#------------------------------------------------------------------------------
#$Date: 2025-03-04 07:26:32 +0200 (Tue, 04 Mar 2025) $
#$Revision: 297968 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/82/7718252.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_7718252
loop_
_publ_author_name
'Nicasio, Antonio I.'
'Somerville, Rosie J.'
'Sahagún, Pablo'
'Soto, Enrique'
'López-Serrano, Joaquín'
'Campos, Jesús'
_publ_section_title
;
 Carbon-carbon bond formation and cleavage at redox active
 bis(pyridylimino)isoindole (BPI) germylene compounds.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3039
_journal_page_last               3046
_journal_paper_doi               10.1039/d4dt03489a
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety
'C48 H60 Ag2 Ge2 N12 Si4, 2(C2 F6 N O4 S2), 2(C6 H6)'
_chemical_formula_sum            'C64 H72 Ag2 F12 Ge2 N14 O8 S4 Si4'
_chemical_formula_weight         1994.923
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_Int_Tables_number      2
_atom_sites_solution_primary     dual
_audit_creation_date             2024-06-14
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_audit_update_record
;
2024-11-15 deposited with the CCDC.	2025-01-03 downloaded from the CCDC.
;
_cell_angle_alpha                99.488(4)
_cell_angle_beta                 102.293(4)
_cell_angle_gamma                109.977(4)
_cell_formula_units_Z            2
_cell_length_a                   15.8097(14)
_cell_length_b                   16.6796(15)
_cell_length_c                   17.6314(15)
_cell_measurement_reflns_used    9881
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      28.22
_cell_measurement_theta_min      2.45
_cell_volume                     4124.1(7)
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.5 (Bourhis et al., 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_diffrn_ambient_temperature      193.00
_diffrn_measured_fraction_theta_full 0.9985
_diffrn_measured_fraction_theta_max 0.9934
_diffrn_measurement_device_type  'Apex3 v2016.9-0 (Bruker, 2016)'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.0808
_diffrn_reflns_Laue_measured_fraction_full 0.9985
_diffrn_reflns_Laue_measured_fraction_max 0.9934
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            20453
_diffrn_reflns_point_group_measured_fraction_full 0.9985
_diffrn_reflns_point_group_measured_fraction_max 0.9934
_diffrn_reflns_theta_full        25.2417
_diffrn_reflns_theta_max         28.34
_diffrn_reflns_theta_min         1.92
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.435
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5744
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1311 before and 0.0982 after correction.
The Ratio of minimum to maximum transmission is 0.7703.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.606
_exptl_crystal_description       block
_exptl_crystal_F_000             2008.379
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.4037
_refine_diff_density_min         -1.9845
_refine_diff_density_rms         0.2755
_refine_ls_d_res_high            0.7487
_refine_ls_d_res_low             10.6082
_refine_ls_goodness_of_fit_ref   1.1917
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    121
_refine_ls_number_parameters     992
_refine_ls_number_reflns         20453
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.1906
_refine_ls_R_factor_all          0.1665
_refine_ls_R_factor_gt           0.0926
_refine_ls_shift/su_max          0.0009
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2515
_refine_ls_wR_factor_ref         0.3394
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              20
_reflns_limit_h_min              -21
_reflns_limit_k_max              21
_reflns_limit_k_min              -22
_reflns_limit_l_max              23
_reflns_limit_l_min              0
_reflns_number_gt                12262
_reflns_number_total             20453
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            d4dt03489a3.cif
_cod_data_source_block           jcm05321a
_cod_database_code               7718252
_olex2_refinement_description
;
1. Twinned data refinement
 Scales: 0.743(2)
 0.257(2)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Rigid body (RIGU) restrains
 C59, C60, C61, C62, C63, C64
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C8(H8), C9(H9), C10(H10), C11(H11), C15(H15),
 C16(H16), C17(H17), C18(H18), C25(H25), C26(H26), C27(H27), C28(H28), C32(H32),
  C33(H33), C34(H34), C35(H35), C39(H39), C40(H40), C41(H41), C42(H42),
 C53(H53), C54(H54), C55(H55), C56(H56), C57(H57), C58(H58), C60(H60), C59(H59),
  C64(H64), C63(H63), C62(H62), C61(H61)
4.b Fitted hexagon refined as free rotating group:
 C60(C59,C64,C63,C62,C61)
4.c Idealised Me refined as rotating group:
 C19(H19a,H19b,H19c), C20(H20a,H20b,H20c), C21(H21a,H21b,H21c), C22(H22a,H22b,
 H22c), C23(H23a,H23b,H23c), C24(H24a,H24b,H24c), C43(H43a,H43b,H43c), C44(H44a,
 H44b,H44c), C45(H45a,H45b,H45c), C46(H46a,H46b,H46c), C47(H47a,H47b,H47c),
 C48(H48a,H48b,H48c)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-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_refinement_flags_posn
_atom_site_refinement_flags_adp
Ag1 Ag 0.79050(6) 0.79489(5) 0.41262(5) 0.0443(2) Uani 1.000000 . .
Ag2 Ag 0.94604(5) 0.80661(5) 0.21276(5) 0.0453(2) Uani 1.000000 . .
Ge1 Ge 0.89406(7) 0.73024(6) 0.47172(6) 0.0331(2) Uani 1.000000 . .
Ge2 Ge 0.79000(7) 0.72573(7) 0.12300(6) 0.0361(2) Uani 1.000000 . .
S1 S 0.6094(2) 0.75823(18) 0.56489(17) 0.0454(6) Uani 1.000000 . .
S2 S 0.4676(2) 0.82200(18) 0.55533(17) 0.0476(6) Uani 1.000000 . .
Si1 Si 1.0602(2) 0.7227(2) 0.60419(18) 0.0488(7) Uani 1.000000 . .
Si2 Si 0.9979(2) 0.87629(19) 0.62927(18) 0.0474(7) Uani 1.000000 . .
Si3 Si 0.6087(2) 0.6878(2) -0.01668(18) 0.0495(7) Uani 1.000000 . .
Si4 Si 0.7775(2) 0.8625(2) 0.02839(18) 0.0494(7) Uani 1.000000 . .
F1 F 0.6818(8) 0.7044(6) 0.6810(5) 0.096(3) Uani 1.000000 . .
F2 F 0.5799(8) 0.7512(9) 0.7031(6) 0.108(4) Uani 1.000000 . .
F3 F 0.7118(8) 0.8393(7) 0.7134(6) 0.108(4) Uani 1.000000 . .
F4 F 0.3249(6) 0.7780(7) 0.4287(6) 0.097(3) Uani 1.000000 . .
F5 F 0.4507(7) 0.8772(8) 0.4268(6) 0.108(3) Uani 1.000000 . .
F6 F 0.4352(7) 0.7414(8) 0.4057(5) 0.101(3) Uani 1.000000 . .
O1 O 0.5403(6) 0.6703(5) 0.5307(6) 0.065(2) Uani 1.000000 . .
O2 O 0.6942(6) 0.7828(7) 0.5420(6) 0.070(3) Uani 1.000000 . .
O3 O 0.4093(6) 0.7433(6) 0.5714(6) 0.061(2) Uani 1.000000 . .
O4 O 0.4649(8) 0.9030(6) 0.5902(7) 0.080(3) Uani 1.000000 . .
N1 N 0.8110(6) 0.6105(5) 0.4798(5) 0.0394(17) Uani 1.000000 . .
N2 N 0.8323(6) 0.5189(5) 0.3695(5) 0.0411(18) Uani 1.000000 . .
N3 N 0.9400(6) 0.6705(5) 0.3979(5) 0.0361(16) Uani 1.000000 . .
N4 N 1.0455(6) 0.8014(5) 0.3913(5) 0.0381(17) Uani 1.000000 . .
N5 N 1.0882(5) 0.8746(5) 0.2925(4) 0.0342(16) Uani 1.000000 . .
N6 N 0.7889(6) 0.6088(5) 0.0671(5) 0.0379(17) Uani 1.000000 . .
N7 N 0.7022(6) 0.5156(5) 0.1392(5) 0.0405(18) Uani 1.000000 . .
N8 N 0.6998(6) 0.6607(5) 0.1701(5) 0.0390(17) Uani 1.000000 . .
N9 N 0.6884(6) 0.7881(5) 0.2279(5) 0.0417(18) Uani 1.000000 . .
N10 N 0.7011(5) 0.8581(5) 0.3607(4) 0.0328(15) Uani 1.000000 . .
N11 N 0.9834(6) 0.7734(6) 0.5703(5) 0.0412(18) Uani 1.000000 . .
N12 N 0.7267(6) 0.7552(6) 0.0392(5) 0.0421(18) Uani 1.000000 . .
N13 N 0.5716(6) 0.8336(6) 0.5632(6) 0.046(2) Uani 1.000000 . .
C1 C 0.7681(7) 0.6158(7) 0.5382(6) 0.042(2) Uani 1.000000 . .
H1 H 0.7806(7) 0.6725(7) 0.5703(6) 0.051(3) Uiso 1.000000 R .
C2 C 0.7080(8) 0.5434(8) 0.5526(6) 0.052(3) Uani 1.000000 . .
H2 H 0.6781(8) 0.5497(8) 0.5933(6) 0.063(3) Uiso 1.000000 R .
C3 C 0.6907(8) 0.4606(7) 0.5073(7) 0.051(3) Uani 1.000000 . .
H3 H 0.6508(8) 0.4091(7) 0.5177(7) 0.061(3) Uiso 1.000000 R .
C4 C 0.7330(8) 0.4539(7) 0.4460(6) 0.047(2) Uani 1.000000 . .
H4 H 0.7206(8) 0.3975(7) 0.4135(6) 0.056(3) Uiso 1.000000 R .
C5 C 0.7940(7) 0.5309(6) 0.4322(6) 0.038(2) Uani 1.000000 . .
C6 C 0.8962(6) 0.5826(6) 0.3571(5) 0.0344(19) Uani 1.000000 . .
C7 C 0.9363(7) 0.5718(6) 0.2901(5) 0.0368(19) Uani 1.000000 . .
C8 C 0.9160(8) 0.4960(7) 0.2310(6) 0.049(3) Uani 1.000000 . .
H8 H 0.8730(8) 0.4399(7) 0.2309(6) 0.058(3) Uiso 1.000000 R .
C9 C 0.9620(8) 0.5064(7) 0.1716(6) 0.050(2) Uani 1.000000 . .
H9 H 0.9481(8) 0.4562(7) 0.1293(6) 0.060(3) Uiso 1.000000 R .
C10 C 1.0255(9) 0.5854(7) 0.1719(7) 0.051(3) Uani 1.000000 . .
H10 H 1.0543(9) 0.5897(7) 0.1299(7) 0.061(3) Uiso 1.000000 R .
C11 C 1.0494(7) 0.6615(7) 0.2341(6) 0.042(2) Uani 1.000000 . .
H11 H 1.0968(7) 0.7163(7) 0.2367(6) 0.050(3) Uiso 1.000000 R .
C12 C 1.0011(7) 0.6533(6) 0.2915(6) 0.038(2) Uani 1.000000 . .
C13 C 1.0041(6) 0.7178(6) 0.3618(5) 0.0340(18) Uani 1.000000 . .
C14 C 1.1142(6) 0.8561(6) 0.3626(5) 0.0328(18) Uani 1.000000 . .
C15 C 1.2071(7) 0.8955(7) 0.4096(7) 0.045(2) Uani 1.000000 . .
H15 H 1.2246(7) 0.8838(7) 0.4603(7) 0.054(3) Uiso 1.000000 R .
C16 C 1.2726(8) 0.9503(7) 0.3834(7) 0.053(3) Uani 1.000000 . .
H16 H 1.3368(8) 0.9755(7) 0.4146(7) 0.063(3) Uiso 1.000000 R .
C17 C 1.2459(8) 0.9697(7) 0.3106(7) 0.051(3) Uani 1.000000 . .
H17 H 1.2906(8) 1.0089(7) 0.2914(7) 0.062(3) Uiso 1.000000 R .
C18 C 1.1521(8) 0.9300(7) 0.2674(7) 0.048(2) Uani 1.000000 . .
H18 H 1.1325(8) 0.9427(7) 0.2176(7) 0.057(3) Uiso 1.000000 R .
C19 C 1.0035(10) 0.6014(8) 0.5695(8) 0.064(4) Uani 1.000000 . .
H19a H 0.947(4) 0.5806(9) 0.587(5) 0.096(5) Uiso 1.000000 GR .
H19b H 0.986(6) 0.5832(9) 0.5107(9) 0.096(5) Uiso 1.000000 GR .
H19c H 1.047(3) 0.5759(8) 0.592(5) 0.096(5) Uiso 1.000000 GR .
C20 C 1.1025(11) 0.7518(14) 0.7187(9) 0.090(5) Uani 1.000000 . .
H20a H 1.122(8) 0.8154(19) 0.7402(9) 0.135(8) Uiso 1.000000 GR .
H20b H 1.051(3) 0.719(7) 0.7390(9) 0.135(8) Uiso 1.000000 GR .
H20c H 1.156(6) 0.736(8) 0.7358(9) 0.135(8) Uiso 1.000000 GR .
C21 C 1.1641(9) 0.7582(11) 0.5668(9) 0.071(4) Uani 1.000000 . .
H21a H 1.1436(10) 0.744(7) 0.5080(9) 0.107(6) Uiso 1.000000 GR .
H21b H 1.199(4) 0.8220(16) 0.589(5) 0.107(6) Uiso 1.000000 GR .
H21c H 1.204(4) 0.727(6) 0.584(6) 0.107(6) Uiso 1.000000 GR .
C22 C 0.9304(12) 0.9344(9) 0.5730(9) 0.073(4) Uani 1.000000 . .
H22a H 0.947(6) 0.939(7) 0.523(3) 0.110(6) Uiso 1.000000 GR .
H22b H 0.8627(12) 0.901(4) 0.561(6) 0.110(6) Uiso 1.000000 GR .
H22c H 0.947(6) 0.994(3) 0.606(3) 0.110(6) Uiso 1.000000 GR .
C23 C 1.1231(9) 0.9544(10) 0.6624(10) 0.079(4) Uani 1.000000 . .
H23a H 1.1602(17) 0.934(4) 0.700(5) 0.118(7) Uiso 1.000000 GR .
H23b H 1.147(3) 0.958(6) 0.6156(13) 0.118(7) Uiso 1.000000 GR .
H23c H 1.1282(13) 1.013(2) 0.689(6) 0.118(7) Uiso 1.000000 GR .
C24 C 0.9522(11) 0.8620(9) 0.7176(8) 0.073(4) Uani 1.000000 . .
H24a H 0.895(4) 0.808(4) 0.7015(17) 0.109(6) Uiso 1.000000 GR .
H24b H 1.000(3) 0.857(7) 0.760(2) 0.109(6) Uiso 1.000000 GR .
H24c H 0.938(7) 0.913(3) 0.737(4) 0.109(6) Uiso 1.000000 GR .
C25 C 0.8380(8) 0.6168(8) 0.0117(6) 0.047(2) Uani 1.000000 . .
H25 H 0.8683(8) 0.6735(8) 0.0040(6) 0.057(3) Uiso 1.000000 R .
C26 C 0.8445(9) 0.5442(8) -0.0334(7) 0.054(3) Uani 1.000000 . .
H26 H 0.8795(9) 0.5511(8) -0.0713(7) 0.064(3) Uiso 1.000000 R .
C27 C 0.7999(9) 0.4620(8) -0.0229(7) 0.057(3) Uani 1.000000 . .
H27 H 0.8002(9) 0.4108(8) -0.0556(7) 0.068(3) Uiso 1.000000 R .
C28 C 0.7551(8) 0.4553(7) 0.0354(6) 0.048(2) Uani 1.000000 . .
H28 H 0.7270(8) 0.3991(7) 0.0450(6) 0.058(3) Uiso 1.000000 R .
C29 C 0.7497(7) 0.5294(7) 0.0817(6) 0.041(2) Uani 1.000000 . .
C30 C 0.6821(7) 0.5759(6) 0.1775(5) 0.0353(19) Uani 1.000000 . .
C31 C 0.6332(7) 0.5644(6) 0.2397(5) 0.0373(19) Uani 1.000000 . .
C32 C 0.6008(8) 0.4918(7) 0.2697(6) 0.050(2) Uani 1.000000 . .
H32 H 0.6097(8) 0.4393(7) 0.2511(6) 0.059(3) Uiso 1.000000 R .
C33 C 0.5553(8) 0.4980(7) 0.3276(6) 0.050(3) Uani 1.000000 . .
H33 H 0.5317(8) 0.4483(7) 0.3481(6) 0.060(3) Uiso 1.000000 R .
C34 C 0.5427(8) 0.5745(8) 0.3572(7) 0.056(3) Uani 1.000000 . .
H34 H 0.5106(8) 0.5767(8) 0.3969(7) 0.067(3) Uiso 1.000000 R .
C35 C 0.5777(8) 0.6478(7) 0.3277(7) 0.049(2) Uani 1.000000 . .
H35 H 0.5707(8) 0.7009(7) 0.3478(7) 0.059(3) Uiso 1.000000 R .
C36 C 0.6235(7) 0.6431(6) 0.2682(6) 0.0376(19) Uani 1.000000 . .
C37 C 0.6698(6) 0.7059(6) 0.2257(5) 0.0357(19) Uani 1.000000 . .
C38 C 0.6661(7) 0.8439(6) 0.2823(5) 0.038(2) Uani 1.000000 . .
C39 C 0.6131(8) 0.8882(8) 0.2525(7) 0.050(3) Uani 1.000000 . .
H39 H 0.5891(8) 0.8782(8) 0.1961(7) 0.060(3) Uiso 1.000000 R .
C40 C 0.5949(8) 0.9469(8) 0.3045(8) 0.057(3) Uani 1.000000 . .
H40 H 0.5565(8) 0.9765(8) 0.2849(8) 0.068(3) Uiso 1.000000 R .
C41 C 0.6328(8) 0.9613(7) 0.3837(7) 0.052(3) Uani 1.000000 . .
H41 H 0.6217(8) 1.0018(7) 0.4209(7) 0.063(3) Uiso 1.000000 R .
C42 C 0.6874(8) 0.9177(7) 0.4109(6) 0.046(2) Uani 1.000000 . .
H42 H 0.7160(8) 0.9304(7) 0.4670(6) 0.055(3) Uiso 1.000000 R .
C43 C 0.8920(12) 0.9287(9) 0.1069(9) 0.086(5) Uani 1.000000 . .
H43a H 0.884(2) 0.925(7) 0.1600(11) 0.129(8) Uiso 1.000000 GR .
H43b H 0.939(3) 0.906(5) 0.097(4) 0.129(8) Uiso 1.000000 GR .
H43c H 0.913(4) 0.9906(18) 0.105(5) 0.129(8) Uiso 1.000000 GR .
C44 C 0.7002(11) 0.9219(10) 0.0390(10) 0.082(4) Uani 1.000000 . .
H44a H 0.645(4) 0.898(5) -0.009(3) 0.123(7) Uiso 1.000000 GR .
H44b H 0.679(7) 0.915(7) 0.087(4) 0.123(7) Uiso 1.000000 GR .
H44c H 0.735(3) 0.9848(16) 0.044(7) 0.123(7) Uiso 1.000000 GR .
C45 C 0.8050(13) 0.8610(11) -0.0693(8) 0.089(5) Uani 1.000000 . .
H45a H 0.837(8) 0.821(7) -0.078(4) 0.133(8) Uiso 1.000000 GR .
H45b H 0.7464(15) 0.841(8) -0.1130(11) 0.133(8) Uiso 1.000000 GR .
H45c H 0.846(8) 0.921(2) -0.068(3) 0.133(8) Uiso 1.000000 GR .
C46 C 0.5232(10) 0.6982(12) 0.0380(9) 0.080(4) Uani 1.000000 . .
H46a H 0.538(5) 0.683(8) 0.089(3) 0.120(7) Uiso 1.000000 GR .
H46b H 0.527(6) 0.759(2) 0.048(6) 0.120(7) Uiso 1.000000 GR .
H46c H 0.4595(13) 0.658(6) 0.005(3) 0.120(7) Uiso 1.000000 GR .
C47 C 0.5780(11) 0.7128(10) -0.1157(8) 0.078(4) Uani 1.000000 . .
H47a H 0.600(7) 0.7769(10) -0.1081(12) 0.117(7) Uiso 1.000000 GR .
H47b H 0.608(7) 0.689(7) -0.152(2) 0.117(7) Uiso 1.000000 GR .
H47c H 0.5096(12) 0.686(7) -0.140(3) 0.117(7) Uiso 1.000000 GR .
C48 C 0.5885(7) 0.5689(7) -0.0435(6) 0.050(3) Uani 1.000000 . .
H48a H 0.640(3) 0.5620(9) -0.063(5) 0.075(4) Uiso 1.000000 GR .
H48b H 0.586(6) 0.5459(15) 0.0041(14) 0.075(4) Uiso 1.000000 GR .
H48c H 0.529(3) 0.5360(11) -0.086(4) 0.075(4) Uiso 1.000000 GR .
C49 C 0.6473(10) 0.7634(9) 0.6707(7) 0.058(3) Uani 1.000000 . .
C50 C 0.4170(9) 0.8022(12) 0.4482(9) 0.072(4) Uani 1.000000 . .
S3 S 0.3032(3) 0.8205(3) 0.1097(2) 0.0694(9) Uani 1.000000 . .
S4 S 0.1083(2) 0.7708(2) 0.05419(18) 0.0558(7) Uani 1.000000 . .
F7 F 0.2476(7) 0.7082(10) 0.1910(7) 0.123(4) Uani 1.000000 . .
F8 F 0.3949(7) 0.7548(9) 0.2022(8) 0.115(4) Uani 1.000000 . .
F9 F 0.3423(14) 0.8390(12) 0.2627(6) 0.185(8) Uani 1.000000 . .
F10 F 0.0062(9) 0.7714(10) -0.0803(6) 0.139(5) Uani 1.000000 . .
F11 F 0.1058(11) 0.8992(9) -0.0105(9) 0.142(5) Uani 1.000000 . .
F12 F 0.1526(11) 0.8121(11) -0.0713(7) 0.148(5) Uani 1.000000 . .
O5 O 0.2915(9) 0.7491(8) 0.0459(6) 0.093(3) Uani 1.000000 . .
O6 O 0.3799(9) 0.9001(9) 0.1261(11) 0.142(6) Uani 1.000000 . .
O7 O 0.0891(8) 0.6811(6) 0.0221(7) 0.083(3) Uani 1.000000 . .
O8 O 0.0429(8) 0.7899(8) 0.0918(6) 0.084(3) Uani 1.000000 . .
N14 N 0.2113(9) 0.8363(8) 0.1089(7) 0.072(3) Uani 1.000000 . .
C51 C 0.3220(11) 0.7795(12) 0.1959(9) 0.077(4) Uani 1.000000 . .
C52 C 0.0935(12) 0.8147(12) -0.0334(9) 0.079(4) Uani 1.000000 . .
C53 C 0.4440(17) 0.8553(16) 0.7881(14) 0.117(7) Uani 1.000000 . .
H53 H 0.4825(17) 0.8851(16) 0.7585(14) 0.140(9) Uiso 1.000000 R .
C54 C 0.3872(12) 0.7698(14) 0.7583(10) 0.085(5) Uani 1.000000 . .
H54 H 0.3841(12) 0.7398(14) 0.7064(10) 0.102(6) Uiso 1.000000 R .
C55 C 0.3361(11) 0.7268(11) 0.7993(12) 0.088(5) Uani 1.000000 . .
H55 H 0.2981(11) 0.6657(11) 0.7770(12) 0.105(6) Uiso 1.000000 R .
C56 C 0.3357(14) 0.7680(13) 0.8745(11) 0.092(5) Uani 1.000000 . .
H56 H 0.2988(14) 0.7364(13) 0.9042(11) 0.110(6) Uiso 1.000000 R .
C57 C 0.3898(16) 0.8541(15) 0.9032(12) 0.115(7) Uani 1.000000 . .
H57 H 0.3893(16) 0.8845(15) 0.9535(12) 0.138(9) Uiso 1.000000 R .
C58 C 0.4459(18) 0.9001(13) 0.8625(15) 0.122(8) Uani 1.000000 . .
H58 H 0.4851(18) 0.9609(13) 0.8847(15) 0.147(9) Uiso 1.000000 R .
C60 C 0.8462(10) 0.6140(10) 0.7660(9) 0.137(6) Uani 1.000000 . U
H60 H 0.8969(10) 0.6688(10) 0.7745(9) 0.165(7) Uiso 1.000000 R .
C59 C 0.7669(13) 0.6124(9) 0.7889(7) 0.128(6) Uani 1.000000 G U
H59 H 0.7634(13) 0.6660(9) 0.8131(7) 0.154(7) Uiso 1.000000 R .
C64 C 0.6926(9) 0.5323(13) 0.7764(7) 0.119(5) Uani 1.000000 G U
H64 H 0.6384(9) 0.5312(13) 0.7920(7) 0.142(6) Uiso 1.000000 R .
C63 C 0.6977(9) 0.4539(9) 0.7410(8) 0.112(5) Uani 1.000000 G U
H63 H 0.6469(9) 0.3991(9) 0.7324(8) 0.135(6) Uiso 1.000000 R .
C62 C 0.7770(12) 0.4555(10) 0.7181(7) 0.121(6) Uani 1.000000 G U
H62 H 0.7805(12) 0.4019(10) 0.6939(7) 0.145(7) Uiso 1.000000 R .
C61 C 0.8513(9) 0.5356(13) 0.7306(8) 0.127(6) Uani 1.000000 G U
H61 H 0.9055(9) 0.5367(13) 0.7149(8) 0.153(7) Uiso 1.000000 R .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
Ag -0.87490 1.10631 19.28080 16.68850 4.80450 1.04630 0.64460 7.47260 24.66050
99.81560 5.17900 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
C 0.00313 0.00162 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.21560 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
F 0.01756 0.01033 3.53920 2.64120 1.51700 1.02430 10.28250 4.29440 0.26150
26.14760 0.27760 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
Ge 0.15877 1.81111 16.08160 6.37470 3.70680 3.68300 2.85090 0.25160 11.44680
54.76250 2.13130 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.00304 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
N 0.00612 0.00332 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.52900 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
O 0.01085 0.00610 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.25080 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
S 0.12485 0.12449 6.90530 5.20340 1.43790 1.58630 1.46790 22.21510 0.25360
56.17200 0.86690 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
Si 0.08275 0.07119 6.29150 3.03530 1.98910 1.54100 2.43860 32.33370 0.67850
81.69370 1.14070 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
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
_geom_angle_publ_flag
N10 Ag1 Ge1 177.9(2) . . ?
N5 Ag2 Ge2 177.5(2) . . ?
N1 Ge1 Ag1 106.7(2) . . ?
N3 Ge1 Ag1 115.2(2) . . ?
N3 Ge1 N1 88.4(3) . . ?
N11 Ge1 Ag1 128.2(3) . . ?
N11 Ge1 N1 101.7(4) . . ?
N11 Ge1 N3 108.0(3) . . ?
N6 Ge2 Ag2 105.9(2) . . ?
N8 Ge2 Ag2 115.2(3) . . ?
N8 Ge2 N6 87.6(3) . . ?
N12 Ge2 Ag2 129.1(3) . . ?
N12 Ge2 N6 101.8(3) . . ?
N12 Ge2 N8 107.7(4) . . ?
O2 S1 O1 118.6(6) . . ?
N13 S1 O1 115.7(5) . . ?
N13 S1 O2 108.9(5) . . ?
C49 S1 O1 103.5(6) . . ?
C49 S1 O2 104.3(6) . . ?
C49 S1 N13 104.1(5) . . ?
O4 S2 O3 118.3(6) . . ?
N13 S2 O3 116.0(5) . . ?
N13 S2 O4 109.8(6) . . ?
C50 S2 O3 102.1(7) . . ?
C50 S2 O4 105.1(7) . . ?
C50 S2 N13 103.3(6) . . ?
C19 Si1 N11 112.2(5) . . ?
C20 Si1 N11 111.4(6) . . ?
C20 Si1 C19 106.8(7) . . ?
C21 Si1 N11 110.5(5) . . ?
C21 Si1 C19 107.5(7) . . ?
C21 Si1 C20 108.3(7) . . ?
C22 Si2 N11 113.4(5) . . ?
C23 Si2 N11 111.0(6) . . ?
C23 Si2 C22 105.4(7) . . ?
C24 Si2 N11 110.8(5) . . ?
C24 Si2 C22 105.4(7) . . ?
C24 Si2 C23 110.7(7) . . ?
C46 Si3 N12 112.8(5) . . ?
C47 Si3 N12 111.0(6) . . ?
C47 Si3 C46 109.5(7) . . ?
C48 Si3 N12 112.1(5) . . ?
C48 Si3 C46 107.0(7) . . ?
C48 Si3 C47 104.0(6) . . ?
C43 Si4 N12 111.9(5) . . ?
C44 Si4 N12 110.4(6) . . ?
C44 Si4 C43 106.7(8) . . ?
C45 Si4 N12 111.4(6) . . ?
C45 Si4 C43 105.3(8) . . ?
C45 Si4 C44 110.9(8) . . ?
C1 N1 Ge1 113.1(6) . . ?
C5 N1 Ge1 126.6(6) . . ?
C5 N1 C1 120.2(8) . . ?
C6 N2 C5 122.1(8) . . ?
C6 N3 Ge1 124.9(6) . . ?
C13 N3 Ge1 120.8(6) . . ?
C13 N3 C6 111.5(7) . . ?
C14 N4 C13 123.2(8) . . ?
C14 N5 Ag2 121.5(6) . . ?
C18 N5 Ag2 118.5(7) . . ?
C18 N5 C14 119.7(8) . . ?
C25 N6 Ge2 112.8(7) . . ?
C29 N6 Ge2 127.2(7) . . ?
C29 N6 C25 120.0(9) . . ?
C30 N7 C29 122.5(9) . . ?
C30 N8 Ge2 126.2(6) . . ?
C37 N8 Ge2 119.6(6) . . ?
C37 N8 C30 110.7(8) . . ?
C38 N9 C37 123.3(9) . . ?
C38 N10 Ag1 122.9(6) . . ?
C42 N10 Ag1 117.3(6) . . ?
C42 N10 C38 119.6(8) . . ?
Si1 N11 Ge1 123.7(5) . . ?
Si2 N11 Ge1 116.9(5) . . ?
Si2 N11 Si1 119.3(5) . . ?
Si3 N12 Ge2 121.7(5) . . ?
Si4 N12 Ge2 117.7(5) . . ?
Si4 N12 Si3 119.4(5) . . ?
S2 N13 S1 125.2(6) . . ?
H1 C1 N1 118.7(6) . . ?
C2 C1 N1 122.7(10) . . ?
C2 C1 H1 118.7(6) . . ?
H2 C2 C1 120.4(6) . . ?
C3 C2 C1 119.2(10) . . ?
C3 C2 H2 120.4(6) . . ?
H3 C3 C2 120.6(6) . . ?
C4 C3 C2 118.9(10) . . ?
C4 C3 H3 120.6(6) . . ?
H4 C4 C3 119.9(6) . . ?
C5 C4 C3 120.1(10) . . ?
C5 C4 H4 119.9(6) . . ?
N2 C5 N1 124.4(8) . . ?
C4 C5 N1 118.9(9) . . ?
C4 C5 N2 116.7(9) . . ?
N3 C6 N2 130.7(9) . . ?
C7 C6 N2 123.0(8) . . ?
C7 C6 N3 106.3(8) . . ?
C8 C7 C6 129.3(9) . . ?
C12 C7 C6 109.0(8) . . ?
C12 C7 C8 121.7(9) . . ?
H8 C8 C7 121.6(6) . . ?
C9 C8 C7 116.8(10) . . ?
C9 C8 H8 121.6(6) . . ?
H9 C9 C8 118.8(6) . . ?
C10 C9 C8 122.4(10) . . ?
C10 C9 H9 118.8(6) . . ?
H10 C10 C9 119.6(6) . . ?
C11 C10 C9 120.8(10) . . ?
C11 C10 H10 119.6(6) . . ?
H11 C11 C10 121.2(6) . . ?
C12 C11 C10 117.5(10) . . ?
C12 C11 H11 121.2(6) . . ?
C11 C12 C7 120.7(9) . . ?
C13 C12 C7 106.7(8) . . ?
C13 C12 C11 132.6(9) . . ?
N4 C13 N3 117.6(8) . . ?
C12 C13 N3 106.5(8) . . ?
C12 C13 N4 135.8(9) . . ?
N5 C14 N4 119.5(8) . . ?
C15 C14 N4 119.9(8) . . ?
C15 C14 N5 120.4(9) . . ?
H15 C15 C14 120.0(6) . . ?
C16 C15 C14 120.0(10) . . ?
C16 C15 H15 120.0(7) . . ?
H16 C16 C15 120.2(7) . . ?
C17 C16 C15 119.7(10) . . ?
C17 C16 H16 120.2(6) . . ?
H17 C17 C16 121.2(6) . . ?
C18 C17 C16 117.6(10) . . ?
C18 C17 H17 121.2(7) . . ?
C17 C18 N5 122.5(10) . . ?
H18 C18 N5 118.7(6) . . ?
H18 C18 C17 118.7(7) . . ?
H19a C19 Si1 109.5 . . ?
H19b C19 Si1 109.5 . . ?
H19b C19 H19a 109.5 . . ?
H19c C19 Si1 109.5 . . ?
H19c C19 H19a 109.5 . . ?
H19c C19 H19b 109.5 . . ?
H20a C20 Si1 109.5 . . ?
H20b C20 Si1 109.5 . . ?
H20b C20 H20a 109.5 . . ?
H20c C20 Si1 109.5 . . ?
H20c C20 H20a 109.5 . . ?
H20c C20 H20b 109.5 . . ?
H21a C21 Si1 109.5 . . ?
H21b C21 Si1 109.5 . . ?
H21b C21 H21a 109.5 . . ?
H21c C21 Si1 109.5 . . ?
H21c C21 H21a 109.5 . . ?
H21c C21 H21b 109.5 . . ?
H22a C22 Si2 109.5 . . ?
H22b C22 Si2 109.5 . . ?
H22b C22 H22a 109.5 . . ?
H22c C22 Si2 109.5 . . ?
H22c C22 H22a 109.5 . . ?
H22c C22 H22b 109.5 . . ?
H23a C23 Si2 109.5 . . ?
H23b C23 Si2 109.5 . . ?
H23b C23 H23a 109.5 . . ?
H23c C23 Si2 109.5 . . ?
H23c C23 H23a 109.5 . . ?
H23c C23 H23b 109.5 . . ?
H24a C24 Si2 109.5 . . ?
H24b C24 Si2 109.5 . . ?
H24b C24 H24a 109.5 . . ?
H24c C24 Si2 109.5 . . ?
H24c C24 H24a 109.5 . . ?
H24c C24 H24b 109.5 . . ?
H25 C25 N6 119.3(6) . . ?
C26 C25 N6 121.5(10) . . ?
C26 C25 H25 119.3(7) . . ?
H26 C26 C25 120.4(7) . . ?
C27 C26 C25 119.3(11) . . ?
C27 C26 H26 120.4(7) . . ?
H27 C27 C26 120.6(7) . . ?
C28 C27 C26 118.7(11) . . ?
C28 C27 H27 120.6(7) . . ?
H28 C28 C27 119.2(7) . . ?
C29 C28 C27 121.6(11) . . ?
C29 C28 H28 119.2(6) . . ?
N7 C29 N6 124.1(9) . . ?
C28 C29 N6 118.7(9) . . ?
C28 C29 N7 117.2(9) . . ?
N8 C30 N7 129.0(9) . . ?
C31 C30 N7 124.2(8) . . ?
C31 C30 N8 106.7(8) . . ?
C32 C31 C30 129.6(9) . . ?
C36 C31 C30 108.6(8) . . ?
C36 C31 C32 121.8(9) . . ?
H32 C32 C31 121.0(6) . . ?
C33 C32 C31 117.9(11) . . ?
C33 C32 H32 121.0(7) . . ?
H33 C33 C32 118.8(7) . . ?
C34 C33 C32 122.4(10) . . ?
C34 C33 H33 118.8(7) . . ?
H34 C34 C33 120.5(7) . . ?
C35 C34 C33 119.0(10) . . ?
C35 C34 H34 120.5(7) . . ?
H35 C35 C34 120.1(7) . . ?
C36 C35 C34 119.9(10) . . ?
C36 C35 H35 120.1(6) . . ?
C35 C36 C31 119.0(9) . . ?
C37 C36 C31 106.5(8) . . ?
C37 C36 C35 134.5(9) . . ?
N9 C37 N8 116.1(8) . . ?
C36 C37 N8 107.4(8) . . ?
C36 C37 N9 136.5(9) . . ?
N10 C38 N9 120.5(8) . . ?
C39 C38 N9 118.7(9) . . ?
C39 C38 N10 120.6(9) . . ?
H39 C39 C38 120.1(6) . . ?
C40 C39 C38 119.9(10) . . ?
C40 C39 H39 120.1(7) . . ?
H40 C40 C39 120.9(7) . . ?
C41 C40 C39 118.2(10) . . ?
C41 C40 H40 120.9(7) . . ?
H41 C41 C40 119.9(7) . . ?
C42 C41 C40 120.1(10) . . ?
C42 C41 H41 119.9(7) . . ?
C41 C42 N10 121.4(10) . . ?
H42 C42 N10 119.3(6) . . ?
H42 C42 C41 119.3(7) . . ?
H43a C43 Si4 109.5 . . ?
H43b C43 Si4 109.5 . . ?
H43b C43 H43a 109.5 . . ?
H43c C43 Si4 109.5 . . ?
H43c C43 H43a 109.5 . . ?
H43c C43 H43b 109.5 . . ?
H44a C44 Si4 109.5 . . ?
H44b C44 Si4 109.5 . . ?
H44b C44 H44a 109.5 . . ?
H44c C44 Si4 109.5 . . ?
H44c C44 H44a 109.5 . . ?
H44c C44 H44b 109.5 . . ?
H45a C45 Si4 109.5 . . ?
H45b C45 Si4 109.5 . . ?
H45b C45 H45a 109.5 . . ?
H45c C45 Si4 109.5 . . ?
H45c C45 H45a 109.5 . . ?
H45c C45 H45b 109.5 . . ?
H46a C46 Si3 109.5 . . ?
H46b C46 Si3 109.5 . . ?
H46b C46 H46a 109.5 . . ?
H46c C46 Si3 109.5 . . ?
H46c C46 H46a 109.5 . . ?
H46c C46 H46b 109.5 . . ?
H47a C47 Si3 109.5 . . ?
H47b C47 Si3 109.5 . . ?
H47b C47 H47a 109.5 . . ?
H47c C47 Si3 109.5 . . ?
H47c C47 H47a 109.5 . . ?
H47c C47 H47b 109.5 . . ?
H48a C48 Si3 109.5 . . ?
H48b C48 Si3 109.5 . . ?
H48b C48 H48a 109.5 . . ?
H48c C48 Si3 109.5 . . ?
H48c C48 H48a 109.5 . . ?
H48c C48 H48b 109.5 . . ?
F1 C49 S1 110.6(9) . . ?
F2 C49 S1 112.4(9) . . ?
F2 C49 F1 108.4(12) . . ?
F3 C49 S1 113.3(9) . . ?
F3 C49 F1 106.9(12) . . ?
F3 C49 F2 104.9(12) . . ?
F4 C50 S2 111.7(11) . . ?
F5 C50 S2 109.1(11) . . ?
F5 C50 F4 106.1(11) . . ?
F6 C50 S2 112.4(9) . . ?
F6 C50 F4 108.1(14) . . ?
F6 C50 F5 109.2(13) . . ?
O6 S3 O5 118.5(10) . . ?
N14 S3 O5 114.0(7) . . ?
N14 S3 O6 111.1(9) . . ?
C51 S3 O5 103.0(8) . . ?
C51 S3 O6 105.7(9) . . ?
C51 S3 N14 102.4(7) . . ?
O8 S4 O7 117.1(7) . . ?
N14 S4 O7 120.2(7) . . ?
N14 S4 O8 107.1(6) . . ?
C52 S4 O7 104.3(8) . . ?
C52 S4 O8 102.6(7) . . ?
C52 S4 N14 102.9(7) . . ?
S4 N14 S3 125.1(7) . . ?
F7 C51 S3 111.1(10) . . ?
F8 C51 S3 110.6(11) . . ?
F8 C51 F7 106.5(15) . . ?
F9 C51 S3 112.5(14) . . ?
F9 C51 F7 109.6(16) . . ?
F9 C51 F8 106.2(14) . . ?
F10 C52 S4 109.0(12) . . ?
F11 C52 S4 109.8(11) . . ?
F11 C52 F10 106.9(15) . . ?
F12 C52 S4 112.7(12) . . ?
F12 C52 F10 111.5(15) . . ?
F12 C52 F11 106.9(16) . . ?
C54 C53 H53 120.3(12) . . ?
C58 C53 H53 120.3(13) . . ?
C58 C53 C54 119.4(18) . . ?
H54 C54 C53 119.4(12) . . ?
C55 C54 C53 121.3(18) . . ?
C55 C54 H54 119.4(11) . . ?
H55 C55 C54 119.1(11) . . ?
C56 C55 C54 121.9(16) . . ?
C56 C55 H55 119.1(11) . . ?
H56 C56 C55 121.5(11) . . ?
C57 C56 C55 116.9(16) . . ?
C57 C56 H56 121.5(11) . . ?
H57 C57 C56 118.8(11) . . ?
C58 C57 C56 122.3(19) . . ?
C58 C57 H57 118.8(13) . . ?
C57 C58 C53 118(2) . . ?
H58 C58 C53 120.9(13) . . ?
H58 C58 C57 120.9(13) . . ?
C59 C60 H60 120.0 . . ?
C61 C60 H60 120.0 . . ?
C61 C60 C59 120.0 . . ?
H59 C59 C60 120.0(6) . . ?
C64 C59 C60 120.0 . . ?
C64 C59 H59 120.0(6) . . ?
H64 C64 C59 120.0(6) . . ?
C63 C64 C59 120.0 . . ?
C63 C64 H64 120.0(6) . . ?
H63 C63 C64 120.0(6) . . ?
C62 C63 C64 120.000000000(17) . . ?
C62 C63 H63 120.0(6) . . ?
H62 C62 C63 120.0(6) . . ?
C61 C62 C63 120.0 . . ?
C61 C62 H62 120.0(6) . . ?
C62 C61 C60 120.0 . . ?
H61 C61 C60 120.0(6) . . ?
H61 C61 C62 120.0(6) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ge1 2.4041(11) . ?
Ag1 N10 2.175(7) . ?
Ag2 Ge2 2.4020(12) . ?
Ag2 N5 2.169(7) . ?
Ge1 N1 2.029(8) . ?
Ge1 N3 1.919(8) . ?
Ge1 N11 1.839(9) . ?
Ge2 N6 2.028(8) . ?
Ge2 N8 1.910(8) . ?
Ge2 N12 1.837(9) . ?
S1 O1 1.429(9) . ?
S1 O2 1.428(8) . ?
S1 N13 1.567(9) . ?
S1 C49 1.813(12) . ?
S2 O3 1.436(8) . ?
S2 O4 1.408(9) . ?
S2 N13 1.560(9) . ?
S2 C50 1.814(14) . ?
Si1 N11 1.762(9) . ?
Si1 C19 1.841(13) . ?
Si1 C20 1.908(14) . ?
Si1 C21 1.847(14) . ?
Si2 N11 1.766(9) . ?
Si2 C22 1.907(15) . ?
Si2 C23 1.859(13) . ?
Si2 C24 1.867(12) . ?
Si3 N12 1.770(9) . ?
Si3 C46 1.855(15) . ?
Si3 C47 1.865(12) . ?
Si3 C48 1.859(12) . ?
Si4 N12 1.755(9) . ?
Si4 C43 1.864(15) . ?
Si4 C44 1.838(15) . ?
Si4 C45 1.862(13) . ?
F1 C49 1.297(14) . ?
F2 C49 1.286(15) . ?
F3 C49 1.299(16) . ?
F4 C50 1.318(14) . ?
F5 C50 1.332(18) . ?
F6 C50 1.309(18) . ?
N1 C1 1.355(12) . ?
N1 C5 1.353(12) . ?
N2 C5 1.388(12) . ?
N2 C6 1.278(12) . ?
N3 C6 1.376(11) . ?
N3 C13 1.397(12) . ?
N4 C13 1.280(12) . ?
N4 C14 1.407(12) . ?
N5 C14 1.336(11) . ?
N5 C18 1.326(13) . ?
N6 C25 1.367(13) . ?
N6 C29 1.350(13) . ?
N7 C29 1.387(13) . ?
N7 C30 1.286(12) . ?
N8 C30 1.379(12) . ?
N8 C37 1.399(12) . ?
N9 C37 1.292(12) . ?
N9 C38 1.408(12) . ?
N10 C38 1.323(11) . ?
N10 C42 1.327(12) . ?
C1 H1 0.9500 . ?
C1 C2 1.360(15) . ?
C2 H2 0.9500 . ?
C2 C3 1.380(15) . ?
C3 H3 0.9500 . ?
C3 C4 1.394(15) . ?
C4 H4 0.9500 . ?
C4 C5 1.412(14) . ?
C6 C7 1.469(13) . ?
C7 C8 1.391(13) . ?
C7 C12 1.387(14) . ?
C8 H8 0.9500 . ?
C8 C9 1.397(15) . ?
C9 H9 0.9500 . ?
C9 C10 1.355(16) . ?
C10 H10 0.9500 . ?
C10 C11 1.412(14) . ?
C11 H11 0.9500 . ?
C11 C12 1.389(13) . ?
C12 C13 1.481(13) . ?
C14 C15 1.384(13) . ?
C15 H15 0.9500 . ?
C15 C16 1.348(16) . ?
C16 H16 0.9500 . ?
C16 C17 1.389(16) . ?
C17 H17 0.9500 . ?
C17 C18 1.378(15) . ?
C18 H18 0.9500 . ?
C19 H19a 0.9800 . ?
C19 H19b 0.9800 . ?
C19 H19c 0.9800 . ?
C20 H20a 0.9800 . ?
C20 H20b 0.9800 . ?
C20 H20c 0.9800 . ?
C21 H21a 0.9800 . ?
C21 H21b 0.9800 . ?
C21 H21c 0.9800 . ?
C22 H22a 0.9800 . ?
C22 H22b 0.9800 . ?
C22 H22c 0.9800 . ?
C23 H23a 0.9800 . ?
C23 H23b 0.9800 . ?
C23 H23c 0.9800 . ?
C24 H24a 0.9800 . ?
C24 H24b 0.9800 . ?
C24 H24c 0.9800 . ?
C25 H25 0.9500 . ?
C25 C26 1.383(15) . ?
C26 H26 0.9500 . ?
C26 C27 1.376(17) . ?
C27 H27 0.9500 . ?
C27 C28 1.365(16) . ?
C28 H28 0.9500 . ?
C28 C29 1.405(14) . ?
C30 C31 1.471(13) . ?
C31 C32 1.384(14) . ?
C31 C36 1.398(13) . ?
C32 H32 0.9500 . ?
C32 C33 1.378(15) . ?
C33 H33 0.9500 . ?
C33 C34 1.392(17) . ?
C34 H34 0.9500 . ?
C34 C35 1.394(16) . ?
C35 H35 0.9500 . ?
C35 C36 1.400(14) . ?
C36 C37 1.470(13) . ?
C38 C39 1.373(13) . ?
C39 H39 0.9500 . ?
C39 C40 1.376(16) . ?
C40 H40 0.9500 . ?
C40 C41 1.342(16) . ?
C41 H41 0.9500 . ?
C41 C42 1.367(15) . ?
C42 H42 0.9500 . ?
C43 H43a 0.9800 . ?
C43 H43b 0.9800 . ?
C43 H43c 0.9800 . ?
C44 H44a 0.9800 . ?
C44 H44b 0.9800 . ?
C44 H44c 0.9800 . ?
C45 H45a 0.9800 . ?
C45 H45b 0.9800 . ?
C45 H45c 0.9800 . ?
C46 H46a 0.9800 . ?
C46 H46b 0.9800 . ?
C46 H46c 0.9800 . ?
C47 H47a 0.9800 . ?
C47 H47b 0.9800 . ?
C47 H47c 0.9800 . ?
C48 H48a 0.9800 . ?
C48 H48b 0.9800 . ?
C48 H48c 0.9800 . ?
S3 O5 1.428(11) . ?
S3 O6 1.393(12) . ?
S3 N14 1.561(13) . ?
S3 C51 1.777(15) . ?
S4 O7 1.409(10) . ?
S4 O8 1.435(10) . ?
S4 N14 1.594(12) . ?
S4 C52 1.819(16) . ?
F7 C51 1.33(2) . ?
F8 C51 1.340(16) . ?
F9 C51 1.307(19) . ?
F10 C52 1.322(19) . ?
F11 C52 1.33(2) . ?
F12 C52 1.267(18) . ?
C53 H53 0.9500 . ?
C53 C54 1.34(3) . ?
C53 C58 1.39(3) . ?
C54 H54 0.9500 . ?
C54 C55 1.31(2) . ?
C55 H55 0.9500 . ?
C55 C56 1.39(2) . ?
C56 H56 0.9500 . ?
C56 C57 1.34(3) . ?
C57 H57 0.9500 . ?
C57 C58 1.37(3) . ?
C58 H58 0.9500 . ?
C60 H60 0.9500 . ?
C60 C59 1.3900 . ?
C60 C61 1.3900 . ?
C59 H59 0.9500 . ?
C59 C64 1.3900 . ?
C64 H64 0.9500 . ?
C64 C63 1.3900 . ?
C63 H63 0.9500 . ?
C63 C62 1.3900 . ?
C62 H62 0.9500 . ?
C62 C61 1.3900 . ?
C61 H61 0.9500 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag1 N10 C38 N9 -2.1(8) . . . . ?
Ag1 N10 C38 C39 -177.4(8) . . . . ?
Ag1 N10 C42 C41 179.5(8) . . . . ?
Ag2 N5 C14 N4 -9.7(7) . . . . ?
Ag2 N5 C14 C15 175.0(7) . . . . ?
Ag2 N5 C18 C17 -173.8(8) . . . . ?
Ge1 N1 C1 C2 178.6(8) . . . . ?
Ge1 N1 C5 N2 0.4(9) . . . . ?
Ge1 N1 C5 C4 -179.2(8) . . . . ?
Ge1 N3 C6 N2 -16.9(9) . . . . ?
Ge1 N3 C6 C7 162.1(7) . . . . ?
Ge1 N3 C13 N4 14.0(7) . . . . ?
Ge1 N3 C13 C12 -162.3(7) . . . . ?
Ge2 N6 C25 C26 -179.2(8) . . . . ?
Ge2 N6 C29 N7 0.3(9) . . . . ?
Ge2 N6 C29 C28 179.1(8) . . . . ?
Ge2 N8 C30 N7 -19.0(10) . . . . ?
Ge2 N8 C30 C31 161.1(8) . . . . ?
Ge2 N8 C37 N9 15.7(8) . . . . ?
Ge2 N8 C37 C36 -164.1(7) . . . . ?
S1 N13 S2 O3 16.6(9) . . . . ?
S1 N13 S2 O4 154.1(8) . . . . ?
S1 N13 S2 C50 -94.2(9) . . . . ?
N1 C1 C2 C3 1.3(13) . . . . ?
N1 C5 N2 C6 8.3(12) . . . . ?
N1 C5 C4 C3 0.5(11) . . . . ?
N2 C5 C4 C3 -179.1(9) . . . . ?
N2 C6 N3 C13 -178.0(10) . . . . ?
N2 C6 C7 C8 -0.7(12) . . . . ?
N2 C6 C7 C12 177.8(10) . . . . ?
N3 C6 C7 C8 -179.9(8) . . . . ?
N3 C6 C7 C12 -1.3(8) . . . . ?
N3 C13 N4 C14 177.4(7) . . . . ?
N3 C13 C12 C7 -0.4(8) . . . . ?
N3 C13 C12 C11 -179.3(7) . . . . ?
N4 C13 C12 C7 -175.8(12) . . . . ?
N4 C13 C12 C11 5.3(15) . . . . ?
N4 C14 N5 C18 176.4(8) . . . . ?
N4 C14 C15 C16 -177.8(10) . . . . ?
N5 C14 C15 C16 -2.5(11) . . . . ?
N5 C18 C17 C16 -0.3(13) . . . . ?
N6 C25 C26 C27 0.6(13) . . . . ?
N6 C29 N7 C30 8.2(12) . . . . ?
N6 C29 C28 C27 0.8(12) . . . . ?
N7 C29 C28 C27 179.6(10) . . . . ?
N7 C30 N8 C37 -177.4(11) . . . . ?
N7 C30 C31 C32 0.6(13) . . . . ?
N7 C30 C31 C36 179.9(10) . . . . ?
N8 C30 C31 C32 -179.5(8) . . . . ?
N8 C30 C31 C36 -0.3(8) . . . . ?
N8 C37 N9 C38 -177.7(8) . . . . ?
N8 C37 C36 C31 3.7(8) . . . . ?
N8 C37 C36 C35 -177.9(8) . . . . ?
N9 C37 C36 C31 -175.9(13) . . . . ?
N9 C37 C36 C35 2.4(16) . . . . ?
N9 C38 N10 C42 173.1(9) . . . . ?
N9 C38 C39 C40 -176.3(11) . . . . ?
N10 C38 C39 C40 -0.9(12) . . . . ?
N10 C42 C41 C40 -2.7(14) . . . . ?
C1 C2 C3 C4 -2.4(13) . . . . ?
C2 C3 C4 C5 1.5(14) . . . . ?
C6 C7 C8 C9 176.5(11) . . . . ?
C6 C7 C12 C11 -179.9(7) . . . . ?
C6 C7 C12 C13 1.1(8) . . . . ?
C7 C8 C9 C10 1.9(12) . . . . ?
C7 C12 C11 C10 4.1(11) . . . . ?
C8 C9 C10 C11 1.0(14) . . . . ?
C9 C10 C11 C12 -4.1(13) . . . . ?
C10 C11 C12 C13 -177.1(8) . . . . ?
C14 C15 C16 C17 2.5(12) . . . . ?
C15 C16 C17 C18 -1.1(13) . . . . ?
C25 C26 C27 C28 -4.0(14) . . . . ?
C26 C27 C28 C29 3.3(15) . . . . ?
C30 C31 C32 C33 -178.8(12) . . . . ?
C30 C31 C36 C35 179.3(8) . . . . ?
C30 C31 C36 C37 -2.1(8) . . . . ?
C31 C32 C33 C34 -1.1(13) . . . . ?
C31 C36 C35 C34 -0.2(11) . . . . ?
C32 C33 C34 C35 -0.4(13) . . . . ?
C33 C34 C35 C36 1.1(13) . . . . ?
C34 C35 C36 C37 -178.3(9) . . . . ?
C38 C39 C40 C41 2.2(14) . . . . ?
C39 C40 C41 C42 -0.4(15) . . . . ?
S3 N14 S4 O7 21.0(13) . . . . ?
S3 N14 S4 O8 158.0(10) . . . . ?
S3 N14 S4 C52 -94.2(11) . . . . ?
C53 C54 C55 C56 2(2) . . . . ?
C53 C58 C57 C56 2(3) . . . . ?
C54 C55 C56 C57 0(2) . . . . ?
C55 C56 C57 C58 -2(2) . . . . ?
C60 C59 C64 C63 0.0(10) . . . . ?
C60 C61 C62 C63 -0.0(10) . . . . ?
C59 C64 C63 C62 -0.0(10) . . . . ?
C64 C63 C62 C61 0.0(10) . . . . ?
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.743(2)
2 0.257(2)
loop_
_restr_rigu_atom_site_label_1
_restr_rigu_atom_site_label_2
_restr_rigu_target_weight_param
_restr_rigu_u13_diff
_restr_rigu_u23_diff
_restr_rigu_u33_diff
C60 C59 0.004000 -0.008315 -0.001572 0.002849
C60 C64 0.004000 -0.013595 -0.002698 0.016979
C60 C62 0.004000 0.004986 -0.004329 0.016636
C60 C61 0.004000 0.005965 -0.006744 -0.001050
C59 C64 0.004000 -0.011078 0.000800 -0.003730
C59 C63 0.004000 -0.007926 -0.004355 0.005947
C59 C61 0.004000 -0.013921 -0.031505 0.001049
C64 C63 0.004000 -0.004195 0.003632 0.000406
C64 C62 0.004000 -0.004117 -0.011968 0.000332
C63 C62 0.004000 0.003080 0.003389 -0.001343
C63 C61 0.004000 0.003605 -0.001378 -0.005346
C62 C61 0.004000 0.013468 -0.001274 0.000994
