#------------------------------------------------------------------------------
#$Date: 2022-06-16 01:15:06 +0300 (Thu, 16 Jun 2022) $
#$Revision: 276054 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/71/1567136.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_1567136
loop_
_publ_author_name
'Townrow, Oliver P. E.'
'Duckett, Simon B.'
'Weller, Andrew S.'
'Goicoechea, Jose M.'
_publ_section_title
;
 Zintl cluster supported low coordinate Rh(i) centers for catalytic H/D
 exchange between H2 and D2
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D2SC02552C
_journal_year                    2022
_chemical_formula_moiety
'C45 H97 Ge9 P Rh Si12, C32 H12 B F24, 1.5(C6 H14)'
_chemical_formula_sum            'C86 H130 B F24 Ge9 P Rh Si12'
_chemical_formula_weight         2754.97
_chemical_name_systematic
;
 [Ge9{Si(SiMe3)}3RhH(PPh3)][B{C6H3(CF3)2}4]*1.5hex
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2022-02-28 deposited with the CCDC.	2022-06-09 downloaded from the CCDC.
;
_cell_angle_alpha                106.3130(10)
_cell_angle_beta                 96.7570(10)
_cell_angle_gamma                92.7710(10)
_cell_formula_units_Z            2
_cell_length_a                   15.0839(2)
_cell_length_b                   19.3502(3)
_cell_length_c                   21.6497(4)
_cell_measurement_reflns_used    47612
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      76.1460
_cell_measurement_theta_min      3.5990
_cell_volume                     6000.52(17)
_computing_cell_refinement       'CrysAlisPro 1.171.41.81a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.81a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.81a (Rigaku OD, 2020)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4102
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0439
_diffrn_reflns_av_unetI/netI     0.0331
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            89656
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.187
_diffrn_reflns_theta_min         3.412
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    5.511
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.50882
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.81a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.525
_exptl_crystal_description       block
_exptl_crystal_F_000             2766
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.827
_refine_diff_density_min         -0.568
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1332
_refine_ls_number_reflns         24711
_refine_ls_number_restraints     81
_refine_ls_restrained_S_all      1.201
_refine_ls_R_factor_all          0.0402
_refine_ls_R_factor_gt           0.0344
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0518P)²+2.0187P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0894
_refine_ls_wR_factor_ref         0.0936
_reflns_Friedel_coverage         0.000
_reflns_number_gt                21619
_reflns_number_total             24711
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc02552c3.cif
_cod_data_source_block           OT502
_cod_original_cell_volume        6000.51(17)
_cod_database_code               1567136
_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.
;
_shelx_estimated_absorpt_t_min   0.351
_shelx_estimated_absorpt_t_max   0.609
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-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_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
Ge1 Ge 1.13916(6) 0.33582(5) 0.35596(4) 0.03495(10) Uani 0.9581(5) 1 d D . P A 1
Ge2 Ge 1.05428(6) 0.45037(4) 0.37679(4) 0.03525(11) Uani 0.9581(5) 1 d D . P A 1
Ge3 Ge 1.10167(2) 0.35810(2) 0.24869(2) 0.03201(7) Uani 0.9581(5) 1 d D . P A 1
Ge4 Ge 1.02241(2) 0.23709(2) 0.29577(2) 0.03101(7) Uani 0.9581(5) 1 d D . P A 1
Ge5 Ge 1.01698(6) 0.34967(3) 0.43369(3) 0.03881(12) Uani 0.9581(5) 1 d D . P A 1
Ge6 Ge 0.88349(7) 0.40213(5) 0.37436(5) 0.03584(9) Uani 0.9581(5) 1 d D . P A 1
Ge7 Ge 0.94612(3) 0.40070(3) 0.26585(3) 0.03003(10) Uani 0.9581(5) 1 d D . P A 1
Ge8 Ge 0.88877(3) 0.26333(3) 0.35079(2) 0.03300(10) Uani 0.9581(5) 1 d D . P A 1
Ge9 Ge 0.84156(3) 0.28478(2) 0.24321(2) 0.03167(9) Uani 0.9581(5) 1 d D . P A 1
Rh1 Rh 0.97988(2) 0.26803(2) 0.19889(2) 0.02739(5) Uani 0.9581(5) 1 d D . P A 1
Ge1A Ge 0.9303(10) 0.3962(8) 0.2624(9) 0.03003(10) Uani 0.0419(5) 1 d D . P A 2
Ge2A Ge 0.8804(15) 0.4053(11) 0.3731(11) 0.03584(9) Uani 0.0419(5) 1 d D . P A 2
Ge3A Ge 0.8507(7) 0.2674(6) 0.2448(6) 0.03167(9) Uani 0.0419(5) 1 d D . P A 2
Ge4A Ge 1.0555(4) 0.3229(4) 0.2551(3) 0.03201(7) Uani 0.0419(5) 1 d D . P A 2
Ge5A Ge 1.0466(15) 0.4519(9) 0.3695(11) 0.03525(11) Uani 0.0419(5) 1 d D . P A 2
Ge6A Ge 1.0211(14) 0.3628(10) 0.4395(7) 0.03881(12) Uani 0.0419(5) 1 d D . P A 2
Ge7A Ge 0.9031(9) 0.2698(8) 0.3601(5) 0.03300(10) Uani 0.0419(5) 1 d D . P A 2
Ge8A Ge 1.1391(12) 0.3367(11) 0.3620(10) 0.03495(10) Uani 0.0419(5) 1 d D . P A
2
Ge9A Ge 1.0514(4) 0.2138(4) 0.3328(3) 0.03101(7) Uani 0.0419(5) 1 d D . P A 2
Rh1A Rh 0.9672(3) 0.2173(2) 0.2382(2) 0.0358(11) Uani 0.0419(5) 1 d D . P A 2
P1 P 0.99907(4) 0.15891(3) 0.12451(3) 0.02993(12) Uani 1 1 d D . . . .
Si1 Si 1.29317(4) 0.33084(4) 0.39256(4) 0.03288(14) Uani 1 1 d . . . . .
Si2 Si 1.36715(5) 0.42116(4) 0.35794(5) 0.04408(18) Uani 1 1 d . . . . .
Si3 Si 1.32236(6) 0.21392(4) 0.33472(5) 0.0499(2) Uani 1 1 d . . . . .
Si4 Si 1.31238(6) 0.35612(6) 0.50567(4) 0.0549(2) Uani 1 1 d . . . . .
C1 C 1.4902(3) 0.4243(3) 0.3828(4) 0.108(2) Uani 1 1 d . . . . .
H1A H 1.512067 0.378068 0.360949 0.163 Uiso 1 1 calc R U . . .
H1B H 1.502449 0.433195 0.429945 0.163 Uiso 1 1 calc R U . . .
H1C H 1.520743 0.463299 0.370498 0.163 Uiso 1 1 calc R U . . .
C2 C 1.3484(4) 0.4040(3) 0.2683(2) 0.0868(15) Uani 1 1 d . . . . .
H2A H 1.387465 0.438542 0.256120 0.130 Uiso 1 1 calc R U . . .
H2B H 1.285640 0.409881 0.254436 0.130 Uiso 1 1 calc R U . . .
H2C H 1.362067 0.354703 0.247096 0.130 Uiso 1 1 calc R U . . .
C3 C 1.3266(4) 0.5109(2) 0.3962(3) 0.0867(16) Uani 1 1 d . . . . .
H3A H 1.361088 0.548753 0.384898 0.130 Uiso 1 1 calc R U . . .
H3B H 1.334502 0.520403 0.443504 0.130 Uiso 1 1 calc R U . . .
H3C H 1.263007 0.510621 0.380254 0.130 Uiso 1 1 calc R U . . .
C4 C 1.4415(3) 0.2025(3) 0.3575(4) 0.149(4) Uani 1 1 d . . . . .
H4A H 1.451890 0.204030 0.403449 0.223 Uiso 1 1 calc R U . . .
H4B H 1.479146 0.241516 0.350456 0.223 Uiso 1 1 calc R U . . .
H4C H 1.456634 0.155820 0.330744 0.223 Uiso 1 1 calc R U . . .
C5 C 1.2518(3) 0.1435(2) 0.3531(3) 0.0754(13) Uani 1 1 d . . . . .
H5A H 1.263614 0.095749 0.326382 0.113 Uiso 1 1 calc R U . . .
H5B H 1.188463 0.151041 0.343575 0.113 Uiso 1 1 calc R U . . .
H5C H 1.265854 0.146348 0.399179 0.113 Uiso 1 1 calc R U . . .
C6 C 1.2933(5) 0.2045(2) 0.2458(2) 0.0981(18) Uani 1 1 d . . . . .
H6A H 1.339871 0.231293 0.231612 0.147 Uiso 1 1 calc R U . . .
H6B H 1.235554 0.224041 0.238349 0.147 Uiso 1 1 calc R U . . .
H6C H 1.289352 0.153352 0.220996 0.147 Uiso 1 1 calc R U . . .
C7 C 1.4341(3) 0.3542(5) 0.5331(2) 0.123(3) Uani 1 1 d . . . . .
H7A H 1.445489 0.370787 0.580662 0.185 Uiso 1 1 calc R U . . .
H7B H 1.469317 0.386124 0.515359 0.185 Uiso 1 1 calc R U . . .
H7C H 1.451336 0.304755 0.517658 0.185 Uiso 1 1 calc R U . . .
C8 C 1.2458(4) 0.2873(3) 0.5299(3) 0.0933(16) Uani 1 1 d . . . . .
H8A H 1.258919 0.238848 0.505552 0.140 Uiso 1 1 calc R U . . .
H8B H 1.181838 0.292765 0.520482 0.140 Uiso 1 1 calc R U . . .
H8C H 1.261594 0.293886 0.576568 0.140 Uiso 1 1 calc R U . . .
C9 C 1.2741(5) 0.4483(3) 0.5419(2) 0.1019(19) Uani 1 1 d . . . . .
H9A H 1.211284 0.449263 0.524566 0.153 Uiso 1 1 calc R U . . .
H9B H 1.311162 0.484759 0.530670 0.153 Uiso 1 1 calc R U . . .
H9C H 1.279877 0.458710 0.589233 0.153 Uiso 1 1 calc R U . . .
Si5 Si 0.91345(5) 0.48292(4) 0.20376(3) 0.03260(14) Uani 1 1 d . . . . .
Si6 Si 0.96277(5) 0.43501(4) 0.10234(4) 0.03580(15) Uani 1 1 d . . . . .
Si7 Si 0.75773(6) 0.48962(6) 0.18847(5) 0.0567(2) Uani 1 1 d . . . . .
Si8 Si 0.99589(7) 0.59192(4) 0.26357(5) 0.0544(2) Uani 1 1 d . . . . .
Si9 Si 0.81305(5) 0.18504(4) 0.39907(4) 0.03292(14) Uani 1 1 d . . . . .
C10 C 0.9290(3) 0.33566(16) 0.07199(16) 0.0503(7) Uani 1 1 d . . . . .
H10A H 0.958456 0.311550 0.102024 0.076 Uiso 1 1 calc R U . . .
H10B H 0.863851 0.327376 0.069200 0.076 Uiso 1 1 calc R U . . .
H10C H 0.947010 0.316051 0.028859 0.076 Uiso 1 1 calc R U . . .
C11 C 0.9075(2) 0.48262(18) 0.04591(16) 0.0509(7) Uani 1 1 d . . . . .
H11A H 0.926567 0.534395 0.062091 0.076 Uiso 1 1 calc R U . . .
H11B H 0.842282 0.475446 0.043565 0.076 Uiso 1 1 calc R U . . .
H11C H 0.924682 0.462954 0.002522 0.076 Uiso 1 1 calc R U . . .
C12 C 1.0876(2) 0.4480(2) 0.10593(18) 0.0530(8) Uani 1 1 d . . . . .
H12A H 1.104559 0.424870 0.063080 0.080 Uiso 1 1 calc R U . . .
H12B H 1.116810 0.426227 0.137860 0.080 Uiso 1 1 calc R U . . .
H12C H 1.106575 0.499820 0.118721 0.080 Uiso 1 1 calc R U . . .
C13 C 0.7056(3) 0.4104(3) 0.1193(3) 0.0849(15) Uani 1 1 d . . . . .
H13A H 0.715007 0.365586 0.130851 0.127 Uiso 1 1 calc R U . . .
H13B H 0.733445 0.409550 0.080460 0.127 Uiso 1 1 calc R U . . .
H13C H 0.641226 0.414829 0.110601 0.127 Uiso 1 1 calc R U . . .
C14 C 0.7103(3) 0.4862(4) 0.2638(3) 0.110(2) Uani 1 1 d . . . . .
H14A H 0.644944 0.486602 0.256422 0.166 Uiso 1 1 calc R U . . .
H14B H 0.735350 0.528360 0.299833 0.166 Uiso 1 1 calc R U . . .
H14C H 0.725628 0.441936 0.274503 0.166 Uiso 1 1 calc R U . . .
C15 C 0.7320(3) 0.5759(3) 0.1688(2) 0.0736(12) Uani 1 1 d . . . . .
H15A H 0.667128 0.576052 0.158059 0.110 Uiso 1 1 calc R U . . .
H15B H 0.761565 0.579249 0.131703 0.110 Uiso 1 1 calc R U . . .
H15C H 0.754054 0.617199 0.206558 0.110 Uiso 1 1 calc R U . . .
C16 C 1.1186(3) 0.5804(2) 0.27921(19) 0.0602(9) Uani 1 1 d . . . . .
H16A H 1.151239 0.627459 0.301624 0.090 Uiso 1 1 calc R U . . .
H16B H 1.141027 0.559811 0.237794 0.090 Uiso 1 1 calc R U . . .
H16C H 1.127630 0.547752 0.306384 0.090 Uiso 1 1 calc R U . . .
C17 C 0.9504(4) 0.6284(3) 0.3415(2) 0.0961(19) Uani 1 1 d . . . . .
H17A H 0.979792 0.676618 0.364151 0.144 Uiso 1 1 calc R U . . .
H17B H 0.961613 0.596203 0.368851 0.144 Uiso 1 1 calc R U . . .
H17C H 0.885690 0.631503 0.332551 0.144 Uiso 1 1 calc R U . . .
C18 C 0.9843(4) 0.6557(2) 0.2125(3) 0.0915(18) Uani 1 1 d . . . . .
H18A H 0.921085 0.664447 0.204463 0.137 Uiso 1 1 calc R U . . .
H18B H 1.006170 0.634500 0.171052 0.137 Uiso 1 1 calc R U . . .
H18C H 1.019486 0.701571 0.235454 0.137 Uiso 1 1 calc R U . . .
Si10 Si 0.91904(6) 0.12229(5) 0.44622(5) 0.04662(19) Uani 1 1 d . . . . .
Si11 Si 0.71394(6) 0.10731(5) 0.31203(5) 0.04640(18) Uani 1 1 d . . . . .
Si12 Si 0.73810(6) 0.26396(5) 0.47508(4) 0.04841(19) Uani 1 1 d . . . . .
C19 C 0.9908(4) 0.0737(4) 0.3871(3) 0.125(3) Uani 1 1 d . . . . .
H19A H 1.029441 0.108876 0.375361 0.187 Uiso 1 1 calc R U . . .
H19B H 0.952848 0.043538 0.348011 0.187 Uiso 1 1 calc R U . . .
H19C H 1.027911 0.043154 0.406640 0.187 Uiso 1 1 calc R U . . .
C20 C 0.8563(3) 0.0529(2) 0.4729(2) 0.0718(11) Uani 1 1 d . . . . .
H20A H 0.821499 0.017917 0.434886 0.108 Uiso 1 1 calc R U . . .
H20B H 0.815648 0.076429 0.502890 0.108 Uiso 1 1 calc R U . . .
H20C H 0.898702 0.027731 0.494834 0.108 Uiso 1 1 calc R U . . .
C21 C 0.9902(4) 0.1840(3) 0.5174(3) 0.126(3) Uani 1 1 d . . . . .
H21A H 1.031835 0.156315 0.537071 0.190 Uiso 1 1 calc R U . . .
H21B H 0.952364 0.208310 0.549321 0.190 Uiso 1 1 calc R U . . .
H21C H 1.024220 0.220191 0.503649 0.190 Uiso 1 1 calc R U . . .
C22 C 0.6469(3) 0.1593(2) 0.2655(2) 0.0636(10) Uani 1 1 d . . . . .
H22A H 0.686049 0.180926 0.241623 0.095 Uiso 1 1 calc R U . . .
H22B H 0.620025 0.197662 0.295721 0.095 Uiso 1 1 calc R U . . .
H22C H 0.599437 0.126809 0.234832 0.095 Uiso 1 1 calc R U . . .
C23 C 0.6349(3) 0.0525(3) 0.3440(3) 0.0886(17) Uani 1 1 d . . . . .
H23A H 0.596336 0.084549 0.370272 0.133 Uiso 1 1 calc R U . . .
H23B H 0.669188 0.027225 0.370915 0.133 Uiso 1 1 calc R U . . .
H23C H 0.597794 0.017123 0.307553 0.133 Uiso 1 1 calc R U . . .
C24 C 0.7807(4) 0.0453(3) 0.2570(3) 0.103(2) Uani 1 1 d . . . . .
H24A H 0.740113 0.010938 0.221911 0.154 Uiso 1 1 calc R U . . .
H24B H 0.816977 0.018763 0.281672 0.154 Uiso 1 1 calc R U . . .
H24C H 0.820097 0.073451 0.238421 0.154 Uiso 1 1 calc R U . . .
C25 C 0.6707(2) 0.3215(2) 0.4349(2) 0.0576(9) Uani 1 1 d . . . . .
H25A H 0.633670 0.349740 0.465436 0.086 Uiso 1 1 calc R U . . .
H25B H 0.632035 0.290683 0.396566 0.086 Uiso 1 1 calc R U . . .
H25C H 0.711017 0.354321 0.421735 0.086 Uiso 1 1 calc R U . . .
C26 C 0.6590(4) 0.2090(4) 0.5074(3) 0.111(2) Uani 1 1 d . . . . .
H26A H 0.692911 0.177455 0.527946 0.166 Uiso 1 1 calc R U . . .
H26B H 0.615116 0.179439 0.471586 0.166 Uiso 1 1 calc R U . . .
H26C H 0.627792 0.241425 0.539563 0.166 Uiso 1 1 calc R U . . .
C27 C 0.8183(4) 0.3239(4) 0.5420(2) 0.118(3) Uani 1 1 d . . . . .
H27A H 0.857067 0.353718 0.524559 0.177 Uiso 1 1 calc R U . . .
H27B H 0.854990 0.294575 0.563398 0.177 Uiso 1 1 calc R U . . .
H27C H 0.785266 0.355234 0.573674 0.177 Uiso 1 1 calc R U . . .
C28 C 0.91229(17) 0.14660(13) 0.05527(13) 0.0327(5) Uani 1 1 d . . . . .
C29 C 0.82379(18) 0.15649(15) 0.06667(14) 0.0387(6) Uani 1 1 d . . . . .
H29 H 0.809413 0.166019 0.109669 0.046 Uiso 1 1 calc R U . . .
C30 C 0.75701(19) 0.15253(16) 0.01591(16) 0.0436(6) Uani 1 1 d . . . . .
H30 H 0.696955 0.158791 0.024045 0.052 Uiso 1 1 calc R U . . .
C31 C 0.7777(2) 0.13947(18) -0.04660(16) 0.0499(7) Uani 1 1 d . . . . .
H31 H 0.732041 0.137444 -0.081426 0.060 Uiso 1 1 calc R U . . .
C32 C 0.8652(2) 0.1293(2) -0.05843(16) 0.0528(8) Uani 1 1 d . . . . .
H32 H 0.879260 0.120256 -0.101491 0.063 Uiso 1 1 calc R U . . .
C33 C 0.9323(2) 0.13228(16) -0.00816(14) 0.0416(6) Uani 1 1 d . . . . .
H33 H 0.991897 0.124573 -0.016802 0.050 Uiso 1 1 calc R U . . .
C34 C 0.99139(18) 0.07463(14) 0.14645(13) 0.0348(5) Uani 1 1 d . . . . .
C35 C 0.9181(2) 0.02393(15) 0.12289(17) 0.0439(6) Uani 1 1 d . . . . .
H35 H 0.870522 0.031668 0.093359 0.053 Uiso 1 1 calc R U . . .
C36 C 0.9150(3) -0.03869(18) 0.1430(2) 0.0574(9) Uani 1 1 d . . . . .
H36 H 0.864562 -0.073270 0.127654 0.069 Uiso 1 1 calc R U . . .
C37 C 0.9843(3) -0.05039(18) 0.1849(2) 0.0591(9) Uani 1 1 d . . . . .
H37 H 0.981471 -0.093182 0.198150 0.071 Uiso 1 1 calc R U . . .
C38 C 1.0579(3) -0.00093(17) 0.20797(17) 0.0519(8) Uani 1 1 d . . . . .
H38 H 1.105563 -0.009554 0.236941 0.062 Uiso 1 1 calc R U . . .
C39 C 1.0620(2) 0.06185(15) 0.18856(15) 0.0432(6) Uani 1 1 d . . . . .
H39 H 1.112839 0.095972 0.203972 0.052 Uiso 1 1 calc R U . . .
C40 C 1.10593(17) 0.15625(15) 0.09265(13) 0.0357(5) Uani 1 1 d . . . . .
C41 C 1.1567(2) 0.21980(17) 0.09751(15) 0.0431(6) Uani 1 1 d . . . . .
H41 H 1.134093 0.265165 0.114997 0.052 Uiso 1 1 calc R U . . .
C42 C 1.2410(2) 0.2170(2) 0.07667(17) 0.0538(8) Uani 1 1 d . . . . .
H42 H 1.275746 0.260634 0.080403 0.065 Uiso 1 1 calc R U . . .
C43 C 1.2737(2) 0.1521(2) 0.05096(17) 0.0545(8) Uani 1 1 d . . . . .
H43 H 1.331573 0.150634 0.037647 0.065 Uiso 1 1 calc R U . . .
C44 C 1.2225(2) 0.0882(2) 0.04428(19) 0.0571(8) Uani 1 1 d . . . . .
H44 H 1.244974 0.043126 0.025572 0.068 Uiso 1 1 calc R U . . .
C45 C 1.1390(2) 0.08996(18) 0.06474(17) 0.0473(7) Uani 1 1 d . . . . .
H45 H 1.104103 0.046098 0.059852 0.057 Uiso 1 1 calc R U . . .
B101 B 0.44443(19) 0.22948(15) 0.89122(14) 0.0302(5) Uani 1 1 d . . . . .
C101 C 0.33936(18) 0.22135(13) 0.85759(13) 0.0325(5) Uani 1 1 d . . . . .
C102 C 0.31636(19) 0.19251(14) 0.79015(14) 0.0362(5) Uani 1 1 d . . . . .
H102 H 0.362519 0.177776 0.764219 0.043 Uiso 1 1 calc R U . . .
C103 C 0.22831(19) 0.18474(15) 0.75993(14) 0.0376(6) Uani 1 1 d . . . . .
C104 C 0.15843(18) 0.20317(15) 0.79623(15) 0.0376(6) Uani 1 1 d . . . . .
H104 H 0.098216 0.197773 0.775755 0.045 Uiso 1 1 calc R U . . .
C105 C 0.17895(18) 0.22953(14) 0.86284(14) 0.0347(5) Uani 1 1 d . . . . .
C106 C 0.26764(17) 0.23861(13) 0.89292(13) 0.0329(5) Uani 1 1 d . . . . .
H106 H 0.279565 0.257127 0.938889 0.039 Uiso 1 1 calc R U . . .
C107 C 0.2084(2) 0.1578(2) 0.68723(17) 0.0541(8) Uani 1 1 d . . . . .
C108 C 0.1067(2) 0.25025(17) 0.90473(16) 0.0438(6) Uani 1 1 d . . . . .
C109 C 0.51101(17) 0.27540(13) 0.85972(13) 0.0321(5) Uani 1 1 d . . . . .
C110 C 0.60286(18) 0.28440(14) 0.88253(14) 0.0356(5) Uani 1 1 d . . . . .
H110 H 0.624071 0.264832 0.916592 0.043 Uiso 1 1 calc R U . . .
C111 C 0.66398(19) 0.32088(15) 0.85715(15) 0.0402(6) Uani 1 1 d . . . . .
C112 C 0.6358(2) 0.35173(16) 0.80867(16) 0.0457(7) Uani 1 1 d . . . . .
H112 H 0.677617 0.376089 0.790738 0.055 Uiso 1 1 calc R U . . .
C113 C 0.5456(2) 0.34618(17) 0.78710(17) 0.0471(7) Uani 1 1 d . . . . .
C114 C 0.4842(2) 0.30856(15) 0.81185(15) 0.0396(6) Uani 1 1 d . . . . .
H114 H 0.422315 0.305401 0.795664 0.047 Uiso 1 1 calc R U . . .
C115 C 0.7616(2) 0.3248(2) 0.8818(2) 0.0564(9) Uani 1 1 d . . . . .
C116 C 0.5128(3) 0.3818(3) 0.7366(3) 0.0778(14) Uani 1 1 d . . . . .
C117 C 0.45302(16) 0.27462(13) 0.96861(13) 0.0320(5) Uani 1 1 d . . . . .
C118 C 0.42514(19) 0.34515(14) 0.98460(15) 0.0383(6) Uani 1 1 d . . . . .
H118 H 0.404145 0.364797 0.950547 0.046 Uiso 1 1 calc R U . . .
C119 C 0.4273(2) 0.38660(15) 1.04809(16) 0.0426(6) Uani 1 1 d . . . . .
C120 C 0.46008(19) 0.36140(15) 1.09973(15) 0.0406(6) Uani 1 1 d . . . . .
H120 H 0.461382 0.390049 1.143422 0.049 Uiso 1 1 calc R U . . .
C121 C 0.49071(17) 0.29326(15) 1.08542(14) 0.0353(5) Uani 1 1 d . . . . .
C122 C 0.48610(16) 0.25041(13) 1.02091(13) 0.0322(5) Uani 1 1 d . . . . .
H122 H 0.506190 0.203303 1.012599 0.039 Uiso 1 1 calc R U . . .
C123 C 0.3962(3) 0.46183(19) 1.0628(2) 0.0618(10) Uani 1 1 d . . . . .
C124 C 0.5285(2) 0.26390(17) 1.13910(15) 0.0447(6) Uani 1 1 d . . . . .
C125 C 0.47323(16) 0.14624(13) 0.88063(12) 0.0297(5) Uani 1 1 d . . . . .
C126 C 0.42572(17) 0.09896(14) 0.90564(13) 0.0327(5) Uani 1 1 d . . . . .
H126 H 0.377249 0.115737 0.928491 0.039 Uiso 1 1 calc R U . . .
C127 C 0.44682(18) 0.02820(13) 0.89828(13) 0.0335(5) Uani 1 1 d . . . . .
C128 C 0.51605(18) 0.00117(13) 0.86457(14) 0.0352(5) Uani 1 1 d . . . . .
H128 H 0.531457 -0.046834 0.860204 0.042 Uiso 1 1 calc R U . . .
C129 C 0.56225(18) 0.04633(14) 0.83736(13) 0.0343(5) Uani 1 1 d . . . . .
C130 C 0.54126(17) 0.11724(13) 0.84519(13) 0.0320(5) Uani 1 1 d . . . . .
H130 H 0.574095 0.146809 0.825904 0.038 Uiso 1 1 calc R U . . .
C131 C 0.3938(2) -0.01803(15) 0.92824(16) 0.0426(6) Uani 1 1 d . . . . .
C132 C 0.6353(2) 0.01724(16) 0.79875(17) 0.0460(7) Uani 1 1 d . . . . .
F101 F 0.10931(15) 0.21695(15) 0.95131(12) 0.0699(6) Uani 1 1 d . . . . .
F102 F 0.02416(12) 0.23366(11) 0.87187(11) 0.0548(5) Uani 1 1 d . . . . .
F103 F 0.11303(15) 0.32106(12) 0.93472(12) 0.0664(6) Uani 1 1 d . . . . .
F104 F 0.1268(6) 0.1333(12) 0.6651(5) 0.133(6) Uani 0.59(3) 1 d . . P B 1
F105 F 0.2282(16) 0.2089(6) 0.6604(4) 0.116(5) Uani 0.59(3) 1 d . . P B 1
F106 F 0.2592(9) 0.1080(6) 0.6624(5) 0.097(4) Uani 0.59(3) 1 d . . P B 1
F4A F 0.1437(14) 0.1046(9) 0.6697(8) 0.116(6) Uani 0.41(3) 1 d . . P B 2
F5A F 0.1705(18) 0.2055(10) 0.6634(6) 0.104(6) Uani 0.41(3) 1 d . . P B 2
F6A F 0.2727(9) 0.1358(17) 0.6570(7) 0.121(8) Uani 0.41(3) 1 d . . P B 2
F107 F 0.7976(6) 0.2647(6) 0.8537(5) 0.098(3) Uani 0.64(3) 1 d . . P C 1
F108 F 0.8091(8) 0.3795(6) 0.8753(7) 0.095(4) Uani 0.64(3) 1 d . . P C 1
F109 F 0.7785(5) 0.3296(5) 0.9450(4) 0.080(2) Uani 0.64(3) 1 d . . P C 1
F7A F 0.7923(11) 0.2659(10) 0.8776(18) 0.127(9) Uani 0.36(3) 1 d . . P C 2
F8A F 0.8123(13) 0.353(2) 0.8469(19) 0.124(9) Uani 0.36(3) 1 d . . P C 2
F9A F 0.7801(13) 0.364(3) 0.9391(13) 0.180(14) Uani 0.36(3) 1 d . . P C 2
F110 F 0.4331(2) 0.35588(19) 0.70489(15) 0.0994(11) Uani 1 1 d . . . . .
F111 F 0.5681(2) 0.3820(3) 0.6951(2) 0.1391(18) Uani 1 1 d . . . . .
F112 F 0.5019(2) 0.45289(17) 0.7640(2) 0.1202(14) Uani 1 1 d . . . . .
F113 F 0.3498(3) 0.47446(17) 1.01284(16) 0.1408(19) Uani 1 1 d . . . . .
F114 F 0.3472(2) 0.47530(13) 1.11092(16) 0.0920(9) Uani 1 1 d . . . . .
F115 F 0.4641(2) 0.51250(12) 1.08144(19) 0.1048(11) Uani 1 1 d . . . . .
F116 F 0.47834(15) 0.20588(13) 1.14198(12) 0.0657(6) Uani 1 1 d . . . . .
F117 F 0.5377(2) 0.31166(14) 1.19744(10) 0.0803(8) Uani 1 1 d . . . . .
F118 F 0.60944(13) 0.24060(11) 1.13099(10) 0.0553(5) Uani 1 1 d . . . . .
F119 F 0.4212(2) -0.08405(11) 0.91867(15) 0.0850(9) Uani 1 1 d . . . . .
F120 F 0.30648(15) -0.02375(15) 0.90644(13) 0.0787(8) Uani 1 1 d . . . . .
F121 F 0.39888(13) 0.00943(11) 0.99223(10) 0.0521(4) Uani 1 1 d . . . . .
F122 F 0.68618(18) -0.02378(14) 0.82622(15) 0.0830(8) Uani 1 1 d . . . . .
F123 F 0.69304(13) 0.06831(11) 0.79250(11) 0.0577(5) Uani 1 1 d . . . . .
F124 F 0.60346(18) -0.02300(15) 0.73912(13) 0.0893(9) Uani 1 1 d . . . . .
C1S C 0.4901(9) 0.1481(11) 0.6385(12) 0.394(17) Uani 1 1 d D . . . .
H1S1 H 0.446412 0.183543 0.650960 0.590 Uiso 1 1 calc R U . . .
H1S2 H 0.488178 0.133359 0.591154 0.590 Uiso 1 1 calc R U . . .
H1S3 H 0.475552 0.105657 0.652868 0.590 Uiso 1 1 calc R U . . .
C2S C 0.5791(11) 0.1800(6) 0.6688(7) 0.320(14) Uani 1 1 d D . . . .
H2S1 H 0.580930 0.195524 0.716598 0.384 Uiso 1 1 calc R U . . .
H2S2 H 0.593576 0.223268 0.654790 0.384 Uiso 1 1 calc R U . . .
C3S C 0.6465(9) 0.1274(6) 0.6507(6) 0.207(7) Uani 1 1 d D . . . .
H3S1 H 0.642183 0.109744 0.602795 0.248 Uiso 1 1 calc R U . . .
H3S2 H 0.634089 0.085493 0.666994 0.248 Uiso 1 1 calc R U . . .
C4S C 0.7416(10) 0.1623(7) 0.6794(6) 0.306(15) Uani 1 1 d D . . . .
H4S1 H 0.757438 0.199650 0.658343 0.367 Uiso 1 1 calc R U . . .
H4S2 H 0.743762 0.186135 0.726472 0.367 Uiso 1 1 calc R U . . .
C5S C 0.8049(9) 0.1088(7) 0.6694(6) 0.227(7) Uani 1 1 d D . . . .
H5S1 H 0.795197 0.080580 0.622996 0.273 Uiso 1 1 calc R U . . .
H5S2 H 0.792086 0.075225 0.694937 0.273 Uiso 1 1 calc R U . . .
C6S C 0.9014(9) 0.1366(6) 0.6873(5) 0.240(8) Uani 1 1 d D . . . .
H6S1 H 0.938806 0.095827 0.678693 0.359 Uiso 1 1 calc R U . . .
H6S2 H 0.915839 0.168704 0.661432 0.359 Uiso 1 1 calc R U . . .
H6S3 H 0.912719 0.163334 0.733584 0.359 Uiso 1 1 calc R U . . .
C3T C 0.4727(11) 0.0252(16) 0.4844(16) 0.438(13) Uani 1 1 d D U . . .
H3T1 H 0.501868 0.075039 0.498904 0.526 Uiso 1 1 calc R U . . .
H3T2 H 0.466462 0.007412 0.436420 0.526 Uiso 1 1 calc R U . . .
C1T C 0.3212(11) 0.0721(11) 0.4828(11) 0.410(13) Uani 1 1 d D U . . .
H1T1 H 0.262730 0.070337 0.498113 0.616 Uiso 1 1 calc R U . . .
H1T2 H 0.349294 0.121740 0.498525 0.616 Uiso 1 1 calc R U . . .
H1T3 H 0.313031 0.056393 0.435185 0.616 Uiso 1 1 calc R U . . .
C2T C 0.3807(10) 0.0225(12) 0.5084(13) 0.383(11) Uani 1 1 d D U . . .
H2T1 H 0.352198 -0.027627 0.493031 0.460 Uiso 1 1 calc R U . . .
H2T2 H 0.388545 0.037871 0.556517 0.460 Uiso 1 1 calc R U . . .
H1 H 0.9571(6) 0.2943(4) 0.1555(3) 0.575 Uiso 0.9581(5) 1 d D U P A 1
H2 H 0.9322(8) 0.1542(5) 0.2375(4) 0.575 Uiso 0.0419(5) 1 d D U P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge -1.0885 0.8855 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 '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
_geom_angle_publ_flag
Si1 Ge1 Ge3 117.36(4) . . ?
Si1 Ge1 Ge4 130.22(4) . . ?
Ge3 Ge1 Ge4 75.70(2) . . ?
Si1 Ge1 Ge2 125.71(4) . . ?
Ge3 Ge1 Ge2 73.72(3) . . ?
Ge4 Ge1 Ge2 104.00(3) . . ?
Si1 Ge1 Ge5 122.21(4) . . ?
Ge3 Ge1 Ge5 118.78(3) . . ?
Ge4 Ge1 Ge5 77.01(3) . . ?
Ge2 Ge1 Ge5 61.57(2) . . ?
Ge1 Ge2 Ge7 92.81(3) . . ?
Ge1 Ge2 Ge5 60.01(2) . . ?
Ge7 Ge2 Ge5 100.30(3) . . ?
Ge1 Ge2 Ge6 104.29(3) . . ?
Ge7 Ge2 Ge6 59.05(2) . . ?
Ge5 Ge2 Ge6 59.67(2) . . ?
Rh1 Ge3 Ge1 101.64(2) . . ?
Rh1 Ge3 Ge7 65.288(15) . . ?
Ge1 Ge3 Ge7 96.94(3) . . ?
Rh1 Ge4 Ge8 101.248(17) . . ?
Rh1 Ge4 Ge1 102.48(2) . . ?
Ge8 Ge4 Ge1 105.61(3) . . ?
Ge1 Ge5 Ge8 97.44(3) . . ?
Ge1 Ge5 Ge2 58.42(2) . . ?
Ge8 Ge5 Ge2 103.76(3) . . ?
Ge1 Ge5 Ge6 103.96(3) . . ?
Ge8 Ge5 Ge6 58.78(2) . . ?
Ge2 Ge5 Ge6 60.81(2) . . ?
Ge8 Ge6 Ge7 91.91(3) . . ?
Ge8 Ge6 Ge5 60.19(2) . . ?
Ge7 Ge6 Ge5 100.61(3) . . ?
Ge8 Ge6 Ge2 103.85(3) . . ?
Ge7 Ge6 Ge2 59.64(2) . . ?
Ge5 Ge6 Ge2 59.53(2) . . ?
Si5 Ge7 Ge3 108.76(3) . . ?
Si5 Ge7 Ge9 118.92(3) . . ?
Ge3 Ge7 Ge9 105.50(2) . . ?
Si5 Ge7 Ge6 125.33(4) . . ?
Ge3 Ge7 Ge6 119.37(3) . . ?
Ge9 Ge7 Ge6 72.41(3) . . ?
Si5 Ge7 Ge2 117.56(3) . . ?
Ge3 Ge7 Ge2 71.33(3) . . ?
Ge9 Ge7 Ge2 120.69(3) . . ?
Ge6 Ge7 Ge2 61.31(2) . . ?
Si5 Ge7 Rh1 116.11(3) . . ?
Ge3 Ge7 Rh1 54.446(15) . . ?
Ge9 Ge7 Rh1 54.281(16) . . ?
Ge6 Ge7 Rh1 112.34(3) . . ?
Ge2 Ge7 Rh1 112.28(3) . . ?
Si9 Ge8 Ge4 125.64(3) . . ?
Si9 Ge8 Ge9 127.20(3) . . ?
Ge4 Ge8 Ge9 77.561(18) . . ?
Si9 Ge8 Ge6 127.77(3) . . ?
Ge4 Ge8 Ge6 104.09(3) . . ?
Ge9 Ge8 Ge6 73.98(3) . . ?
Si9 Ge8 Ge5 111.99(3) . . ?
Ge4 Ge8 Ge5 77.02(2) . . ?
Ge9 Ge8 Ge5 119.79(3) . . ?
Ge6 Ge8 Ge5 61.04(2) . . ?
Rh1 Ge9 Ge8 99.127(17) . . ?
Rh1 Ge9 Ge7 65.063(19) . . ?
Ge8 Ge9 Ge7 95.30(2) . . ?
P1 Rh1 Ge4 98.696(19) . . ?
P1 Rh1 Ge9 119.772(19) . . ?
Ge4 Rh1 Ge9 81.655(13) . . ?
P1 Rh1 Ge3 122.400(18) . . ?
Ge4 Rh1 Ge3 79.683(12) . . ?
Ge9 Rh1 Ge3 116.890(14) . . ?
P1 Rh1 Ge7 169.72(2) . . ?
Ge4 Rh1 Ge7 91.541(17) . . ?
Ge9 Rh1 Ge7 60.656(15) . . ?
Ge3 Rh1 Ge7 60.266(13) . . ?
P1 Rh1 H1 91.2(3) . . ?
Ge4 Rh1 H1 170.0(3) . . ?
Ge9 Rh1 H1 94.1(4) . . ?
Ge3 Rh1 H1 94.4(4) . . ?
Ge7 Rh1 H1 78.5(3) . . ?
Si5 Ge1A Ge4A 121.4(8) . . ?
Si5 Ge1A Ge2A 126.3(8) . . ?
Ge4A Ge1A Ge2A 106.0(6) . . ?
Si5 Ge1A Ge3A 132.7(7) . . ?
Ge4A Ge1A Ge3A 78.4(5) . . ?
Ge2A Ge1A Ge3A 77.3(7) . . ?
Si5 Ge1A Ge5A 109.3(7) . . ?
Ge4A Ge1A Ge5A 72.5(6) . . ?
Ge2A Ge1A Ge5A 60.8(5) . . ?
Ge3A Ge1A Ge5A 117.8(7) . . ?
Ge1A Ge2A Ge7A 91.5(7) . . ?
Ge1A Ge2A Ge5A 61.5(5) . . ?
Ge7A Ge2A Ge5A 99.0(6) . . ?
Ge1A Ge2A Ge6A 103.9(7) . . ?
Ge7A Ge2A Ge6A 57.7(5) . . ?
Ge5A Ge2A Ge6A 59.0(5) . . ?
Rh1A Ge3A Ge7A 76.5(4) . . ?
Rh1A Ge3A Ge1A 93.9(5) . . ?
Ge7A Ge3A Ge1A 92.0(6) . . ?
Rh1A Ge4A Ge1A 93.7(4) . . ?
Rh1A Ge4A Ge8A 101.9(5) . . ?
Ge1A Ge4A Ge8A 111.4(7) . . ?
Ge6A Ge5A Ge2A 61.9(6) . . ?
Ge6A Ge5A Ge1A 103.2(6) . . ?
Ge2A Ge5A Ge1A 57.7(5) . . ?
Ge6A Ge5A Ge8A 57.8(5) . . ?
Ge2A Ge5A Ge8A 104.6(7) . . ?
Ge1A Ge5A Ge8A 97.6(7) . . ?
Ge8A Ge6A Ge7A 93.1(6) . . ?
Ge8A Ge6A Ge5A 61.6(5) . . ?
Ge7A Ge6A Ge5A 100.0(6) . . ?
Ge8A Ge6A Ge2A 105.3(7) . . ?
Ge7A Ge6A Ge2A 58.9(5) . . ?
Ge5A Ge6A Ge2A 59.1(5) . . ?
Si9 Ge7A Ge3A 113.6(5) . . ?
Si9 Ge7A Ge6A 120.3(6) . . ?
Ge3A Ge7A Ge6A 125.4(7) . . ?
Si9 Ge7A Ge9A 108.1(6) . . ?
Ge3A Ge7A Ge9A 93.9(4) . . ?
Ge6A Ge7A Ge9A 77.8(6) . . ?
Si9 Ge7A Ge2A 127.1(7) . . ?
Ge3A Ge7A Ge2A 78.4(7) . . ?
Ge6A Ge7A Ge2A 63.4(5) . . ?
Ge9A Ge7A Ge2A 122.8(6) . . ?
Si9 Ge7A Rh1A 118.6(5) . . ?
Ge3A Ge7A Rh1A 44.3(3) . . ?
Ge6A Ge7A Rh1A 109.6(6) . . ?
Ge9A Ge7A Rh1A 49.7(2) . . ?
Ge2A Ge7A Rh1A 105.5(6) . . ?
Si1 Ge8A Ge4A 130.1(10) . . ?
Si1 Ge8A Ge9A 112.2(8) . . ?
Ge4A Ge8A Ge9A 75.5(5) . . ?
Si1 Ge8A Ge6A 125.5(9) . . ?
Ge4A Ge8A Ge6A 104.4(7) . . ?
Ge9A Ge8A Ge6A 78.8(7) . . ?
Si1 Ge8A Ge5A 129.5(9) . . ?
Ge4A Ge8A Ge5A 72.0(7) . . ?
Ge9A Ge8A Ge5A 117.7(7) . . ?
Ge6A Ge8A Ge5A 60.6(5) . . ?
Rh1A Ge9A Ge8A 98.8(5) . . ?
Rh1A Ge9A Ge7A 71.0(3) . . ?
Ge8A Ge9A Ge7A 92.9(6) . . ?
Ge3A Rh1A Ge4A 94.0(4) . . ?
Ge3A Rh1A Ge9A 118.2(4) . . ?
Ge4A Rh1A Ge9A 83.1(3) . . ?
Ge3A Rh1A P1 115.4(4) . . ?
Ge4A Rh1A P1 96.5(2) . . ?
Ge9A Rh1A P1 126.3(3) . . ?
Ge3A Rh1A Ge7A 59.1(4) . . ?
Ge4A Rh1A Ge7A 91.9(4) . . ?
Ge9A Rh1A Ge7A 59.3(3) . . ?
P1 Rh1A Ge7A 170.5(3) . . ?
Ge3A Rh1A H2 96.0(6) . . ?
Ge4A Rh1A H2 166.8(6) . . ?
Ge9A Rh1A H2 84.5(5) . . ?
P1 Rh1A H2 87.1(4) . . ?
Ge7A Rh1A H2 85.8(5) . . ?
C28 P1 C40 106.38(12) . . ?
C28 P1 C34 105.31(12) . . ?
C40 P1 C34 102.36(12) . . ?
C28 P1 Rh1 106.66(8) . . ?
C40 P1 Rh1 114.37(9) . . ?
C34 P1 Rh1 120.68(9) . . ?
C28 P1 Rh1A 120.51(13) . . ?
C40 P1 Rh1A 128.70(14) . . ?
C34 P1 Rh1A 85.17(13) . . ?
Si4 Si1 Si3 115.69(5) . . ?
Si4 Si1 Ge8A 105.6(5) . . ?
Si3 Si1 Ge8A 104.6(5) . . ?
Si4 Si1 Si2 112.33(5) . . ?
Si3 Si1 Si2 112.16(4) . . ?
Ge8A Si1 Si2 105.3(5) . . ?
Si4 Si1 Ge1 108.59(4) . . ?
Si3 Si1 Ge1 103.19(4) . . ?
Si2 Si1 Ge1 103.65(4) . . ?
C2 Si2 C1 107.4(3) . . ?
C2 Si2 C3 108.2(3) . . ?
C1 Si2 C3 109.4(3) . . ?
C2 Si2 Si1 112.92(15) . . ?
C1 Si2 Si1 109.27(17) . . ?
C3 Si2 Si1 109.64(15) . . ?
C4 Si3 C5 109.1(3) . . ?
C4 Si3 C6 112.9(4) . . ?
C5 Si3 C6 107.2(3) . . ?
C4 Si3 Si1 108.13(16) . . ?
C5 Si3 Si1 111.98(15) . . ?
C6 Si3 Si1 107.59(15) . . ?
C8 Si4 C7 109.9(3) . . ?
C8 Si4 C9 109.6(3) . . ?
C7 Si4 C9 110.6(3) . . ?
C8 Si4 Si1 110.24(19) . . ?
C7 Si4 Si1 107.59(17) . . ?
C9 Si4 Si1 108.79(17) . . ?
Si2 C1 H1A 109.5 . . ?
Si2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
Si2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Si2 C2 H2A 109.5 . . ?
Si2 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
Si2 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si2 C3 H3A 109.5 . . ?
Si2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
Si2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si3 C4 H4A 109.5 . . ?
Si3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
Si3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si3 C5 H5A 109.5 . . ?
Si3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
Si3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si3 C6 H6A 109.5 . . ?
Si3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si4 C7 H7A 109.5 . . ?
Si4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si4 C8 H8A 109.5 . . ?
Si4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si4 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si4 C9 H9A 109.5 . . ?
Si4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si8 Si5 Si7 114.55(5) . . ?
Si8 Si5 Si6 111.76(5) . . ?
Si7 Si5 Si6 109.38(4) . . ?
Si8 Si5 Ge1A 109.6(4) . . ?
Si7 Si5 Ge1A 103.1(4) . . ?
Si6 Si5 Ge1A 107.9(4) . . ?
Si8 Si5 Ge7 104.96(4) . . ?
Si7 Si5 Ge7 108.71(4) . . ?
Si6 Si5 Ge7 107.09(4) . . ?
C10 Si6 C11 110.48(16) . . ?
C10 Si6 C12 107.82(17) . . ?
C11 Si6 C12 109.30(16) . . ?
C10 Si6 Si5 109.37(12) . . ?
C11 Si6 Si5 106.88(12) . . ?
C12 Si6 Si5 113.01(12) . . ?
C14 Si7 C13 108.8(3) . . ?
C14 Si7 C15 110.0(2) . . ?
C13 Si7 C15 109.4(2) . . ?
C14 Si7 Si5 109.78(16) . . ?
C13 Si7 Si5 109.09(15) . . ?
C15 Si7 Si5 109.82(15) . . ?
C17 Si8 C18 110.9(3) . . ?
C17 Si8 C16 110.6(2) . . ?
C18 Si8 C16 107.0(2) . . ?
C17 Si8 Si5 109.3(2) . . ?
C18 Si8 Si5 107.09(15) . . ?
C16 Si8 Si5 111.89(12) . . ?
Si12 Si9 Si10 113.58(4) . . ?
Si12 Si9 Si11 112.68(4) . . ?
Si10 Si9 Si11 112.54(4) . . ?
Si12 Si9 Ge8 103.53(4) . . ?
Si10 Si9 Ge8 109.30(4) . . ?
Si11 Si9 Ge8 104.33(4) . . ?
Si12 Si9 Ge7A 102.0(3) . . ?
Si10 Si9 Ge7A 104.8(3) . . ?
Si11 Si9 Ge7A 110.4(3) . . ?
Si6 C10 H10A 109.5 . . ?
Si6 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si6 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si6 C11 H11A 109.5 . . ?
Si6 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si6 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si6 C12 H12A 109.5 . . ?
Si6 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si6 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si7 C13 H13A 109.5 . . ?
Si7 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si7 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si7 C14 H14A 109.5 . . ?
Si7 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si7 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si7 C15 H15A 109.5 . . ?
Si7 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si7 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si8 C16 H16A 109.5 . . ?
Si8 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si8 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si8 C17 H17A 109.5 . . ?
Si8 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si8 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si8 C18 H18A 109.5 . . ?
Si8 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si8 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C21 Si10 C19 109.6(4) . . ?
C21 Si10 C20 109.0(3) . . ?
C19 Si10 C20 107.2(3) . . ?
C21 Si10 Si9 111.18(16) . . ?
C19 Si10 Si9 112.04(16) . . ?
C20 Si10 Si9 107.76(14) . . ?
C24 Si11 C22 109.5(3) . . ?
C24 Si11 C23 109.1(3) . . ?
C22 Si11 C23 108.5(2) . . ?
C24 Si11 Si9 108.65(17) . . ?
C22 Si11 Si9 111.30(13) . . ?
C23 Si11 Si9 109.80(17) . . ?
C27 Si12 C25 108.2(3) . . ?
C27 Si12 C26 110.6(3) . . ?
C25 Si12 C26 108.0(2) . . ?
C27 Si12 Si9 111.14(16) . . ?
C25 Si12 Si9 109.98(13) . . ?
C26 Si12 Si9 108.78(19) . . ?
Si10 C19 H19A 109.5 . . ?
Si10 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si10 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si10 C20 H20A 109.5 . . ?
Si10 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si10 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si10 C21 H21A 109.5 . . ?
Si10 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si10 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si11 C22 H22A 109.5 . . ?
Si11 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si11 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si11 C23 H23A 109.5 . . ?
Si11 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si11 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si11 C24 H24A 109.5 . . ?
Si11 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si11 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si12 C25 H25A 109.5 . . ?
Si12 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si12 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si12 C26 H26A 109.5 . . ?
Si12 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si12 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si12 C27 H27A 109.5 . . ?
Si12 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
Si12 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C33 C28 C29 119.0(3) . . ?
C33 C28 P1 122.0(2) . . ?
C29 C28 P1 118.8(2) . . ?
C30 C29 C28 120.6(3) . . ?
C30 C29 H29 119.7 . . ?
C28 C29 H29 119.7 . . ?
C31 C30 C29 120.0(3) . . ?
C31 C30 H30 120.0 . . ?
C29 C30 H30 120.0 . . ?
C30 C31 C32 119.9(3) . . ?
C30 C31 H31 120.1 . . ?
C32 C31 H31 120.1 . . ?
C33 C32 C31 120.6(3) . . ?
C33 C32 H32 119.7 . . ?
C31 C32 H32 119.7 . . ?
C32 C33 C28 119.9(3) . . ?
C32 C33 H33 120.0 . . ?
C28 C33 H33 120.0 . . ?
C35 C34 C39 119.8(3) . . ?
C35 C34 P1 122.1(2) . . ?
C39 C34 P1 118.1(2) . . ?
C34 C35 C36 119.4(3) . . ?
C34 C35 H35 120.3 . . ?
C36 C35 H35 120.3 . . ?
C37 C36 C35 120.3(3) . . ?
C37 C36 H36 119.8 . . ?
C35 C36 H36 119.8 . . ?
C36 C37 C38 120.9(3) . . ?
C36 C37 H37 119.6 . . ?
C38 C37 H37 119.6 . . ?
C37 C38 C39 119.6(3) . . ?
C37 C38 H38 120.2 . . ?
C39 C38 H38 120.2 . . ?
C38 C39 C34 120.0(3) . . ?
C38 C39 H39 120.0 . . ?
C34 C39 H39 120.0 . . ?
C41 C40 C45 119.2(3) . . ?
C41 C40 P1 120.5(2) . . ?
C45 C40 P1 120.3(2) . . ?
C40 C41 C42 120.0(3) . . ?
C40 C41 H41 120.0 . . ?
C42 C41 H41 120.0 . . ?
C43 C42 C41 120.5(3) . . ?
C43 C42 H42 119.8 . . ?
C41 C42 H42 119.8 . . ?
C42 C43 C44 120.0(3) . . ?
C42 C43 H43 120.0 . . ?
C44 C43 H43 120.0 . . ?
C45 C44 C43 120.3(3) . . ?
C45 C44 H44 119.9 . . ?
C43 C44 H44 119.9 . . ?
C44 C45 C40 120.1(3) . . ?
C44 C45 H45 120.0 . . ?
C40 C45 H45 120.0 . . ?
C109 B101 C117 105.6(2) . . ?
C109 B101 C101 112.9(2) . . ?
C117 B101 C101 109.9(2) . . ?
C109 B101 C125 111.0(2) . . ?
C117 B101 C125 111.9(2) . . ?
C101 B101 C125 105.7(2) . . ?
C106 C101 C102 115.7(2) . . ?
C106 C101 B101 123.7(2) . . ?
C102 C101 B101 120.6(2) . . ?
C103 C102 C101 122.3(3) . . ?
C103 C102 H102 118.9 . . ?
C101 C102 H102 118.9 . . ?
C104 C103 C102 120.7(3) . . ?
C104 C103 C107 119.4(3) . . ?
C102 C103 C107 119.9(3) . . ?
C105 C104 C103 118.1(3) . . ?
C105 C104 H104 120.9 . . ?
C103 C104 H104 120.9 . . ?
C104 C105 C106 121.0(3) . . ?
C104 C105 C108 120.7(3) . . ?
C106 C105 C108 118.3(3) . . ?
C105 C106 C101 122.1(3) . . ?
C105 C106 H106 118.9 . . ?
C101 C106 H106 118.9 . . ?
F104 C107 F106 107.7(9) . . ?
F6A C107 F5A 109.3(10) . . ?
F104 C107 F105 107.3(8) . . ?
F106 C107 F105 102.5(8) . . ?
F6A C107 F4A 107.3(13) . . ?
F5A C107 F4A 100.7(10) . . ?
F6A C107 C103 116.8(7) . . ?
F104 C107 C103 114.8(6) . . ?
F106 C107 C103 112.4(6) . . ?
F5A C107 C103 111.3(6) . . ?
F105 C107 C103 111.3(5) . . ?
F4A C107 C103 110.2(8) . . ?
F103 C108 F102 106.3(2) . . ?
F103 C108 F101 106.6(3) . . ?
F102 C108 F101 105.7(3) . . ?
F103 C108 C105 112.2(2) . . ?
F102 C108 C105 113.4(3) . . ?
F101 C108 C105 112.1(2) . . ?
C114 C109 C110 115.6(2) . . ?
C114 C109 B101 125.5(2) . . ?
C110 C109 B101 118.8(2) . . ?
C111 C110 C109 122.3(3) . . ?
C111 C110 H110 118.8 . . ?
C109 C110 H110 118.8 . . ?
C112 C111 C110 120.8(3) . . ?
C112 C111 C115 120.2(3) . . ?
C110 C111 C115 119.0(3) . . ?
C113 C112 C111 118.2(3) . . ?
C113 C112 H112 120.9 . . ?
C111 C112 H112 120.9 . . ?
C112 C113 C114 121.1(3) . . ?
C112 C113 C116 119.3(3) . . ?
C114 C113 C116 119.6(3) . . ?
C113 C114 C109 121.9(3) . . ?
C113 C114 H114 119.1 . . ?
C109 C114 H114 119.1 . . ?
F7A C115 F9A 109.0(18) . . ?
F108 C115 F107 108.6(8) . . ?
F7A C115 F8A 102.3(14) . . ?
F9A C115 F8A 105.9(14) . . ?
F108 C115 F109 104.8(7) . . ?
F107 C115 F109 102.9(6) . . ?
F7A C115 C111 115.1(9) . . ?
F9A C115 C111 112.0(11) . . ?
F108 C115 C111 114.5(6) . . ?
F107 C115 C111 111.4(5) . . ?
F8A C115 C111 111.7(10) . . ?
F109 C115 C111 113.8(5) . . ?
F111 C116 F110 109.0(5) . . ?
F111 C116 F112 104.6(4) . . ?
F110 C116 F112 103.0(4) . . ?
F111 C116 C113 113.6(4) . . ?
F110 C116 C113 114.4(3) . . ?
F112 C116 C113 111.3(4) . . ?
C122 C117 C118 115.8(2) . . ?
C122 C117 B101 126.5(2) . . ?
C118 C117 B101 117.7(2) . . ?
C119 C118 C117 122.1(3) . . ?
C119 C118 H118 118.9 . . ?
C117 C118 H118 118.9 . . ?
C118 C119 C120 121.3(3) . . ?
C118 C119 C123 120.2(3) . . ?
C120 C119 C123 118.5(3) . . ?
C121 C120 C119 117.8(3) . . ?
C121 C120 H120 121.1 . . ?
C119 C120 H120 121.1 . . ?
C120 C121 C122 120.8(3) . . ?
C120 C121 C124 120.1(3) . . ?
C122 C121 C124 119.1(2) . . ?
C117 C122 C121 122.1(2) . . ?
C117 C122 H122 118.9 . . ?
C121 C122 H122 118.9 . . ?
F113 C123 F114 107.8(4) . . ?
F113 C123 F115 105.4(4) . . ?
F114 C123 F115 105.4(3) . . ?
F113 C123 C119 113.3(3) . . ?
F114 C123 C119 112.1(3) . . ?
F115 C123 C119 112.2(3) . . ?
F117 C124 F118 106.1(3) . . ?
F117 C124 F116 107.3(3) . . ?
F118 C124 F116 104.5(3) . . ?
F117 C124 C121 113.6(3) . . ?
F118 C124 C121 112.3(3) . . ?
F116 C124 C121 112.4(3) . . ?
C126 C125 C130 115.9(2) . . ?
C126 C125 B101 119.7(2) . . ?
C130 C125 B101 124.3(2) . . ?
C127 C126 C125 122.3(2) . . ?
C127 C126 H126 118.8 . . ?
C125 C126 H126 118.8 . . ?
C128 C127 C126 120.8(2) . . ?
C128 C127 C131 120.5(2) . . ?
C126 C127 C131 118.7(2) . . ?
C127 C128 C129 117.9(2) . . ?
C127 C128 H128 121.0 . . ?
C129 C128 H128 121.0 . . ?
C128 C129 C130 121.1(2) . . ?
C128 C129 C132 118.7(2) . . ?
C130 C129 C132 120.2(3) . . ?
C129 C130 C125 121.9(2) . . ?
C129 C130 H130 119.0 . . ?
C125 C130 H130 119.0 . . ?
F121 C131 F119 105.7(3) . . ?
F121 C131 F120 104.6(3) . . ?
F119 C131 F120 108.7(3) . . ?
F121 C131 C127 112.5(2) . . ?
F119 C131 C127 113.0(3) . . ?
F120 C131 C127 111.8(3) . . ?
F124 C132 F123 106.6(3) . . ?
F124 C132 F122 106.9(3) . . ?
F123 C132 F122 104.5(3) . . ?
F124 C132 C129 112.1(3) . . ?
F123 C132 C129 113.7(2) . . ?
F122 C132 C129 112.4(3) . . ?
C2S C1S H1S1 109.5 . . ?
C2S C1S H1S2 109.5 . . ?
H1S1 C1S H1S2 109.5 . . ?
C2S C1S H1S3 109.5 . . ?
H1S1 C1S H1S3 109.5 . . ?
H1S2 C1S H1S3 109.5 . . ?
C1S C2S C3S 110.6(12) . . ?
C1S C2S H2S1 109.5 . . ?
C3S C2S H2S1 109.5 . . ?
C1S C2S H2S2 109.5 . . ?
C3S C2S H2S2 109.5 . . ?
H2S1 C2S H2S2 108.1 . . ?
C2S C3S C4S 110.9(11) . . ?
C2S C3S H3S1 109.5 . . ?
C4S C3S H3S1 109.5 . . ?
C2S C3S H3S2 109.5 . . ?
C4S C3S H3S2 109.5 . . ?
H3S1 C3S H3S2 108.1 . . ?
C5S C4S C3S 110.4(11) . . ?
C5S C4S H4S1 109.6 . . ?
C3S C4S H4S1 109.6 . . ?
C5S C4S H4S2 109.6 . . ?
C3S C4S H4S2 109.6 . . ?
H4S1 C4S H4S2 108.1 . . ?
C4S C5S C6S 116.0(11) . . ?
C4S C5S H5S1 108.3 . . ?
C6S C5S H5S1 108.3 . . ?
C4S C5S H5S2 108.3 . . ?
C6S C5S H5S2 108.3 . . ?
H5S1 C5S H5S2 107.4 . . ?
C5S C6S H6S1 109.5 . . ?
C5S C6S H6S2 109.5 . . ?
H6S1 C6S H6S2 109.5 . . ?
C5S C6S H6S3 109.5 . . ?
H6S1 C6S H6S3 109.5 . . ?
H6S2 C6S H6S3 109.5 . . ?
C2T C3T C3T 104.4(14) . 2_656 ?
C2T C3T H3T1 110.9 . . ?
C3T C3T H3T1 110.9 2_656 . ?
C2T C3T H3T2 110.9 . . ?
C3T C3T H3T2 110.9 2_656 . ?
H3T1 C3T H3T2 108.9 . . ?
C2T C1T H1T1 109.5 . . ?
C2T C1T H1T2 109.5 . . ?
H1T1 C1T H1T2 109.5 . . ?
C2T C1T H1T3 109.5 . . ?
H1T1 C1T H1T3 109.5 . . ?
H1T2 C1T H1T3 109.5 . . ?
C1T C2T C3T 109.6(11) . . ?
C1T C2T H2T1 109.7 . . ?
C3T C2T H2T1 109.7 . . ?
C1T C2T H2T2 109.7 . . ?
C3T C2T H2T2 109.7 . . ?
H2T1 C2T H2T2 108.2 . . ?
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
Ge1 Si1 2.3803(10) . ?
Ge1 Ge3 2.4850(9) . ?
Ge1 Ge4 2.4870(8) . ?
Ge1 Ge2 2.5698(8) . ?
Ge1 Ge5 2.6124(9) . ?
Ge2 Ge7 2.6427(7) . ?
Ge2 Ge5 2.6526(8) . ?
Ge2 Ge6 2.6868(9) . ?
Ge3 Rh1 2.3965(3) . ?
Ge3 Ge7 2.5578(6) . ?
Ge4 Rh1 2.3653(4) . ?
Ge4 Ge8 2.4626(6) . ?
Ge5 Ge8 2.6342(7) . ?
Ge5 Ge6 2.6564(8) . ?
Ge6 Ge8 2.5963(8) . ?
Ge6 Ge7 2.6269(9) . ?
Ge7 Si5 2.3877(9) . ?
Ge7 Ge9 2.5724(6) . ?
Ge7 Rh1 2.6759(7) . ?
Ge8 Si9 2.3864(9) . ?
Ge8 Ge9 2.5070(6) . ?
Ge9 Rh1 2.3959(5) . ?
Rh1 P1 2.3225(6) . ?
Rh1 H1 1.211(8) . ?
Ge1A Si5 2.377(16) . ?
Ge1A Ge4A 2.410(15) . ?
Ge1A Ge2A 2.558(18) . ?
Ge1A Ge3A 2.621(15) . ?
Ge1A Ge5A 2.659(17) . ?
Ge2A Ge7A 2.601(17) . ?
Ge2A Ge5A 2.640(18) . ?
Ge2A Ge6A 2.714(18) . ?
Ge3A Rh1A 2.048(10) . ?
Ge3A Ge7A 2.515(14) . ?
Ge4A Rh1A 2.298(8) . ?
Ge4A Ge8A 2.439(17) . ?
Ge5A Ge6A 2.637(18) . ?
Ge5A Ge8A 2.662(18) . ?
Ge6A Ge8A 2.560(18) . ?
Ge6A Ge7A 2.568(16) . ?
Ge7A Si9 2.465(15) . ?
Ge7A Ge9A 2.591(13) . ?
Ge7A Rh1A 2.850(11) . ?
Ge8A Si1 2.357(18) . ?
Ge8A Ge9A 2.543(17) . ?
Ge9A Rh1A 2.300(7) . ?
Rh1A P1 2.517(5) . ?
Rh1A H2 1.302(8) . ?
P1 C28 1.823(3) . ?
P1 C40 1.824(3) . ?
P1 C34 1.824(3) . ?
Si1 Si4 2.3380(12) . ?
Si1 Si3 2.3484(10) . ?
Si1 Si2 2.3676(11) . ?
Si2 C2 1.859(5) . ?
Si2 C1 1.864(4) . ?
Si2 C3 1.868(4) . ?
Si3 C4 1.847(4) . ?
Si3 C5 1.848(4) . ?
Si3 C6 1.879(5) . ?
Si4 C8 1.856(5) . ?
Si4 C7 1.867(4) . ?
Si4 C9 1.884(5) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
Si5 Si8 2.3463(11) . ?
Si5 Si7 2.3482(11) . ?
Si5 Si6 2.3541(11) . ?
Si6 C10 1.872(3) . ?
Si6 C11 1.872(3) . ?
Si6 C12 1.877(3) . ?
Si7 C14 1.872(5) . ?
Si7 C13 1.877(5) . ?
Si7 C15 1.881(4) . ?
Si8 C17 1.862(5) . ?
Si8 C18 1.875(4) . ?
Si8 C16 1.878(4) . ?
Si9 Si12 2.3476(11) . ?
Si9 Si10 2.3606(10) . ?
Si9 Si11 2.3613(11) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
Si10 C21 1.846(5) . ?
Si10 C19 1.855(5) . ?
Si10 C20 1.864(4) . ?
Si11 C24 1.863(5) . ?
Si11 C22 1.865(4) . ?
Si11 C23 1.873(4) . ?
Si12 C27 1.848(5) . ?
Si12 C25 1.863(4) . ?
Si12 C26 1.881(5) . ?
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 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C33 1.395(4) . ?
C28 C29 1.398(4) . ?
C29 C30 1.383(4) . ?
C29 H29 0.9500 . ?
C30 C31 1.381(5) . ?
C30 H30 0.9500 . ?
C31 C32 1.388(5) . ?
C31 H31 0.9500 . ?
C32 C33 1.382(4) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C34 C35 1.388(4) . ?
C34 C39 1.396(4) . ?
C35 C36 1.399(5) . ?
C35 H35 0.9500 . ?
C36 C37 1.372(6) . ?
C36 H36 0.9500 . ?
C37 C38 1.377(5) . ?
C37 H37 0.9500 . ?
C38 C39 1.394(4) . ?
C38 H38 0.9500 . ?
C39 H39 0.9500 . ?
C40 C41 1.388(4) . ?
C40 C45 1.399(4) . ?
C41 C42 1.397(4) . ?
C41 H41 0.9500 . ?
C42 C43 1.366(5) . ?
C42 H42 0.9500 . ?
C43 C44 1.387(5) . ?
C43 H43 0.9500 . ?
C44 C45 1.382(4) . ?
C44 H44 0.9500 . ?
C45 H45 0.9500 . ?
B101 C109 1.636(4) . ?
B101 C117 1.644(4) . ?
B101 C101 1.645(4) . ?
B101 C125 1.649(3) . ?
C101 C106 1.398(4) . ?
C101 C102 1.403(4) . ?
C102 C103 1.391(4) . ?
C102 H102 0.9500 . ?
C103 C104 1.389(4) . ?
C103 C107 1.501(4) . ?
C104 C105 1.379(4) . ?
C104 H104 0.9500 . ?
C105 C106 1.397(4) . ?
C105 C108 1.497(4) . ?
C106 H106 0.9500 . ?
C107 F6A 1.258(13) . ?
C107 F104 1.283(9) . ?
C107 F106 1.297(10) . ?
C107 F5A 1.303(12) . ?
C107 F105 1.320(9) . ?
C107 F4A 1.323(13) . ?
C108 F103 1.335(4) . ?
C108 F102 1.335(4) . ?
C108 F101 1.338(4) . ?
C109 C114 1.396(4) . ?
C109 C110 1.401(4) . ?
C110 C111 1.387(4) . ?
C110 H110 0.9500 . ?
C111 C112 1.382(4) . ?
C111 C115 1.497(4) . ?
C112 C113 1.375(5) . ?
C112 H112 0.9500 . ?
C113 C114 1.395(4) . ?
C113 C116 1.497(5) . ?
C114 H114 0.9500 . ?
C115 F7A 1.235(17) . ?
C115 F9A 1.25(2) . ?
C115 F108 1.299(10) . ?
C115 F107 1.326(9) . ?
C115 F8A 1.34(2) . ?
C115 F109 1.337(9) . ?
C116 F111 1.296(6) . ?
C116 F110 1.313(5) . ?
C116 F112 1.364(7) . ?
C117 C122 1.392(4) . ?
C117 C118 1.408(4) . ?
C118 C119 1.379(4) . ?
C118 H118 0.9500 . ?
C119 C120 1.390(5) . ?
C119 C123 1.510(4) . ?
C120 C121 1.382(4) . ?
C120 H120 0.9500 . ?
C121 C122 1.401(4) . ?
C121 C124 1.498(4) . ?
C122 H122 0.9500 . ?
C123 F113 1.307(5) . ?
C123 F114 1.322(5) . ?
C123 F115 1.325(5) . ?
C124 F117 1.326(4) . ?
C124 F118 1.336(4) . ?
C124 F116 1.343(4) . ?
C125 C126 1.396(4) . ?
C125 C130 1.399(4) . ?
C126 C127 1.390(4) . ?
C126 H126 0.9500 . ?
C127 C128 1.384(4) . ?
C127 C131 1.496(4) . ?
C128 C129 1.387(4) . ?
C128 H128 0.9500 . ?
C129 C130 1.391(4) . ?
C129 C132 1.498(4) . ?
C130 H130 0.9500 . ?
C131 F121 1.329(4) . ?
C131 F119 1.329(3) . ?
C131 F120 1.334(4) . ?
C132 F124 1.326(4) . ?
C132 F123 1.331(4) . ?
C132 F122 1.337(4) . ?
C1S C2S 1.449(15) . ?
C1S H1S1 0.9800 . ?
C1S H1S2 0.9800 . ?
C1S H1S3 0.9800 . ?
C2S C3S 1.480(12) . ?
C2S H2S1 0.9900 . ?
C2S H2S2 0.9900 . ?
C3S C4S 1.536(14) . ?
C3S H3S1 0.9900 . ?
C3S H3S2 0.9900 . ?
C4S C5S 1.431(13) . ?
C4S H4S1 0.9900 . ?
C4S H4S2 0.9900 . ?
C5S C6S 1.493(12) . ?
C5S H5S1 0.9900 . ?
C5S H5S2 0.9900 . ?
C6S H6S1 0.9800 . ?
C6S H6S2 0.9800 . ?
C6S H6S3 0.9800 . ?
C3T C2T 1.542(15) . ?
C3T C3T 1.548(17) 2_656 ?
C3T H3T1 0.9900 . ?
C3T H3T2 0.9900 . ?
C1T C2T 1.518(13) . ?
C1T H1T1 0.9800 . ?
C1T H1T2 0.9800 . ?
C1T H1T3 0.9800 . ?
C2T H2T1 0.9900 . ?
C2T H2T2 0.9900 . ?
