) 0.2793(4) 0.4077(2) 0.0589(16) Uani 1 1 d . . . . .
H33A H 0.539047 0.336881 0.411637 0.088 Uiso 1 1 calc GR . . . .
H33B H 0.578147 0.269944 0.422279 0.088 Uiso 1 1 calc GR . . . .
H33C H 0.525199 0.244111 0.422780 0.088 Uiso 1 1 calc GR . . . .
Si2 Si 0.89492(4) -0.03090(8) 0.42288(4) 0.0304(3) Uani 1 1 d . . . . .
C3 C 0.80655(14) 0.0629(3) 0.39698(15) 0.0281(9) Uani 1 1 d . . . . .
C4 C 0.84164(14) 0.0305(3) 0.41157(15) 0.0301(10) Uani 1 1 d . . . . .
C41 C 0.89833(17) -0.1034(3) 0.37186(17) 0.0433(12) Uani 1 1 d . . . . .
H41 H 0.927387 -0.135467 0.376310 0.052 Uiso 1 1 calc R . . . .
C42 C 0.9013(2) -0.0579(4) 0.32592(18) 0.0598(16) Uani 1 1 d . . . . .
H42A H 0.906903 -0.096999 0.300640 0.090 Uiso 1 1 calc GR . . . .
H42B H 0.926554 -0.018258 0.328072 0.090 Uiso 1 1 calc GR . . . .
H42C H 0.872391 -0.028880 0.319239 0.090 Uiso 1 1 calc GR . . . .
C43 C 0.8588(2) -0.1650(4) 0.3699(2) 0.0713(18) Uani 1 1 d . . . . .
H43A H 0.829540 -0.135516 0.367899 0.107 Uiso 1 1 calc GR . . . .
H43B H 0.860014 -0.198862 0.398329 0.107 Uiso 1 1 calc GR . . . .
H43C H 0.861577 -0.200201 0.342291 0.107 Uiso 1 1 calc GR . . . .
C51 C 0.94304(15) 0.0456(3) 0.42377(19) 0.0414(12) Uani 1 1 d . . . . .
H51 H 0.935619 0.085076 0.397778 0.050 Uiso 1 1 calc R . . . .
C52 C 0.94418(18) 0.0961(3) 0.4686(2) 0.0600(17) Uani 1 1 d . . . . .
H52A H 0.953666 0.061224 0.495115 0.090 Uiso 1 1 calc GR . . . .
H52B H 0.913539 0.118371 0.473814 0.090 Uiso 1 1 calc GR . . . .
H52C H 0.966072 0.141293 0.465651 0.090 Uiso 1 1 calc GR . . . .
C53 C 0.99022(17) 0.0110(4) 0.4136(2) 0.0590(16) Uani 1 1 d . . . . .
H53A H 1.012422 0.055903 0.411892 0.088 Uiso 1 1 calc GR . . . .
H53B H 0.988769 -0.018475 0.383639 0.088 Uiso 1 1 calc GR . . . .
H53C H 0.999826 -0.026859 0.438753 0.088 Uiso 1 1 calc GR . . . .
C61 C 0.89222(17) -0.0865(3) 0.48049(17) 0.0415(12) Uani 1 1 d . . . . .
H61 H 0.899933 -0.045004 0.505309 0.050 Uiso 1 1 calc R . . . .
C62 C 0.8460(2) -0.1205(4) 0.4921(2) 0.0657(17) Uani 1 1 d . . . . .
H62A H 0.837328 -0.163577 0.469509 0.099 Uiso 1 1 calc GR . . . .
H62B H 0.823065 -0.076495 0.490420 0.099 Uiso 1 1 calc GR . . . .
H62C H 0.847326 -0.143568 0.523809 0.099 Uiso 1 1 calc GR . . . .
C63 C 0.92903(19) -0.1531(4) 0.4852(2) 0.0588(16) Uani 1 1 d . . . . .
H63A H 0.927146 -0.179687 0.515901 0.088 Uiso 1 1 calc GR . . . .
H63B H 0.959437 -0.128359 0.482308 0.088 Uiso 1 1 calc GR . . . .
H63C H 0.924078 -0.194061 0.460380 0.088 Uiso 1 1 calc GR . . . .
Si3 Si 0.80177(6) 0.26959(10) 0.24425(5) 0.0475(4) Uani 1 1 d D . . . .
C5 C 0.78353(17) 0.2935(3) 0.34853(17) 0.0395(11) Uani 1 1 d . . . . .
C6 C 0.79079(16) 0.2796(3) 0.30807(18) 0.0379(11) Uani 1 1 d . . . . .
C71 C 0.8647(2) 0.2675(5) 0.2370(2) 0.075(2) Uani 1 1 d . . . . .
H71 H 0.876209 0.218735 0.255022 0.090 Uiso 1 1 calc R . . . .
C72 C 0.8773(3) 0.2519(7) 0.1850(3) 0.123(4) Uani 1 1 d . . . . .
H72A H 0.870627 0.301149 0.166339 0.184 Uiso 1 1 calc GR . . . .
H72B H 0.859183 0.205836 0.172399 0.184 Uiso 1 1 calc GR . . . .
H72C H 0.910058 0.238827 0.183608 0.184 Uiso 1 1 calc GR . . . .
C73 C 0.8893(2) 0.3408(5) 0.2583(3) 0.104(3) Uani 1 1 d . . . . .
H73A H 0.922533 0.331350 0.258433 0.156 Uiso 1 1 calc GR . . . .
H73B H 0.879544 0.348769 0.290535 0.156 Uiso 1 1 calc GR . . . .
H73C H 0.881872 0.389872 0.239709 0.156 Uiso 1 1 calc GR . . . .
C81 C 0.7685(5) 0.3469(10) 0.2085(7) 0.057(6) Uani 0.477(11) 1 d D . . A 1
H81 H 0.760869 0.321997 0.177166 0.068 Uiso 0.477(11) 1 calc R . . A 1
C91 C 0.7774(3) 0.1693(4) 0.2235(2) 0.075(2) Uani 1 1 d . . . . .
H91 H 0.783529 0.165623 0.189220 0.090 Uiso 1 1 calc R . . . .
C92 C 0.7251(3) 0.1618(5) 0.2281(3) 0.093(3) Uani 1 1 d . . . . .
H92A H 0.715074 0.107079 0.217968 0.140 Uiso 1 1 calc GR . . . .
H92B H 0.709671 0.203323 0.208349 0.140 Uiso 1 1 calc GR . . . .
H92C H 0.717174 0.170336 0.260882 0.140 Uiso 1 1 calc GR . . . .
C93 C 0.8026(3) 0.0978(5) 0.2469(3) 0.111(3) Uani 1 1 d . . . . .
H93A H 0.795511 0.096215 0.280271 0.167 Uiso 1 1 calc GR . . . .
H93B H 0.835723 0.104595 0.243634 0.167 Uiso 1 1 calc GR . . . .
H93C H 0.792676 0.046376 0.231927 0.167 Uiso 1 1 calc GR . . . .
Si4 Si 0.81229(5) 0.53967(8) 0.46443(6) 0.0455(4) Uani 1 1 d . . . . .
C7 C 0.77266(15) 0.3725(3) 0.49475(15) 0.0302(10) Uani 1 1 d . . . . .
C8 C 0.78983(14) 0.4363(3) 0.48138(16) 0.0313(10) Uani 1 1 d . . . . .
C101 C 0.7628(2) 0.5880(3) 0.4315(2) 0.0579(16) Uani 1 1 d . . . . .
H101 H 0.737172 0.589912 0.454069 0.070 Uiso 1 1 calc R . . . .
C102 C 0.7440(2) 0.5414(4) 0.3893(3) 0.081(2) Uani 1 1 d . . . . .
H10A H 0.715073 0.566338 0.378266 0.122 Uiso 1 1 calc GR . . . .
H10B H 0.738669 0.484199 0.398033 0.122 Uiso 1 1 calc GR . . . .
H10C H 0.766254 0.543559 0.364241 0.122 Uiso 1 1 calc GR . . . .
C103 C 0.7713(3) 0.6769(4) 0.4176(3) 0.113(3) Uani 1 1 d . . . . .
H10D H 0.795636 0.678924 0.394693 0.169 Uiso 1 1 calc GR . . . .
H10E H 0.780575 0.708646 0.445429 0.169 Uiso 1 1 calc GR . . . .
H10F H 0.743016 0.700175 0.403563 0.169 Uiso 1 1 calc GR . . . .
C111 C 0.8248(2) 0.5974(3) 0.5202(3) 0.0662(19) Uani 1 1 d . . . . .
H111 H 0.835236 0.653195 0.510672 0.079 Uiso 1 1 calc R . . . .
C112 C 0.7831(3) 0.6101(5) 0.5489(3) 0.098(3) Uani 1 1 d . . . . .
H11A H 0.772859 0.557277 0.561101 0.147 Uiso 1 1 calc GR . . . .
H11B H 0.758515 0.634382 0.529177 0.147 Uiso 1 1 calc GR . . . .
H11C H 0.790729 0.647055 0.575083 0.147 Uiso 1 1 calc GR . . . .
C113 C 0.8634(3) 0.5611(5) 0.5498(3) 0.101(3) Uani 1 1 d . . . . .
H11D H 0.870161 0.597049 0.576664 0.151 Uiso 1 1 calc GR . . . .
H11E H 0.890733 0.555843 0.530933 0.151 Uiso 1 1 calc GR . . . .
H11F H 0.854272 0.506910 0.561045 0.151 Uiso 1 1 calc GR . . . .
C121 C 0.8669(2) 0.5252(4) 0.4328(3) 0.073(2) Uani 1 1 d . . . . .
H121 H 0.887096 0.491069 0.454019 0.088 Uiso 1 1 calc R . . . .
C122 C 0.8640(2) 0.4806(5) 0.3872(3) 0.090(2) Uani 1 1 d . . . . .
H12D H 0.848323 0.515054 0.363528 0.135 Uiso 1 1 calc GR . . . .
H12E H 0.846700 0.429564 0.390973 0.135 Uiso 1 1 calc GR . . . .
H12F H 0.894984 0.467756 0.377069 0.135 Uiso 1 1 calc GR . . . .
C123 C 0.8925(3) 0.6061(5) 0.4262(5) 0.162(6) Uani 1 1 d . . . . .
H12G H 0.923512 0.594727 0.415549 0.243 Uiso 1 1 calc GR . . . .
H12H H 0.894497 0.635688 0.456111 0.243 Uiso 1 1 calc GR . . . .
H12I H 0.875942 0.639653 0.402746 0.243 Uiso 1 1 calc GR . . . .
C1L C 0.61586(17) 0.2128(3) 0.53372(19) 0.0414(12) Uani 1 1 d . . . . .
C2L C 0.58016(17) 0.2140(3) 0.5718(2) 0.0465(13) Uani 1 1 d . . . . .
C3L C 0.53804(19) 0.1766(4) 0.5642(2) 0.0668(17) Uani 1 1 d . . . . .
H3L H 0.531601 0.147205 0.535980 0.080 Uiso 1 1 calc R . . . .
C4L C 0.5055(2) 0.1824(5) 0.5980(3) 0.085(2) Uani 1 1 d . . . . .
H4L H 0.476264 0.157563 0.593361 0.102 Uiso 1 1 calc R . . . .
C5L C 0.5159(2) 0.2240(5) 0.6380(3) 0.077(2) Uani 1 1 d . . . . .
H5L H 0.493869 0.229268 0.661693 0.093 Uiso 1 1 calc R . . . .
C6L C 0.55864(19) 0.2586(4) 0.6439(2) 0.0549(15) Uani 1 1 d . . . . .
H6L H 0.565648 0.286873 0.672394 0.066 Uiso 1 1 calc R . . . .
C7L C 0.66127(15) 0.3874(3) 0.42736(15) 0.0328(10) Uani 1 1 d . . . . .
C8L C 0.64101(14) 0.4185(3) 0.38185(15) 0.0297(10) Uani 1 1 d . . . . .
C9L C 0.60903(16) 0.4816(3) 0.38153(17) 0.0431(12) Uani 1 1 d . . . . .
H9L H 0.600480 0.505957 0.410216 0.052 Uiso 1 1 calc R . . . .
C10L C 0.58968(17) 0.5088(3) 0.33972(18) 0.0474(13) Uani 1 1 d . . . . .
H10L H 0.567118 0.550900 0.339135 0.057 Uiso 1 1 calc R . . . .
C11L C 0.60389(18) 0.4736(3) 0.29879(18) 0.0469(13) Uani 1 1 d . . . . .
H11L H 0.591532 0.491326 0.269283 0.056 Uiso 1 1 calc R . . . .
C12L C 0.63621(17) 0.4124(3) 0.30130(16) 0.0404(12) Uani 1 1 d . . . . .
H12L H 0.646215 0.389049 0.272853 0.049 Uiso 1 1 calc R . . . .
N1 N 0.59093(13) 0.2544(3) 0.61169(15) 0.0426(10) Uani 1 1 d . . . . .
N2 N 0.65442(12) 0.3837(2) 0.34207(13) 0.0323(8) Uani 1 1 d . . . . .
O1 O 0.65143(11) 0.2555(2) 0.54005(12) 0.0436(8) Uani 1 1 d . . . . .
O2 O 0.60665(12) 0.1684(3) 0.49911(13) 0.0563(10) Uani 1 1 d . . . . .
O3 O 0.65483(12) 0.4322(2) 0.46225(12) 0.0540(10) Uani 1 1 d . . . . .
O4 O 0.68356(10) 0.32225(19) 0.42809(10) 0.0346(7) Uani 1 1 d . . . . .
C82 C 0.7240(4) 0.3696(7) 0.2312(4) 0.053(4) Uani 0.477(11) 1 d D U . A 1
H82A H 0.703496 0.321937 0.230810 0.080 Uiso 0.477(11) 1 calc GR . . A 1
H82B H 0.709308 0.414713 0.213710 0.080 Uiso 0.477(11) 1 calc GR . . A 1
H82C H 0.730405 0.386671 0.263656 0.080 Uiso 0.477(11) 1 calc GR . . A 1
C83 C 0.7954(5) 0.4259(8) 0.2005(6) 0.075(5) Uani 0.477(11) 1 d D U . A 1
H83A H 0.804195 0.450516 0.230785 0.112 Uiso 0.477(11) 1 calc GR . . A 1
H83B H 0.776190 0.464538 0.182281 0.112 Uiso 0.477(11) 1 calc GR . . A 1
H83C H 0.823078 0.413435 0.183149 0.112 Uiso 0.477(11) 1 calc GR . . A 1
C82A C 0.7790(9) 0.4411(9) 0.2452(8) 0.168(12) Uani 0.523(11) 1 d D . . A 2
H82D H 0.773458 0.433426 0.278600 0.252 Uiso 0.523(11) 1 calc GR . . A 2
H82E H 0.757363 0.481799 0.232111 0.252 Uiso 0.523(11) 1 calc GR . . A 2
H82F H 0.810468 0.460406 0.241299 0.252 Uiso 0.523(11) 1 calc GR . . A 2
C81A C 0.7724(8) 0.3632(10) 0.2205(6) 0.073(8) Uani 0.523(11) 1 d D . . A 2
H81A H 0.739317 0.350893 0.225455 0.087 Uiso 0.523(11) 1 calc R . . A 2
C83A C 0.7741(5) 0.3711(9) 0.1678(4) 0.084(5) Uani 0.523(11) 1 d D . . A 2
H83D H 0.805744 0.381641 0.158899 0.127 Uiso 0.523(11) 1 calc GR . . A 2
H83E H 0.754437 0.416684 0.157285 0.127 Uiso 0.523(11) 1 calc GR . . A 2
H83F H 0.763171 0.320120 0.153110 0.127 Uiso 0.523(11) 1 calc GR . . A 2
Cl2 Cl 1.0018(4) 0.1265(2) 0.2524(5) 0.0713(13) Uani 0.5 1 d D U . B -1
O5 O 1.0173(6) 0.2051(8) 0.2546(7) 0.227(10) Uani 0.5 1 d D U . B -1
O6 O 1.0014(5) 0.1041(10) 0.2983(4) 0.143(6) Uani 0.5 1 d D U . B -1
O7 O 1.0165(6) 0.0713(11) 0.2212(6) 0.182(9) Uani 0.5 1 d D U . B -1
O8 O 0.9549(3) 0.1349(7) 0.2422(6) 0.124(5) Uani 0.5 1 d D U . B -1
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'
Ag Ag -0.8971 1.1015 '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'
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'
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
Ag2 Ag1 Ag5 80.740(12) . .
C1 Ag1 Ag2 41.05(10) . .
C1 Ag1 Ag5 114.56(11) . .
C1 Ag1 C2 27.93(14) . .
C1 Ag1 C7 117.76(15) . 7_656
C2 Ag1 Ag2 68.81(10) . .
C2 Ag1 Ag5 137.47(10) . .
C7 Ag1 Ag2 77.17(10) 7_656 .
C7 Ag1 Ag5 41.96(10) 7_656 .
C7 Ag1 C2 143.86(14) 7_656 .
O2 Ag1 Ag2 161.00(11) . .
O2 Ag1 Ag5 107.26(10) . .
O2 Ag1 C1 137.76(14) . .
O2 Ag1 C2 111.11(14) . .
O2 Ag1 C7 97.07(14) . 7_656
Ag3 Ag2 Ag1 69.216(12) . .
Ag3 Ag2 Ag6 118.033(15) . 7_656
Ag3 Ag2 Ag7 84.595(14) . 7_656
Ag6 Ag2 Ag1 83.805(13) 7_656 .
Ag7 Ag2 Ag1 122.533(15) 7_656 .
Ag7 Ag2 Ag6 64.502(12) 7_656 7_656
C1 Ag2 Ag1 47.47(13) . .
C1 Ag2 Ag3 51.91(13) . .
C1 Ag2 Ag6 131.27(13) . 7_656
C1 Ag2 Ag7 136.50(13) . 7_656
C1 Ag2 C3 173.71(18) . .
C3 Ag2 Ag1 131.45(12) . .
C3 Ag2 Ag3 134.38(12) . .
C3 Ag2 Ag6 48.26(12) . 7_656
C3 Ag2 Ag7 49.78(12) . 7_656
Ag2 Ag3 Ag4 82.594(13) . .
C1 Ag3 Ag2 42.95(10) . .
C1 Ag3 Ag4 115.25(10) . .
C1 Ag3 O4 88.66(13) . .
C5 Ag3 Ag2 77.88(12) . .
C5 Ag3 Ag4 43.55(12) . .
C5 Ag3 C1 120.70(16) . .
C5 Ag3 N2 120.53(15) . .
C5 Ag3 O4 104.43(14) . .
N2 Ag3 Ag2 158.98(9) . .
N2 Ag3 Ag4 103.60(9) . .
N2 Ag3 C1 118.36(14) . .
N2 Ag3 O4 70.28(11) . .
O4 Ag3 Ag2 96.48(7) . .
O4 Ag3 Ag4 60.90(7) . .
Ag3 Ag4 Ag7 83.617(14) . 7_656
Ag5 Ag4 Ag3 96.816(13) . .
Ag5 Ag4 Ag7 95.264(13) . 7_656
C5 Ag4 Ag3 49.49(13) . .
C5 Ag4 Ag5 128.38(13) . .
C5 Ag4 Ag7 50.35(13) . 7_656
C5 Ag4 C7 174.59(17) . .
C5 Ag4 C8 155.74(17) . .
C7 Ag4 Ag3 127.56(11) . .
C7 Ag4 Ag5 46.23(11) . .
C7 Ag4 Ag7 126.98(11) . 7_656
C7 Ag4 C8 29.66(15) . .
C8 Ag4 Ag3 139.75(10) . .
C8 Ag4 Ag5 75.82(11) . .
C8 Ag4 Ag7 135.92(10) . 7_656
Ag1 Ag5 Ag1 180.0 7_656 .
Ag4 Ag5 Ag1 94.307(11) 7_656 7_656
Ag4 Ag5 Ag1 85.693(11) . 7_656
Ag4 Ag5 Ag1 94.306(11) . .
Ag4 Ag5 Ag1 85.693(11) 7_656 .
Ag4 Ag5 Ag4 180.0 . 7_656
Ag4 Ag5 Ag6 92.250(10) . 7_656
Ag4 Ag5 Ag6 87.751(10) . .
Ag4 Ag5 Ag6 92.248(10) 7_656 .
Ag4 Ag5 Ag6 87.751(10) 7_656 7_656
Ag6 Ag5 Ag1 86.870(10) . 7_656
Ag6 Ag5 Ag1 86.868(10) 7_656 .
Ag6 Ag5 Ag1 93.132(10) 7_656 7_656
Ag6 Ag5 Ag1 93.131(10) . .
Ag6 Ag5 Ag6 180.0 7_656 .
C7 Ag5 Ag1 52.74(12) 7_656 .
C7 Ag5 Ag1 127.26(12) . .
C7 Ag5 Ag1 127.26(12) 7_656 7_656
C7 Ag5 Ag1 52.74(12) . 7_656
C7 Ag5 Ag4 51.48(12) 7_656 7_656
C7 Ag5 Ag4 128.52(12) 7_656 .
C7 Ag5 Ag4 128.52(12) . 7_656
C7 Ag5 Ag4 51.48(12) . .
C7 Ag5 Ag6 53.24(12) 7_656 7_656
C7 Ag5 Ag6 53.24(12) . .
C7 Ag5 Ag6 126.76(12) 7_656 .
C7 Ag5 Ag6 126.76(12) . 7_656
C7 Ag5 C7 180.0 . 7_656
Ag2 Ag6 Ag7 56.945(12) 7_656 .
Ag5 Ag6 Ag2 84.582(11) . 7_656
Ag5 Ag6 Ag7 90.392(12) . .
C3 Ag6 Ag2 41.48(10) 7_656 7_656
C3 Ag6 Ag5 120.68(10) 7_656 .
C3 Ag6 Ag7 45.20(11) 7_656 .
C3 Ag6 C4 28.94(14) 7_656 7_656
C3 Ag6 C7 119.02(15) 7_656 .
C4 Ag6 Ag2 70.26(10) 7_656 7_656
C4 Ag6 Ag5 145.17(10) 7_656 .
C4 Ag6 Ag7 55.90(11) 7_656 .
C7 Ag6 Ag2 79.52(10) . 7_656
C7 Ag6 Ag5 45.44(10) . .
C7 Ag6 Ag7 121.93(10) . .
C7 Ag6 C4 143.30(14) . 7_656
O3 Ag6 Ag2 167.16(10) . 7_656
O3 Ag6 Ag5 107.21(9) . .
O3 Ag6 Ag7 126.31(11) . .
O3 Ag6 C3 129.65(13) . 7_656
O3 Ag6 C4 100.83(13) . 7_656
O3 Ag6 C7 104.91(14) . .
Ag2 Ag7 Ag4 81.070(13) 7_656 7_656
Ag2 Ag7 Ag6 58.554(11) 7_656 .
Ag4 Ag7 Ag6 82.077(14) 7_656 .
C3 Ag7 Ag2 42.35(10) 7_656 7_656
C3 Ag7 Ag4 114.14(10) 7_656 7_656
C3 Ag7 Ag6 44.85(10) 7_656 .
C3 Ag7 C5 118.18(16) 7_656 7_656
C3 Ag7 O1 98.45(13) 7_656 .
C5 Ag7 Ag2 76.00(12) 7_656 7_656
C5 Ag7 Ag4 42.74(12) 7_656 7_656
C5 Ag7 Ag6 113.60(12) 7_656 .
C5 Ag7 O1 100.21(14) 7_656 .
N1 Ag7 Ag2 170.44(10) . 7_656
N1 Ag7 Ag4 99.74(10) . 7_656
N1 Ag7 Ag6 112.01(11) . .
N1 Ag7 C3 130.65(14) . 7_656
N1 Ag7 C5 111.11(16) . 7_656
N1 Ag7 O1 69.56(13) . .
O1 Ag7 Ag2 103.39(8) . 7_656
O1 Ag7 Ag4 58.08(7) . 7_656
O1 Ag7 Ag6 54.40(8) . .
C2 Si1 C11 107.6(2) . .
C2 Si1 C21 105.0(2) . .
C2 Si1 C31 107.9(2) . .
C11 Si1 C21 109.3(2) . .
C31 Si1 C11 117.2(3) . .
C31 Si1 C21 109.1(2) . .
Ag1 C1 Ag3 96.26(15) . .
Ag2 C1 Ag1 91.48(16) . .
Ag2 C1 Ag3 85.14(15) . .
C2 C1 Ag1 88.9(3) . .
C2 C1 Ag2 172.3(4) . .
C2 C1 Ag3 102.4(3) . .
Si1 C2 Ag1 127.9(2) . .
C1 C2 Ag1 63.2(3) . .
C1 C2 Si1 168.2(4) . .
Si1 C11 H11 106.4 . .
C12 C11 Si1 112.4(4) . .
C12 C11 H11 106.4 . .
C13 C11 Si1 114.3(4) . .
C13 C11 H11 106.4 . .
C13 C11 C12 110.5(5) . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12B 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C11 C13 H13A 109.5 . .
C11 C13 H13B 109.5 . .
C11 C13 H13C 109.5 . .
H13A C13 H13B 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
Si1 C21 H21 106.9 . .
C22 C21 Si1 111.8(4) . .
C22 C21 H21 106.9 . .
C23 C21 Si1 113.2(4) . .
C23 C21 H21 106.9 . .
C23 C21 C22 110.9(5) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22B 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23B 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
Si1 C31 H31 105.6 . .
C32 C31 Si1 112.5(4) . .
C32 C31 H31 105.6 . .
C33 C31 Si1 115.6(4) . .
C33 C31 H31 105.6 . .
C33 C31 C32 111.1(5) . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32B 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C31 C33 H33A 109.5 . .
C31 C33 H33B 109.5 . .
C31 C33 H33C 109.5 . .
H33A C33 H33B 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C4 Si2 C41 105.5(2) . .
C4 Si2 C51 105.2(2) . .
C4 Si2 C61 110.6(2) . .
C41 Si2 C61 112.2(2) . .
C51 Si2 C41 111.8(2) . .
C51 Si2 C61 111.1(2) . .
Ag2 C3 Ag6 90.26(16) . 7_656
Ag2 C3 Ag7 87.86(15) . 7_656
Ag6 C3 Ag7 89.95(15) 7_656 7_656
C4 C3 Ag2 170.0(4) . .
C4 C3 Ag6 82.9(3) . 7_656
C4 C3 Ag7 99.3(3) . 7_656
Si2 C4 Ag6 122.6(2) . 7_656
C3 C4 Ag6 68.2(3) . 7_656
C3 C4 Si2 168.7(4) . .
Si2 C41 H41 107.2 . .
C42 C41 Si2 111.6(4) . .
C42 C41 H41 107.2 . .
C42 C41 C43 110.8(5) . .
C43 C41 Si2 112.6(4) . .
C43 C41 H41 107.2 . .
C41 C42 H42A 109.5 . .
C41 C42 H42B 109.5 . .
C41 C42 H42C 109.5 . .
H42A C42 H42B 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C41 C43 H43A 109.5 . .
C41 C43 H43B 109.5 . .
C41 C43 H43C 109.5 . .
H43A C43 H43B 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
Si2 C51 H51 105.9 . .
C52 C51 Si2 111.6(4) . .
C52 C51 H51 105.9 . .
C52 C51 C53 111.4(4) . .
C53 C51 Si2 115.4(4) . .
C53 C51 H51 105.9 . .
C51 C52 H52A 109.5 . .
C51 C52 H52B 109.5 . .
C51 C52 H52C 109.5 . .
H52A C52 H52B 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C51 C53 H53A 109.5 . .
C51 C53 H53B 109.5 . .
C51 C53 H53C 109.5 . .
H53A C53 H53B 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
Si2 C61 H61 106.1 . .
C62 C61 Si2 115.6(4) . .
C62 C61 H61 106.1 . .
C62 C61 C63 110.5(5) . .
C63 C61 Si2 111.8(4) . .
C63 C61 H61 106.1 . .
C61 C62 H62A 109.5 . .
C61 C62 H62B 109.5 . .
C61 C62 H62C 109.5 . .
H62A C62 H62B 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
C61 C63 H63A 109.5 . .
C61 C63 H63B 109.5 . .
C61 C63 H63C 109.5 . .
H63A C63 H63B 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
C6 Si3 C81 111.8(6) . .
C6 Si3 C91 108.1(3) . .
C6 Si3 C81A 101.0(6) . .
C71 Si3 C6 108.2(3) . .
C71 Si3 C81 116.6(5) . .
C71 Si3 C91 108.4(4) . .
C71 Si3 C81A 114.7(8) . .
C91 Si3 C81 103.4(7) . .
C81A Si3 C91 115.8(8) . .
Ag3 C5 Ag7 120.9(2) . 7_656
Ag4 C5 Ag3 86.96(17) . .
Ag4 C5 Ag7 86.91(18) . 7_656
C6 C5 Ag3 101.3(4) . .
C6 C5 Ag4 168.9(4) . .
C6 C5 Ag7 95.0(4) . 7_656
C5 C6 Si3 174.1(4) . .
Si3 C71 H71 105.9 . .
C72 C71 Si3 111.9(5) . .
C72 C71 H71 105.9 . .
C73 C71 Si3 113.5(5) . .
C73 C71 H71 105.9 . .
C73 C71 C72 112.8(7) . .
C71 C72 H72A 109.5 . .
C71 C72 H72B 109.5 . .
C71 C72 H72C 109.5 . .
H72A C72 H72B 109.5 . .
H72A C72 H72C 109.5 . .
H72B C72 H72C 109.5 . .
C71 C73 H73A 109.5 . .
C71 C73 H73B 109.5 . .
C71 C73 H73C 109.5 . .
H73A C73 H73B 109.5 . .
H73A C73 H73C 109.5 . .
H73B C73 H73C 109.5 . .
Si3 C81 H81 108.1 . .
C82 C81 Si3 111.5(10) . .
C82 C81 H81 108.1 . .
C82 C81 C83 108.0(13) . .
C83 C81 Si3 113.0(12) . .
C83 C81 H81 108.1 . .
Si3 C91 H91 106.6 . .
C92 C91 Si3 114.1(5) . .
C92 C91 H91 106.6 . .
C93 C91 Si3 111.0(5) . .
C93 C91 H91 106.6 . .
C93 C91 C92 111.5(7) . .
C91 C92 H92A 109.5 . .
C91 C92 H92B 109.5 . .
C91 C92 H92C 109.5 . .
H92A C92 H92B 109.5 . .
H92A C92 H92C 109.5 . .
H92B C92 H92C 109.5 . .
C91 C93 H93A 109.5 . .
C91 C93 H93B 109.5 . .
C91 C93 H93C 109.5 . .
H93A C93 H93B 109.5 . .
H93A C93 H93C 109.5 . .
H93B C93 H93C 109.5 . .
C101 Si4 C8 103.8(2) . .
C101 Si4 C111 109.9(3) . .
C111 Si4 C8 107.0(3) . .
C121 Si4 C8 108.6(2) . .
C121 Si4 C101 117.8(3) . .
C121 Si4 C111 109.1(3) . .
Ag4 C7 Ag1 117.90(18) . 7_656
Ag4 C7 Ag6 120.06(18) . .
Ag5 C7 Ag1 85.30(14) . 7_656
Ag5 C7 Ag4 82.30(15) . .
Ag5 C7 Ag6 81.32(15) . .
Ag6 C7 Ag1 117.58(18) . 7_656
C8 C7 Ag1 97.9(3) . 7_656
C8 C7 Ag4 82.3(3) . .
C8 C7 Ag5 163.9(4) . .
C8 C7 Ag6 110.5(3) . .
Si4 C8 Ag4 116.0(2) . .
C7 C8 Ag4 68.0(3) . .
C7 C8 Si4 174.6(4) . .
Si4 C101 H101 105.6 . .
C102 C101 Si4 116.2(4) . .
C102 C101 H101 105.6 . .
C102 C101 C103 109.1(6) . .
C103 C101 Si4 113.7(5) . .
C103 C101 H101 105.6 . .
C101 C102 H10A 109.5 . .
C101 C102 H10B 109.5 . .
C101 C102 H10C 109.5 . .
H10A C102 H10B 109.5 . .
H10A C102 H10C 109.5 . .
H10B C102 H10C 109.5 . .
C101 C103 H10D 109.5 . .
C101 C103 H10E 109.5 . .
C101 C103 H10F 109.5 . .
H10D C103 H10E 109.5 . .
H10D C103 H10F 109.5 . .
H10E C103 H10F 109.5 . .
Si4 C111 H111 106.3 . .
C112 C111 Si4 113.2(4) . .
C112 C111 H111 106.3 . .
C112 C111 C113 110.6(7) . .
C113 C111 Si4 113.6(5) . .
C113 C111 H111 106.3 . .
C111 C112 H11A 109.5 . .
C111 C112 H11B 109.5 . .
C111 C112 H11C 109.5 . .
H11A C112 H11B 109.5 . .
H11A C112 H11C 109.5 . .
H11B C112 H11C 109.5 . .
C111 C113 H11D 109.5 . .
C111 C113 H11E 109.5 . .
C111 C113 H11F 109.5 . .
H11D C113 H11E 109.5 . .
H11D C113 H11F 109.5 . .
H11E C113 H11F 109.5 . .
Si4 C121 H121 105.8 . .
C122 C121 Si4 117.2(5) . .
C122 C121 H121 105.8 . .
C122 C121 C123 109.1(7) . .
C123 C121 Si4 112.1(5) . .
C123 C121 H121 105.8 . .
C121 C122 H12D 109.5 . .
C121 C122 H12E 109.5 . .
C121 C122 H12F 109.5 . .
H12D C122 H12E 109.5 . .
H12D C122 H12F 109.5 . .
H12E C122 H12F 109.5 . .
C121 C123 H12G 109.5 . .
C121 C123 H12H 109.5 . .
C121 C123 H12I 109.5 . .
H12G C123 H12H 109.5 . .
H12G C123 H12I 109.5 . .
H12H C123 H12I 109.5 . .
O1 C1L C2L 117.9(5) . .
O2 C1L C2L 115.8(5) . .
O2 C1L O1 126.3(5) . .
C3L C2L C1L 120.3(5) . .
N1 C2L C1L 117.5(4) . .
N1 C2L C3L 122.2(5) . .
C2L C3L H3L 120.4 . .
C4L C3L C2L 119.1(7) . .
C4L C3L H3L 120.4 . .
C3L C4L H4L 120.5 . .
C5L C4L C3L 119.0(6) . .
C5L C4L H4L 120.5 . .
C4L C5L H5L 120.4 . .
C4L C5L C6L 119.2(6) . .
C6L C5L H5L 120.4 . .
C5L C6L H6L 118.3 . .
N1 C6L C5L 123.3(6) . .
N1 C6L H6L 118.3 . .
O3 C7L C8L 115.2(4) . .
O4 C7L C8L 119.7(4) . .
O4 C7L O3 125.1(4) . .
C9L C8L C7L 120.2(4) . .
N2 C8L C7L 118.3(4) . .
N2 C8L C9L 121.5(4) . .
C8L C9L H9L 119.9 . .
C10L C9L C8L 120.1(5) . .
C10L C9L H9L 119.9 . .
C9L C10L H10L 120.9 . .
C11L C10L C9L 118.2(5) . .
C11L C10L H10L 120.9 . .
C10L C11L H11L 120.5 . .
C12L C11L C10L 118.9(5) . .
C12L C11L H11L 120.5 . .
C11L C12L H12L 118.4 . .
N2 C12L C11L 123.2(5) . .
N2 C12L H12L 118.4 . .
C2L N1 Ag7 118.3(3) . .
C6L N1 Ag7 124.6(4) . .
C6L N1 C2L 117.1(5) . .
C8L N2 Ag3 116.3(3) . .
C8L N2 C12L 117.9(4) . .
C12L N2 Ag3 125.7(3) . .
C1L O1 Ag7 115.0(3) . .
C1L O2 Ag1 111.0(3) . .
C7L O3 Ag6 113.0(3) . .
C7L O4 Ag3 114.1(3) . .
C81 C82 H82A 109.5 . .
C81 C82 H82B 109.5 . .
C81 C82 H82C 109.5 . .
H82A C82 H82B 109.5 . .
H82A C82 H82C 109.5 . .
H82B C82 H82C 109.5 . .
C81 C83 H83A 109.5 . .
C81 C83 H83B 109.5 . .
C81 C83 H83C 109.5 . .
H83A C83 H83B 109.5 . .
H83A C83 H83C 109.5 . .
H83B C83 H83C 109.5 . .
H82D C82A H82E 109.5 . .
H82D C82A H82F 109.5 . .
H82E C82A H82F 109.5 . .
C81A C82A H82D 109.5 . .
C81A C82A H82E 109.5 . .
C81A C82A H82F 109.5 . .
Si3 C81A H81A 102.6 . .
C82A C81A Si3 119.0(13) . .
C82A C81A H81A 102.6 . .
C82A C81A C83A 113.3(14) . .
C83A C81A Si3 113.7(11) . .
C83A C81A H81A 102.6 . .
C81A C83A H83D 109.5 . .
C81A C83A H83E 109.5 . .
C81A C83A H83F 109.5 . .
H83D C83A H83E 109.5 . .
H83D C83A H83F 109.5 . .
H83E C83A H83F 109.5 . .
O5 Cl2 O8 103.8(12) . .
O6 Cl2 O5 102.7(13) . .
O6 Cl2 O8 101.0(11) . .
O7 Cl2 O5 123.3(15) . .
O7 Cl2 O6 118.1(10) . .
O7 Cl2 O8 105.0(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 Ag2 3.1407(5) .
Ag1 Ag5 3.1478(4) .
Ag1 C1 2.315(5) .
Ag1 C2 2.594(5) .
Ag1 C7 2.514(4) 7_656
Ag1 O2 2.258(4) .
Ag2 Ag3 3.0174(5) .
Ag2 Ag6 3.1200(5) 7_656
Ag2 Ag7 3.0653(5) 7_656
Ag2 C1 2.063(4) .
Ag2 C3 2.066(4) .
Ag3 Ag4 3.0472(5) .
Ag3 C1 2.383(4) .
Ag3 C5 2.320(5) .
Ag3 N2 2.332(4) .
Ag3 O4 2.459(3) .
Ag4 Ag5 2.8980(4) .
Ag4 Ag7 3.0933(5) 7_656
Ag4 C5 2.102(5) .
Ag4 C7 2.288(4) .
Ag4 C8 2.445(4) .
Ag5 Ag6 2.9297(4) .
Ag5 Ag6 2.9296(4) 7_656
Ag5 C7 2.112(4) .
Ag5 C7 2.112(4) 7_656
Ag6 Ag7 3.3008(6) .
Ag6 C3 2.328(4) 7_656
Ag6 C4 2.488(4) 7_656
Ag6 C7 2.374(4) .
Ag6 O3 2.242(3) .
Ag7 C3 2.342(4) 7_656
Ag7 C5 2.385(5) 7_656
Ag7 N1 2.315(4) .
Ag7 O1 2.483(4) .
Si1 C2 1.856(4) .
Si1 C11 1.875(6) .
Si1 C21 1.895(6) .
Si1 C31 1.870(5) .
C1 C2 1.215(6) .
C11 H11 1.0000 .
C11 C12 1.549(7) .
C11 C13 1.541(9) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C21 H21 1.0000 .
C21 C22 1.526(7) .
C21 C23 1.514(8) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C31 H31 1.0000 .
C31 C32 1.539(7) .
C31 C33 1.537(8) .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
Si2 C4 1.867(4) .
Si2 C41 1.880(5) .
Si2 C51 1.877(5) .
Si2 C61 1.880(5) .
C3 C4 1.213(6) .
C41 H41 1.0000 .
C41 C42 1.511(7) .
C41 C43 1.528(8) .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C42 H42C 0.9800 .
C43 H43A 0.9800 .
C43 H43B 0.9800 .
C43 H43C 0.9800 .
C51 H51 1.0000 .
C51 C52 1.519(8) .
C51 C53 1.523(7) .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C53 H53C 0.9800 .
C61 H61 1.0000 .
C61 C62 1.504(8) .
C61 C63 1.530(7) .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 H63C 0.9800 .
Si3 C6 1.865(5) .
Si3 C71 1.853(7) .
Si3 C81 1.873(13) .
Si3 C91 1.871(7) .
Si3 C81A 1.866(13) .
C5 C6 1.201(7) .
C71 H71 1.0000 .
C71 C72 1.559(10) .
C71 C73 1.513(11) .
C72 H72A 0.9800 .
C72 H72B 0.9800 .
C72 H72C 0.9800 .
C73 H73A 0.9800 .
C73 H73B 0.9800 .
C73 H73C 0.9800 .
C81 H81 1.0000 .
C81 C82 1.514(15) .
C81 C83 1.529(14) .
C91 H91 1.0000 .
C91 C92 1.541(10) .
C91 C93 1.521(10) .
C92 H92A 0.9800 .
C92 H92B 0.9800 .
C92 H92C 0.9800 .
C93 H93A 0.9800 .
C93 H93B 0.9800 .
C93 H93C 0.9800 .
Si4 C8 1.877(5) .
Si4 C101 1.871(6) .
Si4 C111 1.873(7) .
Si4 C121 1.869(6) .
C7 C8 1.221(6) .
C101 H101 1.0000 .
C101 C102 1.511(9) .
C101 C103 1.525(8) .
C102 H10A 0.9800 .
C102 H10B 0.9800 .
C102 H10C 0.9800 .
C103 H10D 0.9800 .
C103 H10E 0.9800 .
C103 H10F 0.9800 .
C111 H111 1.0000 .
C111 C112 1.500(10) .
C111 C113 1.506(9) .
C112 H11A 0.9800 .
C112 H11B 0.9800 .
C112 H11C 0.9800 .
C113 H11D 0.9800 .
C113 H11E 0.9800 .
C113 H11F 0.9800 .
C121 H121 1.0000 .
C121 C122 1.490(10) .
C121 C123 1.531(9) .
C122 H12D 0.9800 .
C122 H12E 0.9800 .
C122 H12F 0.9800 .
C123 H12G 0.9800 .
C123 H12H 0.9800 .
C123 H12I 0.9800 .
C1L C2L 1.528(7) .
C1L O1 1.257(6) .
C1L O2 1.247(6) .
C2L C3L 1.382(8) .
C2L N1 1.344(7) .
C3L H3L 0.9500 .
C3L C4L 1.376(9) .
C4L H4L 0.9500 .
C4L C5L 1.353(10) .
C5L H5L 0.9500 .
C5L C6L 1.373(9) .
C6L H6L 0.9500 .
C6L N1 1.338(7) .
C7L C8L 1.497(6) .
C7L O3 1.253(5) .
C7L O4 1.245(5) .
C8L C9L 1.388(6) .
C8L N2 1.338(6) .
C9L H9L 0.9500 .
C9L C10L 1.377(7) .
C10L H10L 0.9500 .
C10L C11L 1.377(7) .
C11L H11L 0.9500 .
C11L C12L 1.373(7) .
C12L H12L 0.9500 .
C12L N2 1.346(6) .
C82 H82A 0.9800 .
C82 H82B 0.9800 .
C82 H82C 0.9800 .
C83 H83A 0.9800 .
C83 H83B 0.9800 .
C83 H83C 0.9800 .
C82A H82D 0.9800 .
C82A H82E 0.9800 .
C82A H82F 0.9800 .
C82A C81A 1.462(19) .
C81A H81A 1.0000 .
C81A C83A 1.511(16) .
C83A H83D 0.9800 .
C83A H83E 0.9800 .
C83A H83F 0.9800 .
Cl2 O5 1.361(10) .
Cl2 O6 1.360(13) .
Cl2 O7 1.344(12) .
Cl2 O8 1.394(12) .
