#------------------------------------------------------------------------------
#$Date: 2023-12-12 11:56:26 +0200 (Tue, 12 Dec 2023) $
#$Revision: 288243 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/71/7107121.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_7107121
loop_
_publ_author_name
'Mihai Raducan'
'Maria Moreno'
'Christophe Bour'
'Antonio M. Echavarren'
_publ_section_title
;
 Phosphate ligands in the gold(I)-catalysed activation of enynes
;
_journal_name_full               Chem.Commun.
_journal_page_first              52
_journal_paper_doi               10.1039/c1cc15739f
_journal_volume                  48
_journal_year                    2012
_chemical_absolute_configuration ad
_chemical_formula_sum            'C59.6 H47.99 Ag Cl2.39 O4.84 P Si2'
_chemical_formula_weight         1121.30
_space_group_IT_number           18
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_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            4
_cell_length_a                   20.2597(6)
_cell_length_b                   16.3556(5)
_cell_length_c                   17.3458(5)
_cell_measurement_reflns_used    9845
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.75
_cell_measurement_theta_min      2.35
_cell_volume                     5747.7(3)
_computing_cell_refinement       'Bruker APEX2 v2009.1-0'
_computing_data_collection       'Bruker APEX2 v2009.1-0'
_computing_data_reduction        'Bruker SAINT V7.60A'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 512
_diffrn_detector_type            '4K CCD area detector APEX II'
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Kappa 4-axis goniometer bruker-nonius'
_diffrn_measurement_method
;
Fullsphere data collection, phi and omega scans
;
_diffrn_measurement_specimen_support
'magnetic support whith 10 micron nylon fiber cryoloop'
_diffrn_radiation_monochromator  'Multilayer Montel 200 mirrors'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0592
_diffrn_reflns_av_sigmaI/netI    0.0594
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            116988
_diffrn_reflns_theta_full        36.51
_diffrn_reflns_theta_max         36.51
_diffrn_reflns_theta_min         1.17
_diffrn_source                   'rotating anode X-ray tube'
_diffrn_source_current           70
_diffrn_source_power             50
_diffrn_source_size              '3 mm x 0.3 mm fine focus'
_diffrn_source_type              'Bruker-Nonius FR 591'
_exptl_absorpt_coefficient_mu    0.576
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.92
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS Version 2008/1 Bruker-Nonius
Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.296
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2300
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.835
_refine_diff_density_min         -0.881
_refine_diff_density_rms         0.161
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.06(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     684
_refine_ls_number_reflns         26827
_refine_ls_number_restraints     216
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.1174
_refine_ls_R_factor_gt           0.0692
_refine_ls_shift/su_max          0.021
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1362P)²+2.8289P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1898
_refine_ls_wR_factor_ref         0.2312
_reflns_number_gt                17149
_reflns_number_total             26827
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1cc15739f.txt
_cod_data_source_block           dsd77ap21212
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '_diffrn_measurement_specimen_suppport' was replaced with
'_diffrn_measurement_specimen_support' as specified in the
replacement file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_original_sg_symbol_H-M      P2(1)2(1)2
_cod_original_formula_sum        'C59.60 H47.99 Ag Cl2.39 O4.84 P Si2'
_cod_database_code               7107121
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.5000 1.0000 0.151973(14) 0.03273(5) Uani 1 2 d S . .
Ag2 Ag 0.5000 1.0000 0.329117(14) 0.03302(5) Uani 1 2 d S . .
C1 C 0.35236(16) 1.1247(2) 0.0966(2) 0.0508(7) Uani 1 1 d U . .
C2 C 0.35767(16) 1.0761(2) 0.0296(2) 0.0509(8) Uani 1 1 d U . .
H2 H 0.3192 1.0518 0.0083 0.061 Uiso 1 1 calc R . .
C3 C 0.41965(19) 1.0632(3) -0.0066(2) 0.0606(10) Uani 1 1 d U . .
H3 H 0.4233 1.0287 -0.0504 0.073 Uiso 1 1 calc R . .
C4 C 0.4740(2) 1.1016(3) 0.0233(3) 0.0651(10) Uani 1 1 d U . .
H4 H 0.5155 1.0943 -0.0014 0.078 Uiso 1 1 calc R . .
C5 C 0.47076(18) 1.1500(2) 0.0869(3) 0.0574(9) Uani 1 1 d U . .
H5 H 0.5093 1.1765 0.1056 0.069 Uiso 1 1 calc R . .
C6 C 0.40744(18) 1.1612(2) 0.1269(3) 0.0597(9) Uani 1 1 d U . .
H6 H 0.4048 1.1930 0.1727 0.072 Uiso 1 1 calc R . .
C7 C 0.2668(2) 1.18808(19) 0.2358(2) 0.0559(9) Uani 1 1 d . . .
C8 C 0.2390(3) 1.1595(4) 0.3039(3) 0.0563(14) Uani 0.686(3) 1 d PU A 1
H8 H 0.2126 1.1116 0.3038 0.068 Uiso 0.686(3) 1 calc PR A 1
C9 C 0.2499(3) 1.2005(4) 0.3699(3) 0.0527(13) Uani 0.686(3) 1 d PU A 1
H9 H 0.2371 1.1761 0.4173 0.063 Uiso 0.686(3) 1 calc PR A 1
C10 C 0.2786(4) 1.2757(4) 0.3712(4) 0.0645(16) Uani 0.686(3) 1 d PU A 1
H10 H 0.2825 1.3045 0.4185 0.077 Uiso 0.686(3) 1 calc PR A 1
C11 C 0.3021(4) 1.3105(3) 0.3036(4) 0.0609(15) Uani 0.686(3) 1 d PU A 1
H11 H 0.3207 1.3638 0.3040 0.073 Uiso 0.686(3) 1 calc PR A 1
C12 C 0.2982(3) 1.2660(3) 0.2350(3) 0.0477(11) Uani 0.686(3) 1 d PU A 1
H12 H 0.3160 1.2875 0.1885 0.057 Uiso 0.686(3) 1 calc PR A 1
C8' C 0.2508(5) 1.1481(5) 0.3029(6) 0.0293(17) Uani 0.314(3) 1 d PU A 2
H8' H 0.2558 1.0904 0.3042 0.035 Uiso 0.314(3) 1 calc PR A 2
C9' C 0.2248(9) 1.1919(10) 0.3781(9) 0.071(4) Uani 0.314(3) 1 d PU A 2
H9' H 0.1976 1.1658 0.4153 0.085 Uiso 0.314(3) 1 calc PR A 2
C10' C 0.2454(9) 1.2715(8) 0.3840(8) 0.087(4) Uani 0.314(3) 1 d PU A 2
H10' H 0.2453 1.2971 0.4332 0.104 Uiso 0.314(3) 1 calc PR A 2
C11' C 0.2644(12) 1.3114(9) 0.3267(13) 0.107(5) Uani 0.314(3) 1 d PU A 2
H11' H 0.2847 1.3636 0.3306 0.128 Uiso 0.314(3) 1 calc PR A 2
C12' C 0.2536(13) 1.2737(9) 0.2587(11) 0.107(6) Uani 0.314(3) 1 d PU A 2
H12' H 0.2345 1.3070 0.2198 0.129 Uiso 0.314(3) 1 calc PR A 2
C13 C 0.21649(14) 1.20565(18) 0.07547(16) 0.0359(6) Uani 1 1 d U . .
C14 C 0.15157(17) 1.2268(2) 0.09444(19) 0.0487(7) Uani 1 1 d U A .
H14 H 0.1315 1.2018 0.1380 0.058 Uiso 1 1 calc R . .
C15 C 0.11487(19) 1.2839(2) 0.0512(2) 0.0573(9) Uani 1 1 d U . .
H15 H 0.0709 1.2973 0.0653 0.069 Uiso 1 1 calc R A .
C16 C 0.14438(17) 1.3200(2) -0.0123(2) 0.0511(8) Uani 1 1 d U A .
H16 H 0.1207 1.3592 -0.0418 0.061 Uiso 1 1 calc R . .
C17 C 0.20755(17) 1.2994(2) -0.0327(2) 0.0592(8) Uani 1 1 d U . .
H17 H 0.2271 1.3243 -0.0766 0.071 Uiso 1 1 calc R A .
C18 C 0.24376(15) 1.2426(2) 0.00981(18) 0.0502(8) Uani 1 1 d U A .
H18 H 0.2873 1.2287 -0.0059 0.060 Uiso 1 1 calc R . .
C19 C 0.22619(11) 1.03250(15) 0.14251(13) 0.0263(4) Uani 1 1 d . . .
C20 C 0.17753(12) 1.01053(18) 0.09071(12) 0.0315(5) Uani 1 1 d . A .
H20 H 0.1637 1.0494 0.0533 0.038 Uiso 1 1 calc R . .
C21 C 0.14745(13) 0.93262(17) 0.09112(14) 0.0309(5) Uani 1 1 d . . .
C22 C 0.10237(16) 0.9084(2) 0.03275(17) 0.0415(7) Uani 1 1 d . A .
H22 H 0.0915 0.9456 -0.0074 0.050 Uiso 1 1 calc R . .
C23 C 0.07448(16) 0.8324(2) 0.03350(19) 0.0451(7) Uani 1 1 d . . .
H23 H 0.0444 0.8171 -0.0060 0.054 Uiso 1 1 calc R A .
C24 C 0.09006(15) 0.7765(2) 0.09253(17) 0.0408(6) Uani 1 1 d . A .
H24 H 0.0710 0.7234 0.0925 0.049 Uiso 1 1 calc R . .
C25 C 0.13333(14) 0.79918(16) 0.15074(16) 0.0338(5) Uani 1 1 d . . .
H25 H 0.1432 0.7616 0.1909 0.041 Uiso 1 1 calc R A .
C26 C 0.16295(12) 0.87731(15) 0.15111(13) 0.0282(5) Uani 1 1 d . A .
C27 C 0.21142(11) 0.89956(14) 0.20761(12) 0.0243(4) Uani 1 1 d . . .
C28 C 0.24449(11) 0.97236(14) 0.19769(12) 0.0239(4) Uani 1 1 d . A .
C29 C 0.22741(12) 0.84497(14) 0.27300(13) 0.0269(5) Uani 1 1 d . A .
C30 C 0.17782(13) 0.82061(16) 0.32717(14) 0.0306(5) Uani 1 1 d . . .
C31 C 0.11331(14) 0.85138(17) 0.32635(15) 0.0335(5) Uani 1 1 d . A .
H31 H 0.1010 0.8897 0.2877 0.040 Uiso 1 1 calc R . .
C32 C 0.06749(15) 0.8275(2) 0.38005(18) 0.0421(7) Uani 1 1 d . . .
H32 H 0.0242 0.8498 0.3788 0.050 Uiso 1 1 calc R A .
C33 C 0.08460(18) 0.7701(2) 0.43692(18) 0.0454(7) Uani 1 1 d . A .
H33 H 0.0526 0.7534 0.4738 0.054 Uiso 1 1 calc R . .
C34 C 0.14627(18) 0.7383(2) 0.43959(18) 0.0466(8) Uani 1 1 d . . .
H34 H 0.1567 0.6992 0.4782 0.056 Uiso 1 1 calc R A .
C35 C 0.19600(15) 0.76225(17) 0.38591(15) 0.0358(6) Uani 1 1 d . A .
C36 C 0.26104(16) 0.73007(18) 0.38807(16) 0.0379(6) Uani 1 1 d . . .
H36 H 0.2714 0.6885 0.4244 0.046 Uiso 1 1 calc R A .
C37 C 0.30885(14) 0.75717(15) 0.33963(15) 0.0318(5) Uani 1 1 d . A .
C38 C 0.29149(12) 0.81763(14) 0.28446(13) 0.0262(4) Uani 1 1 d . . .
C39 C 0.41791(10) 0.67608(11) 0.23455(12) 0.0313(11) Uani 0.50 1 d PG A 1
C40 C 0.37198(11) 0.67506(16) 0.17502(14) 0.0410(14) Uani 0.50 1 d PG A 1
H40A H 0.3292 0.6973 0.1829 0.049 Uiso 0.50 1 calc PR A 1
C41 C 0.38868(16) 0.6415(2) 0.10402(13) 0.0444(15) Uani 0.50 1 d PG A 1
H41A H 0.3573 0.6408 0.0633 0.053 Uiso 0.50 1 calc PR A 1
C42 C 0.45130(18) 0.6090(2) 0.09254(16) 0.0736(19) Uani 0.50 1 d PG A 1
H42A H 0.4627 0.5861 0.0440 0.088 Uiso 0.50 1 calc PR A 1
C43 C 0.49722(14) 0.6100(2) 0.1521(2) 0.0541(14) Uani 0.50 1 d PG A 1
H43A H 0.5400 0.5878 0.1442 0.065 Uiso 0.50 1 calc PR A 1
C44 C 0.48053(11) 0.64356(17) 0.22307(17) 0.0417(14) Uani 0.50 1 d PG A 1
H44A H 0.5119 0.6443 0.2638 0.050 Uiso 0.50 1 calc PR A 1
C39' C 0.41994(11) 0.66394(12) 0.25559(12) 0.0394(13) Uani 0.50 1 d PG A 2
C40' C 0.38310(11) 0.67091(14) 0.18830(13) 0.0368(13) Uani 0.50 1 d PG A 2
H40B H 0.3430 0.7010 0.1884 0.044 Uiso 0.50 1 calc PR A 2
C41' C 0.40497(15) 0.63390(17) 0.12084(13) 0.051(2) Uani 0.50 1 d PG A 2
H41B H 0.3798 0.6387 0.0749 0.062 Uiso 0.50 1 calc PR A 2
C42' C 0.46368(17) 0.5899(2) 0.12066(18) 0.084(3) Uani 0.50 1 d PG A 2
H42B H 0.4786 0.5646 0.0745 0.101 Uiso 0.50 1 calc PR A 2
C43' C 0.50052(15) 0.5830(2) 0.1879(2) 0.100(4) Uani 0.50 1 d PG A 2
H43B H 0.5407 0.5529 0.1878 0.121 Uiso 0.50 1 calc PR A 2
C44' C 0.47865(13) 0.61997(18) 0.25541(18) 0.102(3) Uani 0.50 1 d PG A 2
H44B H 0.5038 0.6152 0.3014 0.123 Uiso 0.50 1 calc PR A 2
C45 C 0.45624(16) 0.78667(18) 0.37958(19) 0.0424(7) Uani 1 1 d . A .
C46 C 0.51814(18) 0.7988(2) 0.3458(3) 0.0533(9) Uani 1 1 d . . .
H46 H 0.5301 0.7685 0.3012 0.064 Uiso 1 1 calc R . .
C47 C 0.56262(18) 0.8553(2) 0.3774(3) 0.0569(10) Uani 1 1 d . . .
H47 H 0.6044 0.8638 0.3538 0.068 Uiso 1 1 calc R . .
C48 C 0.5461(2) 0.8977(2) 0.4413(2) 0.0651(10) Uani 1 1 d . . .
H48 H 0.5765 0.9359 0.4622 0.078 Uiso 1 1 calc R . .
C49 C 0.4865(2) 0.8868(2) 0.4765(2) 0.0566(9) Uani 1 1 d . . .
H49 H 0.4758 0.9170 0.5216 0.068 Uiso 1 1 calc R . .
C50 C 0.4412(2) 0.8308(2) 0.44598(19) 0.0480(8) Uani 1 1 d . . .
H50 H 0.3999 0.8229 0.4708 0.058 Uiso 1 1 calc R . .
C51 C 0.39106(19) 0.62407(18) 0.4166(2) 0.0839(8) Uani 0.686(3) 1 d PGU A 1
C52 C 0.3984(2) 0.6340(2) 0.4957(2) 0.0839(8) Uani 0.686(3) 1 d PGU A 1
H52A H 0.4066 0.6868 0.5165 0.101 Uiso 0.686(3) 1 calc PR A 1
C53 C 0.3936(3) 0.5668(3) 0.5444(2) 0.0839(8) Uani 0.686(3) 1 d PGU A 1
H53A H 0.3986 0.5736 0.5985 0.101 Uiso 0.686(3) 1 calc PR A 1
C54 C 0.3816(3) 0.4896(2) 0.5140(3) 0.0839(8) Uani 0.686(3) 1 d PGU A 1
H54A H 0.3783 0.4437 0.5473 0.101 Uiso 0.686(3) 1 calc PR A 1
C55 C 0.3743(3) 0.47964(18) 0.4349(3) 0.0839(8) Uani 0.686(3) 1 d PGU A 1
H55A H 0.3660 0.4269 0.4141 0.101 Uiso 0.686(3) 1 calc PR A 1
C56 C 0.3790(2) 0.5469(2) 0.3862(2) 0.0839(8) Uani 0.686(3) 1 d PGU A 1
H56A H 0.3740 0.5401 0.3321 0.101 Uiso 0.686(3) 1 calc PR A 1
C51' C 0.4000(2) 0.6129(2) 0.3922(2) 0.0849(13) Uani 0.314(3) 1 d PGU A 2
C52' C 0.44402(18) 0.6019(2) 0.4528(3) 0.0849(13) Uani 0.314(3) 1 d PGU A 2
H52B H 0.4670 0.6475 0.4736 0.102 Uiso 0.314(3) 1 calc PR A 2
C53' C 0.4544(2) 0.5243(3) 0.4830(3) 0.0849(13) Uani 0.314(3) 1 d PGU . 2
H53B H 0.4845 0.5168 0.5244 0.102 Uiso 0.314(3) 1 calc PR A 2
C54' C 0.4208(3) 0.4576(2) 0.4526(3) 0.0849(13) Uani 0.314(3) 1 d PGU A 2
H54B H 0.4279 0.4045 0.4732 0.102 Uiso 0.314(3) 1 calc PR A 2
C55' C 0.3768(3) 0.4685(2) 0.3920(3) 0.0849(13) Uani 0.314(3) 1 d PGU A 2
H55B H 0.3538 0.4230 0.3712 0.102 Uiso 0.314(3) 1 calc PR A 2
C56' C 0.3664(3) 0.5462(2) 0.3618(2) 0.0849(13) Uani 0.314(3) 1 d PGU A 2
H56B H 0.3363 0.5537 0.3204 0.102 Uiso 0.314(3) 1 calc PR A 2
O1 O 0.29705(7) 0.99067(9) 0.24602(8) 0.0235(3) Uani 1 1 d . . .
O2 O 0.34133(9) 0.84630(10) 0.23604(10) 0.0270(3) Uani 1 1 d . A .
O3 O 0.39993(9) 0.95384(11) 0.16656(10) 0.0296(4) Uani 1 1 d . . .
O4 O 0.39833(9) 0.95700(11) 0.31507(10) 0.0292(4) Uani 1 1 d . . .
P1 P 0.36518(3) 0.93976(3) 0.24072(3) 0.02382(10) Uani 1 1 d . A .
Si1 Si 0.26573(4) 1.13665(5) 0.14007(4) 0.03379(15) Uani 1 1 d . A .
Si2 Si 0.39530(4) 0.71110(5) 0.34140(5) 0.03906(18) Uani 1 1 d . . .
C1D C 0.5000 0.5000 0.8144(4) 0.208(6) Uani 1 2 d S . .
H1D1 H 0.4724 0.4651 0.8481 0.250 Uiso 0.50 1 calc PR . .
H1D2 H 0.5276 0.5349 0.8481 0.250 Uiso 0.50 1 calc PR . .
Cl1D Cl 0.44817(9) 0.56283(10) 0.76101(10) 0.1101(5) Uani 1 1 d . . .
C1L C 0.4794(2) 0.7982(3) 0.7392(4) 0.111(4) Uani 0.516(3) 1 d PD B 1
H1L1 H 0.5175 0.7979 0.7034 0.134 Uiso 0.516(3) 1 calc PR B 1
H1L2 H 0.4849 0.7511 0.7745 0.134 Uiso 0.516(3) 1 calc PR B 1
Cl1L Cl 0.41286(12) 0.78361(19) 0.68906(15) 0.0837(8) Uani 0.516(3) 1 d PD B 1
Cl2L Cl 0.48352(13) 0.89180(13) 0.79651(13) 0.1171(14) Uani 0.516(3) 1 d PD B 1
C1H C 0.16842(13) 0.47870(13) 0.42424(13) 0.093(2) Uani 0.30 1 d PRD B 3
H1HA H 0.1293 0.4663 0.4554 0.140 Uiso 0.30 1 calc PR B 3
H1HB H 0.1984 0.5137 0.4538 0.140 Uiso 0.30 1 calc PR B 3
H1HC H 0.1910 0.4277 0.4107 0.140 Uiso 0.30 1 calc PR B 3
C2H C 0.14711(13) 0.52348(13) 0.34982(13) 0.093(2) Uani 0.30 1 d PRD B 3
H2HA H 0.1135 0.4843 0.3311 0.112 Uiso 0.30 1 calc PR B 3
H2HB H 0.1208 0.5681 0.3731 0.112 Uiso 0.30 1 calc PR B 3
C3H C 0.16513(13) 0.56469(13) 0.27248(13) 0.093(2) Uani 0.30 1 d PRD B 3
H3HA H 0.1201 0.5731 0.2519 0.112 Uiso 0.30 1 calc PR B 3
H3HB H 0.1779 0.6193 0.2922 0.112 Uiso 0.30 1 calc PR B 3
C4H C 0.20365(13) 0.56580(13) 0.19585(13) 0.093(2) Uani 0.30 1 d PRD B 3
H4HA H 0.1795 0.6010 0.1589 0.112 Uiso 0.30 1 calc PR B 3
H4HB H 0.2472 0.5914 0.2052 0.112 Uiso 0.30 1 calc PR B 3
C5H C 0.21496(13) 0.48186(13) 0.15779(13) 0.093(2) Uani 0.30 1 d PRD B 3
H5HA H 0.1949 0.4375 0.1888 0.112 Uiso 0.30 1 calc PR B 3
H5HB H 0.1961 0.4804 0.1052 0.112 Uiso 0.30 1 calc PR B 3
C6H C 0.29059(13) 0.47374(13) 0.15552(13) 0.093(2) Uani 0.30 1 d PRD B 3
H6HA H 0.3026 0.4214 0.1319 0.140 Uiso 0.30 1 calc PR B 3
H6HB H 0.3081 0.4760 0.2081 0.140 Uiso 0.30 1 calc PR B 3
H6HC H 0.3093 0.5186 0.1251 0.140 Uiso 0.30 1 calc PR B 3
C1H' C 0.21891(13) 0.54587(13) 0.54742(13) 0.036(2) Uani 0.10 1 d PRD B 4
H1HD H 0.2305 0.5085 0.5895 0.055 Uiso 0.10 1 calc PR B 4
H1HE H 0.1819 0.5806 0.5634 0.055 Uiso 0.10 1 calc PR B 4
H1HF H 0.2571 0.5802 0.5350 0.055 Uiso 0.10 1 calc PR B 4
C2H' C 0.19864(13) 0.49542(13) 0.47490(13) 0.036(2) Uani 0.10 1 d PRD B 4
H2HC H 0.2373 0.4591 0.4683 0.044 Uiso 0.10 1 calc PR B 4
H2HD H 0.1637 0.4595 0.4961 0.044 Uiso 0.10 1 calc PR B 4
C3H' C 0.17515(13) 0.50669(13) 0.39003(13) 0.036(2) Uani 0.10 1 d PRD B 4
H3HC H 0.1399 0.4649 0.3878 0.044 Uiso 0.10 1 calc PR B 4
H3HD H 0.1511 0.5591 0.3947 0.044 Uiso 0.10 1 calc PR B 4
C4H' C 0.19497(13) 0.51012(13) 0.30440(13) 0.036(2) Uani 0.10 1 d PRD B 4
H4HC H 0.2422 0.5256 0.3018 0.044 Uiso 0.10 1 calc PR B 4
H4HD H 0.1912 0.4541 0.2832 0.044 Uiso 0.10 1 calc PR B 4
C5H' C 0.15653(13) 0.56786(13) 0.25079(13) 0.036(2) Uani 0.10 1 d PRD B 4
H5HC H 0.1391 0.6155 0.2796 0.044 Uiso 0.10 1 calc PR B 4
H5HD H 0.1193 0.5390 0.2257 0.044 Uiso 0.10 1 calc PR B 4
C6H' C 0.20831(13) 0.59473(13) 0.19094(13) 0.036(2) Uani 0.10 1 d PRD B 4
H6HD H 0.1879 0.6322 0.1539 0.055 Uiso 0.10 1 calc PR B 4
H6HE H 0.2252 0.5466 0.1637 0.055 Uiso 0.10 1 calc PR B 4
H6HF H 0.2448 0.6225 0.2172 0.055 Uiso 0.10 1 calc PR B 4
C1E C 0.21215(13) 0.52654(13) 0.52918(13) 0.1182(17) Uani 0.18 1 d PRD B 2
H1EA H 0.1822 0.5171 0.5734 0.142 Uiso 0.18 1 calc PR B 2
H1EB H 0.2120 0.5860 0.5186 0.142 Uiso 0.18 1 calc PR B 2
Cl1E Cl 0.18077(13) 0.48058(13) 0.45457(13) 0.1182(17) Uani 0.18 1 d PRD B 2
Cl2E Cl 0.29593(13) 0.49793(13) 0.55927(13) 0.1182(17) Uani 0.18 1 d PRD B 2
O1W O 0.27090(13) 0.46174(13) 0.12055(13) 0.071(2) Uani 0.42 1 d PR B 1
O2W O 0.21567(13) 0.45821(13) 0.54783(13) 0.103(3) Uani 0.42 1 d PR 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'
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'
P P 0.1023 0.0942 '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'
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 Ag1 O3 166.66(9) 2_675 .
O3 Ag1 Ag2 83.33(4) 2_675 .
O3 Ag1 Ag2 83.33(4) . .
O4 Ag2 O4 167.23(9) . 2_675
O4 Ag2 Ag1 83.61(4) . .
O4 Ag2 Ag1 83.61(4) 2_675 .
C6 C1 C2 119.9(3) . .
C6 C1 Si1 123.3(3) . .
C2 C1 Si1 116.8(2) . .
C1 C2 C3 121.0(3) . .
C4 C3 C2 118.4(4) . .
C5 C4 C3 122.3(4) . .
C4 C5 C6 119.9(4) . .
C1 C6 C5 118.4(4) . .
C8' C7 C8 12.6(5) . .
C8' C7 C12 122.6(5) . .
C8 C7 C12 119.3(4) . .
C8' C7 C12' 100.3(9) . .
C8 C7 C12' 90.9(9) . .
C12 C7 C12' 40.3(10) . .
C8' C7 Si1 122.6(4) . .
C8 C7 Si1 127.0(3) . .
C12 C7 Si1 113.7(3) . .
C12' C7 Si1 131.7(7) . .
C9 C8 C7 119.4(6) . .
C8 C9 C10 122.3(6) . .
C9 C10 C11 120.2(6) . .
C10 C11 C12 119.2(5) . .
C11 C12 C7 118.9(5) . .
C7 C8' C9' 124.3(9) . .
C10' C9' C8' 113.0(14) . .
C11' C10' C9' 122.0(14) . .
C10' C11' C12' 114.0(15) . .
C11' C12' C7 129.7(16) . .
C14 C13 C18 117.1(3) . .
C14 C13 Si1 120.5(2) . .
C18 C13 Si1 122.3(2) . .
C13 C14 C15 122.3(3) . .
C16 C15 C14 118.5(3) . .
C17 C16 C15 120.3(3) . .
C16 C17 C18 121.2(3) . .
C17 C18 C13 120.6(3) . .
C20 C19 C28 116.4(2) . .
C20 C19 Si1 121.63(18) . .
C28 C19 Si1 122.01(17) . .
C19 C20 C21 122.6(2) . .
C20 C21 C26 119.0(2) . .
C20 C21 C22 121.7(2) . .
C26 C21 C22 119.3(3) . .
C23 C22 C21 120.9(3) . .
C22 C23 C24 120.3(3) . .
C25 C24 C23 119.8(3) . .
C24 C25 C26 120.9(3) . .
C25 C26 C21 118.8(2) . .
C25 C26 C27 121.6(2) . .
C21 C26 C27 119.5(2) . .
C28 C27 C26 117.9(2) . .
C28 C27 C29 120.7(2) . .
C26 C27 C29 121.4(2) . .
C27 C28 O1 118.98(18) . .
C27 C28 C19 123.7(2) . .
O1 C28 C19 117.22(19) . .
C38 C29 C30 118.2(2) . .
C38 C29 C27 120.6(2) . .
C30 C29 C27 121.1(2) . .
C31 C30 C29 123.2(2) . .
C31 C30 C35 118.9(2) . .
C29 C30 C35 117.9(2) . .
C32 C31 C30 121.5(3) . .
C31 C32 C33 120.0(3) . .
C34 C33 C32 120.5(3) . .
C33 C34 C35 121.6(3) . .
C36 C35 C34 122.5(3) . .
C36 C35 C30 120.0(2) . .
C34 C35 C30 117.5(3) . .
C37 C36 C35 121.7(2) . .
C36 C37 C38 117.9(3) . .
C36 C37 Si2 121.1(2) . .
C38 C37 Si2 120.9(2) . .
C29 C38 O2 118.9(2) . .
C29 C38 C37 123.5(2) . .
O2 C38 C37 117.4(2) . .
C40 C39 C44 120.0 . .
C40 C39 Si2 122.71(11) . .
C44 C39 Si2 116.93(11) . .
C41 C40 C39 120.0 . .
C40 C41 C42 120.0 . .
C43 C42 C41 120.0 . .
C42 C43 C44 120.0 . .
C43 C44 C39 120.0 . .
C40' C39' C44' 120.0 . .
C40' C39' Si2 121.68(13) . .
C44' C39' Si2 118.31(13) . .
C39' C40' C41' 120.0 . .
C42' C41' C40' 120.0 . .
C43' C42' C41' 120.0 . .
C44' C43' C42' 120.0 . .
C43' C44' C39' 120.0 . .
C50 C45 C46 118.0(3) . .
C50 C45 Si2 119.5(3) . .
C46 C45 Si2 122.5(3) . .
C45 C46 C47 120.4(4) . .
C48 C47 C46 119.9(4) . .
C47 C48 C49 121.4(3) . .
C48 C49 C50 119.7(3) . .
C45 C50 C49 120.6(4) . .
C52 C51 C56 120.0 . .
C52 C51 Si2 125.13(17) . .
C56 C51 Si2 114.87(17) . .
C51 C52 C53 120.0 . .
C54 C53 C52 120.0 . .
C55 C54 C53 120.0 . .
C54 C55 C56 120.0 . .
C55 C56 C51 120.0 . .
C52' C51' C56' 120.0 . .
C52' C51' Si2 120.6(2) . .
C56' C51' Si2 118.7(2) . .
C51' C52' C53' 120.0 . .
C54' C53' C52' 120.0 . .
C54' C53' C53' 98.0(5) . 2_665
C52' C53' C53' 120.0(5) . 2_665
C55' C54' C53' 120.0 . .
C56' C55' C54' 120.0 . .
C55' C56' C51' 120.0 . .
C28 O1 P1 120.68(14) . .
C38 O2 P1 120.51(15) . .
P1 O3 Ag1 126.57(10) . .
P1 O4 Ag2 125.76(11) . .
O4 P1 O3 120.66(10) . .
O4 P1 O2 111.22(10) . .
O3 P1 O2 104.28(10) . .
O4 P1 O1 103.88(9) . .
O3 P1 O1 112.01(9) . .
O2 P1 O1 103.69(9) . .
C7 Si1 C13 105.48(14) . .
C7 Si1 C19 113.20(14) . .
C13 Si1 C19 109.33(12) . .
C7 Si1 C1 112.66(18) . .
C13 Si1 C1 108.23(13) . .
C19 Si1 C1 107.79(13) . .
C39' Si2 C51' 90.47(14) . .
C39' Si2 C45 113.87(14) . .
C51' Si2 C45 112.00(16) . .
C39' Si2 C37 115.00(12) . .
C51' Si2 C37 113.66(16) . .
C45 Si2 C37 110.57(13) . .
C39' Si2 C51 105.21(13) . .
C51' Si2 C51 14.8 . .
C45 Si2 C51 106.11(15) . .
C37 Si2 C51 105.14(15) . .
C39' Si2 C39 10.4 . .
C51' Si2 C39 100.57(13) . .
C45 Si2 C39 111.58(13) . .
C37 Si2 C39 108.03(11) . .
C51 Si2 C39 115.23(13) . .
Cl1D C1D Cl1D 115.6(4) . 2_665
Cl1L C1L Cl2L 116.9(3) . .
C3H C2H C1H 150.0 . .
C4H C3H C2H 150.9 . .
C5H C4H C3H 115.7 . .
C6H C5H C4H 103.7 . .
C3H' C2H' C1H' 141.3 . .
C4H' C3H' C2H' 146.7 . .
C5H' C4H' C3H' 118.3 . .
C4H' C5H' C6H' 103.8 . .
Cl1E C1E Cl2E 118.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 O3 2.1780(18) 2_675
Ag1 O3 2.1780(18) .
Ag1 Ag2 3.0727(3) .
Ag2 O4 2.1901(18) .
Ag2 O4 2.1901(18) 2_675
C1 C6 1.370(5) .
C1 C2 1.412(5) .
C1 Si1 1.920(4) .
C2 C3 1.419(5) .
C3 C4 1.370(6) .
C4 C5 1.360(7) .
C5 C6 1.470(6) .
C7 C8' 1.375(10) .
C7 C8 1.390(7) .
C7 C12 1.424(6) .
C7 C12' 1.481(17) .
C7 Si1 1.861(4) .
C8 C9 1.345(8) .
C9 C10 1.361(9) .
C10 C11 1.387(9) .
C11 C12 1.397(8) .
C8' C9' 1.578(17) .
C9' C10' 1.37(2) .
C10' C11' 1.25(3) .
C11' C12' 1.35(3) .
C13 C14 1.399(4) .
C13 C18 1.402(4) .
C13 Si1 1.877(3) .
C14 C15 1.409(5) .
C15 C16 1.386(5) .
C16 C17 1.370(5) .
C17 C18 1.395(4) .
C19 C20 1.381(3) .
C19 C28 1.422(3) .
C19 Si1 1.883(3) .
C20 C21 1.412(4) .
C21 C26 1.414(3) .
C21 C22 1.420(4) .
C22 C23 1.366(5) .
C23 C24 1.409(5) .
C24 C25 1.388(4) .
C25 C26 1.412(4) .
C26 C27 1.434(3) .
C27 C28 1.377(3) .
C27 C29 1.479(3) .
C28 O1 1.388(3) .
C29 C38 1.387(3) .
C29 C30 1.432(3) .
C30 C31 1.401(4) .
C30 C35 1.444(4) .
C31 C32 1.372(4) .
C32 C33 1.406(5) .
C33 C34 1.354(5) .
C34 C35 1.426(4) .
C35 C36 1.419(5) .
C36 C37 1.357(4) .
C37 C38 1.420(3) .
C37 Si2 1.907(3) .
C38 O2 1.395(3) .
C39 C40 1.3900 .
C39 C44 1.3900 .
C39 Si2 1.993(2) .
C40 C41 1.3900 .
C41 C42 1.3900 .
C42 C43 1.3900 .
C43 C44 1.3900 .
C39' C40' 1.3900 .
C39' C44' 1.3900 .
C39' Si2 1.749(2) .
C40' C41' 1.3900 .
C41' C42' 1.3900 .
C42' C43' 1.3900 .
C43' C44' 1.3900 .
C45 C50 1.393(5) .
C45 C46 1.398(5) .
C45 Si2 1.868(3) .
C46 C47 1.403(5) .
C47 C48 1.349(6) .
C48 C49 1.364(6) .
C49 C50 1.401(5) .
C51 C52 1.3900 .
C51 C56 1.3900 .
C51 Si2 1.933(3) .
C52 C53 1.3900 .
C53 C54 1.3900 .
C54 C55 1.3900 .
C55 C56 1.3900 .
C51' C52' 1.3900 .
C51' C56' 1.3900 .
C51' Si2 1.834(3) .
C52' C53' 1.3900 .
C53' C54' 1.3900 .
C53' C53' 2.010(8) 2_665
C54' C55' 1.3900 .
C55' C56' 1.3900 .
O1 P1 1.6146(16) .
O2 P1 1.6052(17) .
O3 P1 1.4845(18) .
O4 P1 1.4811(18) .
C1D Cl1D 1.737(4) .
C1D Cl1D 1.737(4) 2_665
C1L Cl1L 1.623(4) .
C1L Cl2L 1.827(4) .
C1H C2H 1.5457 .
C2H C3H 1.5451 .
C3H C4H 1.5415 .
C4H C5H 1.5405 .
C5H C6H 1.5385 .
C1H' C2H' 1.5593 .
C2H' C3H' 1.5581 .
C3H' C4H' 1.5397 .
C4H' C5H' 1.5372 .
C5H' C6H' 1.5399 .
C1E Cl1E 1.6260 .
C1E Cl2E 1.8364 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O3 Ag1 Ag2 O4 178.43(7) 2_675 .
O3 Ag1 Ag2 O4 -1.57(7) . .
O3 Ag1 Ag2 O4 -1.58(7) 2_675 2_675
O3 Ag1 Ag2 O4 178.42(7) . 2_675
C6 C1 C2 C3 1.1(5) . .
Si1 C1 C2 C3 -179.6(3) . .
C1 C2 C3 C4 -2.6(6) . .
C2 C3 C4 C5 1.5(6) . .
C3 C4 C5 C6 1.1(6) . .
C2 C1 C6 C5 1.5(5) . .
Si1 C1 C6 C5 -177.8(2) . .
C4 C5 C6 C1 -2.6(5) . .
C8' C7 C8 C9 100(3) . .
C12 C7 C8 C9 -9.0(8) . .
C12' C7 C8 C9 -38.9(11) . .
Si1 C7 C8 C9 173.4(4) . .
C7 C8 C9 C10 10.4(10) . .
C8 C9 C10 C11 -4.6(11) . .
C9 C10 C11 C12 -2.3(11) . .
C10 C11 C12 C7 3.3(9) . .
C8' C7 C12 C11 -11.9(9) . .
C8 C7 C12 C11 2.3(8) . .
C12' C7 C12 C11 52.8(12) . .
Si1 C7 C12 C11 -179.9(5) . .
C8 C7 C8' C9' -41(2) . .
C12 C7 C8' C9' 37.4(14) . .
C12' C7 C8' C9' 1.0(15) . .
Si1 C7 C8' C9' -155.7(10) . .
C7 C8' C9' C10' -26.6(19) . .
C8' C9' C10' C11' 21(3) . .
C9' C10' C11' C12' 9(3) . .
C10' C11' C12' C7 -47(4) . .
C8' C7 C12' C11' 38(3) . .
C8 C7 C12' C11' 46(3) . .
C12 C7 C12' C11' -92(3) . .
Si1 C7 C12' C11' -169(2) . .
C18 C13 C14 C15 -1.3(5) . .
Si1 C13 C14 C15 174.4(3) . .
C13 C14 C15 C16 0.1(6) . .
C14 C15 C16 C17 0.9(6) . .
C15 C16 C17 C18 -0.5(6) . .
C16 C17 C18 C13 -0.8(6) . .
C14 C13 C18 C17 1.7(5) . .
Si1 C13 C18 C17 -174.0(3) . .
C28 C19 C20 C21 -0.6(3) . .
Si1 C19 C20 C21 179.59(19) . .
C19 C20 C21 C26 6.1(4) . .
C19 C20 C21 C22 -173.6(3) . .
C20 C21 C22 C23 179.1(3) . .
C26 C21 C22 C23 -0.7(4) . .
C21 C22 C23 C24 0.0(5) . .
C22 C23 C24 C25 0.8(5) . .
C23 C24 C25 C26 -1.0(4) . .
C24 C25 C26 C21 0.4(4) . .
C24 C25 C26 C27 -175.3(3) . .
C20 C21 C26 C25 -179.3(2) . .
C22 C21 C26 C25 0.5(4) . .
C20 C21 C26 C27 -3.5(4) . .
C22 C21 C26 C27 176.3(2) . .
C25 C26 C27 C28 171.1(2) . .
C21 C26 C27 C28 -4.5(3) . .
C25 C26 C27 C29 -6.6(4) . .
C21 C26 C27 C29 177.7(2) . .
C26 C27 C28 O1 -172.24(19) . .
C29 C27 C28 O1 5.5(3) . .
C26 C27 C28 C19 10.7(3) . .
C29 C27 C28 C19 -171.5(2) . .
C20 C19 C28 C27 -8.2(3) . .
Si1 C19 C28 C27 171.66(18) . .
C20 C19 C28 O1 174.71(19) . .
Si1 C19 C28 O1 -5.5(3) . .
C28 C27 C29 C38 -55.5(3) . .
C26 C27 C29 C38 122.2(3) . .
C28 C27 C29 C30 122.9(3) . .
C26 C27 C29 C30 -59.4(3) . .
C38 C29 C30 C31 172.9(2) . .
C27 C29 C30 C31 -5.6(4) . .
C38 C29 C30 C35 -6.3(3) . .
C27 C29 C30 C35 175.3(2) . .
C29 C30 C31 C32 -178.9(3) . .
C35 C30 C31 C32 0.2(4) . .
C30 C31 C32 C33 -0.9(5) . .
C31 C32 C33 C34 0.5(5) . .
C32 C33 C34 C35 0.6(5) . .
C33 C34 C35 C36 179.6(3) . .
C33 C34 C35 C30 -1.3(5) . .
C31 C30 C35 C36 180.0(3) . .
C29 C30 C35 C36 -0.8(4) . .
C31 C30 C35 C34 0.8(4) . .
C29 C30 C35 C34 -180.0(3) . .
C34 C35 C36 C37 -175.9(3) . .
C30 C35 C36 C37 5.0(4) . .
C35 C36 C37 C38 -1.8(4) . .
C35 C36 C37 Si2 -178.2(2) . .
C30 C29 C38 O2 -174.7(2) . .
C27 C29 C38 O2 3.7(3) . .
C30 C29 C38 C37 10.0(4) . .
C27 C29 C38 C37 -171.6(2) . .
C36 C37 C38 C29 -5.9(4) . .
Si2 C37 C38 C29 170.50(19) . .
C36 C37 C38 O2 178.7(2) . .
Si2 C37 C38 O2 -4.9(3) . .
C44 C39 C40 C41 0.0 . .
Si2 C39 C40 C41 -172.83(13) . .
C39 C40 C41 C42 0.0 . .
C40 C41 C42 C43 0.0 . .
C41 C42 C43 C44 0.0 . .
C42 C43 C44 C39 0.0 . .
C40 C39 C44 C43 0.0 . .
Si2 C39 C44 C43 173.24(13) . .
C44' C39' C40' C41' 0.0 . .
Si2 C39' C40' C41' 178.71(15) . .
C39' C40' C41' C42' 0.0 . .
C40' C41' C42' C43' 0.0 . .
C41' C42' C43' C44' 0.0 . .
C42' C43' C44' C39' 0.0 . .
C40' C39' C44' C43' 0.0 . .
Si2 C39' C44' C43' -178.75(15) . .
C50 C45 C46 C47 -1.6(5) . .
Si2 C45 C46 C47 -179.0(3) . .
C45 C46 C47 C48 0.8(6) . .
C46 C47 C48 C49 0.1(6) . .
C47 C48 C49 C50 -0.2(5) . .
C46 C45 C50 C49 1.4(5) . .
Si2 C45 C50 C49 178.9(2) . .
C48 C49 C50 C45 -0.5(5) . .
C56 C51 C52 C53 0.0 . .
Si2 C51 C52 C53 179.3(3) . .
C51 C52 C53 C54 0.0 . .
C52 C53 C54 C55 0.0 . .
C53 C54 C55 C56 0.0 . .
C54 C55 C56 C51 0.0 . .
C52 C51 C56 C55 0.0 . .
Si2 C51 C56 C55 -179.4(2) . .
C56' C51' C52' C53' 0.0 . .
Si2 C51' C52' C53' -170.1(2) . .
C51' C52' C53' C54' 0.0 . .
C51' C52' C53' C53' 121.4(3) . 2_665
C52' C53' C54' C55' 0.0 . .
C53' C53' C54' C55' -131.71(19) 2_665 .
C53' C54' C55' C56' 0.0 . .
C54' C55' C56' C51' 0.0 . .
C52' C51' C56' C55' 0.0 . .
Si2 C51' C56' C55' 170.3(2) . .
C27 C28 O1 P1 69.0(2) . .
C19 C28 O1 P1 -113.76(19) . .
C29 C38 O2 P1 69.6(3) . .
C37 C38 O2 P1 -114.8(2) . .
O3 Ag1 O3 P1 1.44(12) 2_675 .
Ag2 Ag1 O3 P1 1.44(12) . .
O4 Ag2 O4 P1 2.37(12) 2_675 .
Ag1 Ag2 O4 P1 2.38(12) . .
Ag2 O4 P1 O3 -2.10(18) . .
Ag2 O4 P1 O2 120.42(12) . .
Ag2 O4 P1 O1 -128.64(11) . .
Ag1 O3 P1 O4 -0.20(18) . .
Ag1 O3 P1 O2 -126.00(12) . .
Ag1 O3 P1 O1 122.52(12) . .
C38 O2 P1 O4 66.84(19) . .
C38 O2 P1 O3 -161.60(17) . .
C38 O2 P1 O1 -44.22(18) . .
C28 O1 P1 O4 -161.65(15) . .
C28 O1 P1 O3 66.55(17) . .
C28 O1 P1 O2 -45.30(16) . .
C8' C7 Si1 C13 130.1(6) . .
C8 C7 Si1 C13 115.7(4) . .
C12 C7 Si1 C13 -62.0(4) . .
C12' C7 Si1 C13 -18.5(14) . .
C8' C7 Si1 C19 10.6(6) . .
C8 C7 Si1 C19 -3.8(5) . .
C12 C7 Si1 C19 178.5(3) . .
C12' C7 Si1 C19 -138.0(14) . .
C8' C7 Si1 C1 -112.1(6) . .
C8 C7 Si1 C1 -126.5(4) . .
C12 C7 Si1 C1 55.8(4) . .
C12' C7 Si1 C1 99.3(14) . .
C14 C13 Si1 C7 -57.5(3) . .
C18 C13 Si1 C7 118.0(3) . .
C14 C13 Si1 C19 64.5(3) . .
C18 C13 Si1 C19 -120.0(3) . .
C14 C13 Si1 C1 -178.3(3) . .
C18 C13 Si1 C1 -2.8(3) . .
C20 C19 Si1 C7 129.7(2) . .
C28 C19 Si1 C7 -50.1(2) . .
C20 C19 Si1 C13 12.4(2) . .
C28 C19 Si1 C13 -167.39(19) . .
C20 C19 Si1 C1 -105.0(2) . .
C28 C19 Si1 C1 75.2(2) . .
C6 C1 Si1 C7 -9.5(3) . .
C2 C1 Si1 C7 171.2(2) . .
C6 C1 Si1 C13 106.7(3) . .
C2 C1 Si1 C13 -72.6(3) . .
C6 C1 Si1 C19 -135.2(3) . .
C2 C1 Si1 C19 45.6(3) . .
C40' C39' Si2 C51' 125.88(18) . .
C44' C39' Si2 C51' -55.39(18) . .
C40' C39' Si2 C45 -119.71(16) . .
C44' C39' Si2 C45 59.02(17) . .
C40' C39' Si2 C37 9.36(18) . .
C44' C39' Si2 C37 -171.91(15) . .
C40' C39' Si2 C51 124.53(17) . .
C44' C39' Si2 C51 -56.74(18) . .
C40' C39' Si2 C39 -40.27(5) . .
C44' C39' Si2 C39 138.46(14) . .
C52' C51' Si2 C39' 117.6(2) . .
C56' C51' Si2 C39' -52.6(2) . .
C52' C51' Si2 C45 1.5(3) . .
C56' C51' Si2 C45 -168.7(2) . .
C52' C51' Si2 C37 -124.7(2) . .
C56' C51' Si2 C37 65.1(2) . .
C52' C51' Si2 C51 -67.47(12) . .
C56' C51' Si2 C51 122.29(13) . .
C52' C51' Si2 C39 120.2(2) . .
C56' C51' Si2 C39 -50.1(2) . .
C50 C45 Si2 C39' 177.4(2) . .
C46 C45 Si2 C39' -5.2(3) . .
C50 C45 Si2 C51' -81.7(3) . .
C46 C45 Si2 C51' 95.7(3) . .
C50 C45 Si2 C37 46.2(3) . .
C46 C45 Si2 C37 -136.5(3) . .
C50 C45 Si2 C51 -67.3(3) . .
C46 C45 Si2 C51 110.0(3) . .
C50 C45 Si2 C39 166.4(2) . .
C46 C45 Si2 C39 -16.2(3) . .
C36 C37 Si2 C39' 118.3(2) . .
C38 C37 Si2 C39' -58.0(2) . .
C36 C37 Si2 C51' 16.0(3) . .
C38 C37 Si2 C51' -160.3(2) . .
C36 C37 Si2 C45 -111.0(2) . .
C38 C37 Si2 C45 72.7(2) . .
C36 C37 Si2 C51 3.1(3) . .
C38 C37 Si2 C51 -173.2(2) . .
C36 C37 Si2 C39 126.7(2) . .
C38 C37 Si2 C39 -49.6(2) . .
C52 C51 Si2 C39' 154.2(2) . .
C56 C51 Si2 C39' -26.5(2) . .
C52 C51 Si2 C51' 148.92(10) . .
C56 C51 Si2 C51' -31.75(17) . .
C52 C51 Si2 C45 33.2(3) . .
C56 C51 Si2 C45 -147.5(2) . .
C52 C51 Si2 C37 -84.0(2) . .
C56 C51 Si2 C37 95.4(2) . .
C52 C51 Si2 C39 157.2(2) . .
C56 C51 Si2 C39 -23.5(2) . .
C40 C39 Si2 C39' 124.03(8) . .
C44 C39 Si2 C39' -49.01(15) . .
C40 C39 Si2 C51' 109.93(18) . .
C44 C39 Si2 C51' -63.11(19) . .
C40 C39 Si2 C45 -131.15(15) . .
C44 C39 Si2 C45 55.82(16) . .
C40 C39 Si2 C37 -9.41(16) . .
C44 C39 Si2 C37 177.55(14) . .
C40 C39 Si2 C51 107.78(18) . .
C44 C39 Si2 C51 -65.26(19) . .
C1H C2H C3H C4H 45.1 . .
C2H C3H C4H C5H 34.6 . .
C3H C4H C5H C6H -118.9 . .
C1H' C2H' C3H' C4H' 96.4 . .
C2H' C3H' C4H' C5H' -146.5 . .
C3H' C4H' C5H' C6H' 148.0 . .
