#------------------------------------------------------------------------------
#$Date: 2022-06-16 01:15:06 +0300 (Thu, 16 Jun 2022) $
#$Revision: 276054 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/71/1567139.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_1567139
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         'C37 H93 Ge9 Rh Si12 W'
_chemical_formula_sum            'C37 H93 Ge9 Rh Si12 W'
_chemical_formula_weight         1815.26
_chemical_name_systematic
;
 Ge9{Si(SiMe3)}3RhH2W(Cp)2
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_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                90
_cell_angle_beta                 101.5750(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.27830(10)
_cell_length_b                   25.64300(10)
_cell_length_c                   19.84610(10)
_cell_measurement_reflns_used    123473
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      76.4680
_cell_measurement_theta_min      3.8540
_cell_volume                     7118.64(7)
_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 10.5035
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_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  0.0545
_diffrn_reflns_av_unetI/netI     0.0172
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            196412
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.490
_diffrn_reflns_theta_min         3.599
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    11.032
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.65893
_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            black
_exptl_crystal_density_diffrn    1.694
_exptl_crystal_description       block
_exptl_crystal_F_000             3560
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.971
_refine_diff_density_min         -0.776
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     668
_refine_ls_number_reflns         14900
_refine_ls_number_restraints     157
_refine_ls_restrained_S_all      1.117
_refine_ls_R_factor_all          0.0252
_refine_ls_R_factor_gt           0.0244
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0332P)²+7.5677P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0623
_refine_ls_wR_factor_ref         0.0629
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14470
_reflns_number_total             14900
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc02552c3.cif
_cod_data_source_block           OT445
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1567139
_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   0.241
_shelx_estimated_absorpt_t_max   0.405
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.14956(3) 0.57978(2) 0.56040(2) 0.03417(8) Uani 0.8491(8) 1 d D . P A 1
Rh1 Rh 0.16275(2) 0.62554(2) 0.43167(2) 0.02081(6) Uani 0.8491(8) 1 d D . P A 1
Ge1 Ge 0.00371(8) 0.65361(3) 0.26206(6) 0.02219(14) Uani 0.8491(8) 1 d D . P A 1
Ge2 Ge 0.13242(9) 0.72208(3) 0.24507(6) 0.02140(13) Uani 0.8491(8) 1 d D . P A 1
Ge3 Ge 0.05547(3) 0.69286(2) 0.37617(2) 0.02442(8) Uani 0.8491(8) 1 d D . P A 1
Ge4 Ge 0.08231(3) 0.57481(2) 0.33360(2) 0.02225(8) Uani 0.8491(8) 1 d D . P A 1
Ge5 Ge 0.12762(12) 0.62595(6) 0.19229(7) 0.02273(15) Uani 0.8491(8) 1 d D . P A
1
Ge6 Ge 0.28970(9) 0.66769(3) 0.25831(7) 0.02192(14) Uani 0.8491(8) 1 d D . P A 1
Ge7 Ge 0.22978(9) 0.70331(4) 0.36774(7) 0.01907(14) Uani 0.8491(8) 1 d D . P A 1
Ge8 Ge 0.23381(10) 0.57206(4) 0.28804(6) 0.02233(14) Uani 0.8491(8) 1 d D . P A
1
Ge9 Ge 0.31233(10) 0.61635(4) 0.39423(8) 0.02215(15) Uani 0.8491(8) 1 d D . P A
1
W1A W 0.13535(16) 0.56600(8) 0.54862(11) 0.0204(3) Uani 0.1509(8) 1 d D . P A 2
Rh1A Rh 0.16591(8) 0.58359(5) 0.41143(6) 0.0238(4) Uani 0.1509(8) 1 d D . P A 2
Ge1A Ge 0.0069(5) 0.6446(2) 0.2596(4) 0.02219(14) Uani 0.1509(8) 1 d D . P A 2
Ge2A Ge 0.1334(6) 0.7134(2) 0.2482(4) 0.02140(13) Uani 0.1509(8) 1 d D . P A 2
Ge3A Ge 0.08350(17) 0.66727(11) 0.38594(10) 0.0262(5) Uani 0.1509(8) 1 d D . P A
2
Ge4A Ge 0.05727(15) 0.55612(10) 0.30819(13) 0.0238(4) Uani 0.1509(8) 1 d D . P A
2
Ge5A Ge 0.1306(7) 0.6204(4) 0.1866(5) 0.02273(15) Uani 0.1509(8) 1 d D . P A 2
Ge6A Ge 0.2913(6) 0.6588(3) 0.2569(4) 0.02192(14) Uani 0.1509(8) 1 d D . P A 2
Ge7A Ge 0.2357(6) 0.6957(3) 0.3703(4) 0.01907(14) Uani 0.1509(8) 1 d D . P A 2
Ge8A Ge 0.2329(6) 0.5661(3) 0.2806(4) 0.02233(14) Uani 0.1509(8) 1 d D . P A 2
Ge9A Ge 0.3141(6) 0.6084(3) 0.3928(5) 0.02215(15) Uani 0.1509(8) 1 d D . P A 2
C1 C -0.2055(3) 0.74997(14) 0.3173(2) 0.0574(9) Uani 1 1 d . . . . .
H1A H -0.246982 0.758947 0.349331 0.086 Uiso 1 1 calc R U . . .
H1B H -0.207181 0.778128 0.283654 0.086 Uiso 1 1 calc R U . . .
H1C H -0.139799 0.745273 0.342824 0.086 Uiso 1 1 calc R U . . .
C2 C -0.2449(3) 0.63642(14) 0.33793(18) 0.0518(8) Uani 1 1 d . . . . .
H2A H -0.178402 0.629358 0.360067 0.078 Uiso 1 1 calc R U . . .
H2B H -0.274193 0.604517 0.316008 0.078 Uiso 1 1 calc R U . . .
H2C H -0.280418 0.648152 0.372592 0.078 Uiso 1 1 calc R U . . .
C3 C -0.3742(2) 0.69919(19) 0.2234(2) 0.0630(10) Uani 1 1 d . . . . .
H3A H -0.416114 0.704901 0.256294 0.094 Uiso 1 1 calc R U . . .
H3B H -0.396115 0.668507 0.195209 0.094 Uiso 1 1 calc R U . . .
H3C H -0.376136 0.729864 0.193742 0.094 Uiso 1 1 calc R U . . .
C4 C -0.1921(4) 0.53165(13) 0.20527(19) 0.0662(12) Uani 1 1 d . . . . .
H4A H -0.206753 0.497953 0.182268 0.099 Uiso 1 1 calc R U . . .
H4B H -0.238756 0.538884 0.234186 0.099 Uiso 1 1 calc R U . . .
H4C H -0.127732 0.530567 0.233981 0.099 Uiso 1 1 calc R U . . .
C5 C -0.1169(3) 0.56662(17) 0.0806(2) 0.0686(12) Uani 1 1 d . . . . .
H5A H -0.050341 0.570254 0.104959 0.103 Uiso 1 1 calc R U . . .
H5B H -0.128730 0.589937 0.040699 0.103 Uiso 1 1 calc R U . . .
H5C H -0.128735 0.530482 0.065208 0.103 Uiso 1 1 calc R U . . .
C6 C -0.3233(3) 0.58550(17) 0.0882(3) 0.0710(12) Uani 1 1 d . . . . .
H6A H -0.328185 0.611685 0.051670 0.107 Uiso 1 1 calc R U . . .
H6B H -0.367443 0.594445 0.118395 0.107 Uiso 1 1 calc R U . . .
H6C H -0.339974 0.551132 0.067629 0.107 Uiso 1 1 calc R U . . .
C7 C -0.2683(3) 0.7347(2) 0.0528(3) 0.105(2) Uani 1 1 d . . . . .
H7A H -0.268643 0.764387 0.021605 0.158 Uiso 1 1 calc R U . . .
H7B H -0.317659 0.739792 0.080095 0.158 Uiso 1 1 calc R U . . .
H7C H -0.281347 0.702547 0.025912 0.158 Uiso 1 1 calc R U . . .
C8 C -0.1219(3) 0.79405(12) 0.1566(3) 0.0640(11) Uani 1 1 d . . . . .
H8A H -0.116054 0.821125 0.122799 0.096 Uiso 1 1 calc R U . . .
H8B H -0.061831 0.791498 0.190429 0.096 Uiso 1 1 calc R U . . .
H8C H -0.173960 0.803078 0.179960 0.096 Uiso 1 1 calc R U . . .
C9 C -0.0559(3) 0.71619(14) 0.05883(18) 0.0518(8) Uani 1 1 d . . . . .
H9A H -0.065678 0.681076 0.039185 0.078 Uiso 1 1 calc R U . . .
H9B H 0.008003 0.718498 0.088129 0.078 Uiso 1 1 calc R U . . .
H9C H -0.061585 0.741843 0.021631 0.078 Uiso 1 1 calc R U . . .
C10 C 0.2319(3) 0.75024(15) 0.57313(17) 0.0502(8) Uani 1 1 d . . . . .
H10A H 0.247158 0.738129 0.620920 0.075 Uiso 1 1 calc R U . . .
H10B H 0.194920 0.723384 0.544214 0.075 Uiso 1 1 calc R U . . .
H10C H 0.194168 0.782381 0.570397 0.075 Uiso 1 1 calc R U . . .
C11 C 0.4298(3) 0.70766(18) 0.56554(18) 0.0637(11) Uani 1 1 d . . . . .
H11A H 0.439102 0.700774 0.615007 0.095 Uiso 1 1 calc R U . . .
H11B H 0.491324 0.716578 0.553766 0.095 Uiso 1 1 calc R U . . .
H11C H 0.403665 0.676484 0.539937 0.095 Uiso 1 1 calc R U . . .
C12 C 0.4002(3) 0.82298(16) 0.58822(16) 0.0601(10) Uani 1 1 d . . . . .
H12A H 0.354489 0.851909 0.579649 0.090 Uiso 1 1 calc R U . . .
H12B H 0.457863 0.832222 0.571190 0.090 Uiso 1 1 calc R U . . .
H12C H 0.417181 0.816061 0.637734 0.090 Uiso 1 1 calc R U . . .
C13 C 0.5239(2) 0.72434(14) 0.39477(18) 0.0465(7) Uani 1 1 d . . . . .
H13A H 0.489295 0.696596 0.366159 0.070 Uiso 1 1 calc R U . . .
H13B H 0.533635 0.714248 0.443309 0.070 Uiso 1 1 calc R U . . .
H13C H 0.586092 0.729829 0.382105 0.070 Uiso 1 1 calc R U . . .
C14 C 0.5275(3) 0.83968(15) 0.42940(18) 0.0532(9) Uani 1 1 d . . . . .
H14A H 0.586498 0.843618 0.411791 0.080 Uiso 1 1 calc R U . . .
H14B H 0.543379 0.830803 0.478399 0.080 Uiso 1 1 calc R U . . .
H14C H 0.491580 0.872488 0.423293 0.080 Uiso 1 1 calc R U . . .
C15 C 0.4271(2) 0.80293(14) 0.28656(15) 0.0457(7) Uani 1 1 d . . . . .
H15A H 0.487293 0.804537 0.270071 0.069 Uiso 1 1 calc R U . . .
H15B H 0.394953 0.836843 0.279635 0.069 Uiso 1 1 calc R U . . .
H15C H 0.385737 0.776114 0.260897 0.069 Uiso 1 1 calc R U . . .
C16 C 0.1076(5) 0.8465(3) 0.4390(5) 0.179(5) Uani 1 1 d . . . . .
H16A H 0.073903 0.880054 0.434676 0.269 Uiso 1 1 calc R U . . .
H16B H 0.127822 0.837591 0.487712 0.269 Uiso 1 1 calc R U . . .
H16C H 0.064745 0.819387 0.415577 0.269 Uiso 1 1 calc R U . . .
C17 C 0.1766(4) 0.86461(15) 0.30651(18) 0.0728(14) Uani 1 1 d . . . . .
H17A H 0.132058 0.837501 0.285003 0.109 Uiso 1 1 calc R U . . .
H17B H 0.233166 0.864614 0.285575 0.109 Uiso 1 1 calc R U . . .
H17C H 0.145157 0.898717 0.299571 0.109 Uiso 1 1 calc R U . . .
C18 C 0.2810(6) 0.91050(18) 0.4365(4) 0.149(4) Uani 1 1 d . . . . .
H18A H 0.336537 0.915326 0.415115 0.224 Uiso 1 1 calc R U . . .
H18B H 0.302623 0.905912 0.486266 0.224 Uiso 1 1 calc R U . . .
H18C H 0.239530 0.941219 0.427725 0.224 Uiso 1 1 calc R U . . .
C19 C 0.0748(4) 0.4385(4) 0.2038(3) 0.159(4) Uani 1 1 d . . . . .
H19A H 0.061862 0.467815 0.232374 0.238 Uiso 1 1 calc R U . . .
H19B H 0.089434 0.407321 0.232461 0.238 Uiso 1 1 calc R U . . .
H19C H 0.018375 0.431979 0.167624 0.238 Uiso 1 1 calc R U . . .
C20 C 0.2262(4) 0.39486(14) 0.1287(2) 0.0736(14) Uani 1 1 d . . . . .
H20A H 0.251064 0.370850 0.166466 0.110 Uiso 1 1 calc R U . . .
H20B H 0.277769 0.404537 0.105102 0.110 Uiso 1 1 calc R U . . .
H20C H 0.174737 0.377783 0.096050 0.110 Uiso 1 1 calc R U . . .
C21 C 0.1371(4) 0.49926(17) 0.0895(2) 0.0833(17) Uani 1 1 d . . . . .
H21A H 0.085252 0.482477 0.056796 0.125 Uiso 1 1 calc R U . . .
H21B H 0.190328 0.506812 0.066598 0.125 Uiso 1 1 calc R U . . .
H21C H 0.113737 0.531853 0.105953 0.125 Uiso 1 1 calc R U . . .
C22 C 0.2303(3) 0.43624(14) 0.38971(19) 0.0496(8) Uani 1 1 d . . . . .
H22A H 0.248730 0.416751 0.432816 0.074 Uiso 1 1 calc R U . . .
H22B H 0.177718 0.418142 0.359366 0.074 Uiso 1 1 calc R U . . .
H22C H 0.209585 0.471368 0.399578 0.074 Uiso 1 1 calc R U . . .
C23 C 0.3683(3) 0.37317(12) 0.32357(19) 0.0495(8) Uani 1 1 d . . . . .
H23A H 0.379858 0.351362 0.364963 0.074 Uiso 1 1 calc R U . . .
H23B H 0.426395 0.374536 0.304376 0.074 Uiso 1 1 calc R U . . .
H23C H 0.315946 0.358279 0.289455 0.074 Uiso 1 1 calc R U . . .
C24 C 0.4384(2) 0.46998(16) 0.40871(19) 0.0555(9) Uani 1 1 d . . . . .
H24A H 0.422473 0.505714 0.419874 0.083 Uiso 1 1 calc R U . . .
H24B H 0.495145 0.470408 0.387967 0.083 Uiso 1 1 calc R U . . .
H24C H 0.451370 0.448997 0.450822 0.083 Uiso 1 1 calc R U . . .
C25 C 0.5155(2) 0.45252(14) 0.2145(2) 0.0492(8) Uani 1 1 d . . . . .
H25A H 0.571912 0.459833 0.194945 0.074 Uiso 1 1 calc R U . . .
H25B H 0.479757 0.423376 0.189676 0.074 Uiso 1 1 calc R U . . .
H25C H 0.535695 0.443357 0.263184 0.074 Uiso 1 1 calc R U . . .
C26 C 0.4059(3) 0.5292(2) 0.1127(3) 0.0840(16) Uani 1 1 d . . . . .
H26A H 0.361086 0.558596 0.106284 0.126 Uiso 1 1 calc R U . . .
H26B H 0.376150 0.499170 0.086235 0.126 Uiso 1 1 calc R U . . .
H26C H 0.464042 0.539083 0.096633 0.126 Uiso 1 1 calc R U . . .
C27 C 0.5061(3) 0.56495(18) 0.2572(3) 0.0883(18) Uani 1 1 d . . . . .
H27A H 0.520247 0.555320 0.305930 0.132 Uiso 1 1 calc R U . . .
H27B H 0.468277 0.597104 0.251038 0.132 Uiso 1 1 calc R U . . .
H27C H 0.566116 0.570525 0.241339 0.132 Uiso 1 1 calc R U . . .
C28 C 0.0652(3) 0.6273(2) 0.62092(19) 0.0682(13) Uani 1 1 d D . . . .
H28 H 0.098668 0.648945 0.656590 0.082 Uiso 1 1 calc R U . A 1
C29 C 0.0400(3) 0.5746(2) 0.6272(2) 0.0747(15) Uani 1 1 d D . . . .
H29 H 0.052743 0.554810 0.668463 0.090 Uiso 1 1 calc R U . A 1
C30 C -0.0072(3) 0.55606(18) 0.5626(2) 0.0660(12) Uani 1 1 d D . . . .
H30 H -0.030625 0.521743 0.551980 0.079 Uiso 1 1 calc R U . A 1
C31 C -0.0128(2) 0.59884(16) 0.51615(17) 0.0500(8) Uani 1 1 d D . . . .
H31 H -0.041862 0.598141 0.468704 0.060 Uiso 1 1 calc R U . A 1
C32 C 0.0314(2) 0.64175(15) 0.55180(17) 0.0489(8) Uani 1 1 d D . . . .
H32 H 0.037739 0.675249 0.532774 0.059 Uiso 1 1 calc R U . A 1
C33 C 0.240(2) 0.5383(8) 0.6520(9) 0.0561(19) Uani 0.521(9) 1 d D U P A 1
H33 H 0.217570 0.532026 0.693041 0.067 Uiso 0.521(9) 1 calc R U P A 1
C34 C 0.2279(7) 0.5051(3) 0.5930(6) 0.065(2) Uani 0.521(9) 1 d D U P A 1
H34 H 0.193584 0.473082 0.587084 0.078 Uiso 0.521(9) 1 calc R U P A 1
C35 C 0.276(4) 0.5287(14) 0.5448(15) 0.0478(10) Uani 0.521(9) 1 d D U P A 1
H35 H 0.279835 0.515442 0.500713 0.057 Uiso 0.521(9) 1 calc R U P A 1
C36 C 0.3172(7) 0.5745(4) 0.5740(4) 0.0449(19) Uani 0.521(9) 1 d D U P A 1
H36 H 0.356028 0.597389 0.553662 0.054 Uiso 0.521(9) 1 calc R U P A 1
C37 C 0.2922(5) 0.5818(3) 0.6381(3) 0.0517(19) Uani 0.521(9) 1 d D U P A 1
H37 H 0.307855 0.611282 0.667130 0.062 Uiso 0.521(9) 1 calc R U P A 1
C33A C 0.2031(6) 0.5062(3) 0.6239(3) 0.045(2) Uani 0.479(9) 1 d D U P A 2
H33A H 0.163930 0.486731 0.648104 0.054 Uiso 0.479(9) 1 calc R U P A 2
C34A C 0.2169(6) 0.4948(3) 0.5575(4) 0.0451(18) Uani 0.479(9) 1 d D U P A 2
H34A H 0.187380 0.467463 0.528571 0.054 Uiso 0.479(9) 1 calc R U P A 2
C35A C 0.284(4) 0.5320(15) 0.5417(16) 0.0478(10) Uani 0.479(9) 1 d D U P A 2
H35A H 0.308840 0.533314 0.500895 0.057 Uiso 0.479(9) 1 calc R U P A 2
C36A C 0.3047(7) 0.5660(5) 0.5976(6) 0.056(2) Uani 0.479(9) 1 d D U P A 2
H36A H 0.346218 0.595211 0.600399 0.068 Uiso 0.479(9) 1 calc R U P A 2
C37A C 0.256(2) 0.5506(9) 0.6492(10) 0.0561(19) Uani 0.479(9) 1 d D U P A 2
H37A H 0.257593 0.567087 0.692361 0.067 Uiso 0.479(9) 1 calc R U P A 2
Si1 Si -0.15240(4) 0.66415(2) 0.19336(3) 0.02209(12) Uani 1 1 d . . . . .
Si2 Si -0.24825(5) 0.68826(3) 0.27158(4) 0.03256(15) Uani 1 1 d . . . . .
Si3 Si -0.19806(5) 0.58404(3) 0.13943(3) 0.02847(14) Uani 1 1 d . . . . .
Si4 Si -0.14840(5) 0.72987(3) 0.11158(4) 0.03795(17) Uani 1 1 d . . . . .
Si5 Si 0.31119(4) 0.77731(2) 0.42313(3) 0.02158(12) Uani 1 1 d . . . . .
Si6 Si 0.34473(5) 0.76320(3) 0.54247(3) 0.02949(14) Uani 1 1 d . . . . .
Si7 Si 0.45268(5) 0.78621(3) 0.38089(4) 0.03134(14) Uani 1 1 d . . . . .
Si8 Si 0.21294(6) 0.85142(3) 0.39943(4) 0.03879(17) Uani 1 1 d . . . . .
Si9 Si 0.29798(4) 0.49323(2) 0.24740(4) 0.02675(13) Uani 1 1 d . . . . .
Si10 Si 0.17872(6) 0.45476(4) 0.16382(5) 0.0449(2) Uani 1 1 d . . . . .
Si11 Si 0.33532(5) 0.44096(3) 0.34643(4) 0.03404(15) Uani 1 1 d . . . . .
Si12 Si 0.43738(5) 0.51166(3) 0.20624(5) 0.03928(17) Uani 1 1 d . . . . .
H1 H 0.124(3) 0.5602(19) 0.470(2) 0.077(14) Uiso 1 1 d . . . . .
H2 H 0.199(3) 0.6372(19) 0.536(2) 0.079(14) Uiso 1 1 d . . . . .
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'
Si Si 0.2541 0.3302 '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'
W W -5.4734 5.5774 '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
C28 W1 C34 127.1(3) . . ?
C28 W1 C29 36.72(17) . . ?
C34 W1 C29 98.3(3) . . ?
C28 W1 C33 96.2(5) . . ?
C34 W1 C33 36.9(4) . . ?
C29 W1 C33 81.6(5) . . ?
C28 W1 C37 97.4(2) . . ?
C34 W1 C37 60.2(3) . . ?
C29 W1 C37 103.5(2) . . ?
C33 W1 C37 35.6(4) . . ?
C28 W1 C32 36.25(12) . . ?
C34 W1 C32 157.8(3) . . ?
C29 W1 C32 59.82(13) . . ?
C33 W1 C32 132.4(5) . . ?
C37 W1 C32 125.0(2) . . ?
C28 W1 C35 155.2(9) . . ?
C34 W1 C35 36.4(6) . . ?
C29 W1 C35 134.7(7) . . ?
C33 W1 C35 60.3(10) . . ?
C37 W1 C35 59.2(8) . . ?
C32 W1 C35 165.3(7) . . ?
C28 W1 C30 60.44(18) . . ?
C34 W1 C30 101.3(3) . . ?
C29 W1 C30 35.73(17) . . ?
C33 W1 C30 105.0(5) . . ?
C37 W1 C30 136.1(2) . . ?
C32 W1 C30 59.21(14) . . ?
C35 W1 C30 129.6(3) . . ?
C28 W1 C36 128.0(3) . . ?
C34 W1 C36 58.9(3) . . ?
C29 W1 C36 137.7(2) . . ?
C33 W1 C36 58.6(5) . . ?
C37 W1 C36 35.0(2) . . ?
C32 W1 C36 139.5(3) . . ?
C35 W1 C36 34.6(4) . . ?
C30 W1 C36 160.1(3) . . ?
C28 W1 C31 59.34(14) . . ?
C34 W1 C31 132.7(3) . . ?
C29 W1 C31 58.91(13) . . ?
C33 W1 C31 139.0(5) . . ?
C37 W1 C31 156.7(2) . . ?
C32 W1 C31 34.67(14) . . ?
C35 W1 C31 143.8(7) . . ?
C30 W1 C31 35.38(12) . . ?
C36 W1 C31 162.4(2) . . ?
C28 W1 Rh1 113.48(11) . . ?
C34 W1 Rh1 119.4(3) . . ?
C29 W1 Rh1 136.99(10) . . ?
C33 W1 Rh1 141.2(5) . . ?
C37 W1 Rh1 112.5(2) . . ?
C32 W1 Rh1 80.13(8) . . ?
C35 W1 Rh1 85.4(8) . . ?
C30 W1 Rh1 111.15(10) . . ?
C36 W1 Rh1 83.0(2) . . ?
C31 W1 Rh1 79.50(8) . . ?
C28 W1 H1 130.9(15) . . ?
C34 W1 H1 92.3(15) . . ?
C29 W1 H1 122.3(15) . . ?
C33 W1 H1 128.8(16) . . ?
C37 W1 H1 130.0(15) . . ?
C32 W1 H1 96.6(15) . . ?
C35 W1 H1 73.9(17) . . ?
C30 W1 H1 86.6(15) . . ?
C36 W1 H1 95.6(15) . . ?
C31 W1 H1 72.6(15) . . ?
Rh1 W1 H1 43.2(15) . . ?
C28 W1 H2 88.8(16) . . ?
C34 W1 H2 126.6(16) . . ?
C29 W1 H2 125.5(16) . . ?
C33 W1 H2 114.8(16) . . ?
C37 W1 H2 79.3(16) . . ?
C32 W1 H2 74.1(16) . . ?
C35 W1 H2 94.2(17) . . ?
C30 W1 H2 132.0(16) . . ?
C36 W1 H2 67.9(16) . . ?
C31 W1 H2 98.2(16) . . ?
Rh1 W1 H2 45.6(16) . . ?
H1 W1 H2 89(2) . . ?
Ge9 Rh1 Ge3 116.64(3) . . ?
Ge9 Rh1 Ge4 90.37(3) . . ?
Ge3 Rh1 Ge4 82.130(13) . . ?
Ge9 Rh1 Ge7 59.82(3) . . ?
Ge3 Rh1 Ge7 60.05(3) . . ?
Ge4 Rh1 Ge7 100.25(3) . . ?
Ge9 Rh1 W1 117.26(4) . . ?
Ge3 Rh1 W1 123.463(14) . . ?
Ge4 Rh1 W1 113.069(14) . . ?
Ge7 Rh1 W1 146.68(3) . . ?
Ge9 Rh1 H1 112.0(14) . . ?
Ge3 Rh1 H1 125.5(14) . . ?
Ge4 Rh1 H1 74.3(14) . . ?
Ge7 Rh1 H1 170.6(14) . . ?
W1 Rh1 H1 39.4(14) . . ?
Ge9 Rh1 H2 105.5(13) . . ?
Ge3 Rh1 H2 111.3(13) . . ?
Ge4 Rh1 H2 150.2(14) . . ?
Ge7 Rh1 H2 109.5(14) . . ?
W1 Rh1 H2 37.2(14) . . ?
H1 Rh1 H2 76.4(19) . . ?
Si1 Ge1 Ge3 123.75(4) . . ?
Si1 Ge1 Ge5 113.02(6) . . ?
Ge3 Ge1 Ge5 120.06(6) . . ?
Si1 Ge1 Ge4 130.86(5) . . ?
Ge3 Ge1 Ge4 78.29(4) . . ?
Ge5 Ge1 Ge4 79.03(4) . . ?
Si1 Ge1 Ge2 116.83(5) . . ?
Ge3 Ge1 Ge2 75.75(4) . . ?
Ge5 Ge1 Ge2 62.30(5) . . ?
Ge4 Ge1 Ge2 110.87(5) . . ?
Ge7 Ge2 Ge6 61.22(4) . . ?
Ge7 Ge2 Ge1 90.72(5) . . ?
Ge6 Ge2 Ge1 103.95(4) . . ?
Ge7 Ge2 Ge5 99.40(5) . . ?
Ge6 Ge2 Ge5 60.07(4) . . ?
Ge1 Ge2 Ge5 57.82(4) . . ?
Rh1 Ge3 Ge1 99.98(3) . . ?
Rh1 Ge3 Ge7 64.32(2) . . ?
Ge1 Ge3 Ge7 95.75(4) . . ?
Rh1 Ge4 Ge8 90.03(3) . . ?
Rh1 Ge4 Ge1 96.00(3) . . ?
Ge8 Ge4 Ge1 97.73(4) . . ?
Ge1 Ge5 Ge8 96.78(6) . . ?
Ge1 Ge5 Ge6 104.55(5) . . ?
Ge8 Ge5 Ge6 61.70(5) . . ?
Ge1 Ge5 Ge2 59.88(4) . . ?
Ge8 Ge5 Ge2 103.89(5) . . ?
Ge6 Ge5 Ge2 58.80(4) . . ?
Ge2 Ge6 Ge5 61.13(4) . . ?
Ge2 Ge6 Ge7 59.08(4) . . ?
Ge5 Ge6 Ge7 98.69(6) . . ?
Ge2 Ge6 Ge8 102.87(5) . . ?
Ge5 Ge6 Ge8 57.97(5) . . ?
Ge7 Ge6 Ge8 88.60(5) . . ?
Si5 Ge7 Ge9 116.35(6) . . ?
Si5 Ge7 Ge3 116.64(5) . . ?
Ge9 Ge7 Ge3 108.37(6) . . ?
Si5 Ge7 Ge2 113.96(4) . . ?
Ge9 Ge7 Ge2 119.89(6) . . ?
Ge3 Ge7 Ge2 74.57(4) . . ?
Si5 Ge7 Rh1 124.82(6) . . ?
Ge9 Ge7 Rh1 55.48(4) . . ?
Ge3 Ge7 Rh1 55.63(3) . . ?
Ge2 Ge7 Rh1 114.38(5) . . ?
Si5 Ge7 Ge6 116.47(6) . . ?
Ge9 Ge7 Ge6 69.68(5) . . ?
Ge3 Ge7 Ge6 119.92(6) . . ?
Ge2 Ge7 Ge6 59.70(4) . . ?
Rh1 Ge7 Ge6 109.91(4) . . ?
Si9 Ge8 Ge9 122.21(6) . . ?
Si9 Ge8 Ge4 123.69(5) . . ?
Ge9 Ge8 Ge4 87.47(5) . . ?
Si9 Ge8 Ge5 114.02(5) . . ?
Ge9 Ge8 Ge5 118.90(5) . . ?
Ge4 Ge8 Ge5 80.13(5) . . ?
Si9 Ge8 Ge6 122.73(6) . . ?
Ge9 Ge8 Ge6 70.20(5) . . ?
Ge4 Ge8 Ge6 111.72(5) . . ?
Ge5 Ge8 Ge6 60.34(5) . . ?
Rh1 Ge9 Ge8 91.69(6) . . ?
Rh1 Ge9 Ge7 64.70(4) . . ?
Ge8 Ge9 Ge7 96.66(6) . . ?
C30 W1A C34A 113.8(3) . . ?
C30 W1A C33A 97.4(3) . . ?
C34A W1A C33A 37.3(2) . . ?
C30 W1A C31 37.91(14) . . ?
C34A W1A C31 143.5(3) . . ?
C33A W1A C31 135.2(2) . . ?
C30 W1A C29 37.05(18) . . ?
C34A W1A C29 114.4(2) . . ?
C33A W1A C29 81.2(2) . . ?
C31 W1A C29 60.15(14) . . ?
C30 W1A C35A 150.8(6) . . ?
C34A W1A C35A 37.0(6) . . ?
C33A W1A C35A 60.1(9) . . ?
C31 W1A C35A 160.3(9) . . ?
C29 W1A C35A 139.1(9) . . ?
C30 W1A C37A 114.7(4) . . ?
C34A W1A C37A 60.4(6) . . ?
C33A W1A C37A 35.1(4) . . ?
C31 W1A C37A 141.1(6) . . ?
C29 W1A C37A 82.7(5) . . ?
C35A W1A C37A 58.4(10) . . ?
C30 W1A C36A 148.7(3) . . ?
C34A W1A C36A 59.1(4) . . ?
C33A W1A C36A 57.6(3) . . ?
C31 W1A C36A 157.4(3) . . ?
C29 W1A C36A 114.3(3) . . ?
C35A W1A C36A 34.2(5) . . ?
C37A W1A C36A 34.1(4) . . ?
C30 W1A C32 59.41(16) . . ?
C34A W1A C32 171.5(2) . . ?
C33A W1A C32 135.5(2) . . ?
C31 W1A C32 34.02(14) . . ?
C29 W1A C32 57.15(14) . . ?
C35A W1A C32 149.7(5) . . ?
C37A W1A C32 116.5(6) . . ?
C36A W1A C32 123.5(3) . . ?
C30 W1A C28 59.33(19) . . ?
C34A W1A C28 140.1(2) . . ?
C33A W1A C28 102.8(2) . . ?
C31 W1A C28 57.35(15) . . ?
C29 W1A C28 34.23(16) . . ?
C35A W1A C28 139.0(5) . . ?
C37A W1A C28 85.8(6) . . ?
C36A W1A C28 104.8(3) . . ?
C32 W1A C28 33.26(12) . . ?
C30 W1A Rh1A 118.26(15) . . ?
C34A W1A Rh1A 91.63(19) . . ?
C33A W1A Rh1A 128.0(2) . . ?
C31 W1A Rh1A 89.00(11) . . ?
C29 W1A Rh1A 149.03(14) . . ?
C35A W1A Rh1A 71.9(9) . . ?
C37A W1A Rh1A 126.6(5) . . ?
C36A W1A Rh1A 92.9(3) . . ?
C32 W1A Rh1A 96.18(11) . . ?
C28 W1A Rh1A 127.28(13) . . ?
C30 W1A H1 102.0(18) . . ?
C34A W1A H1 87.1(18) . . ?
C33A W1A H1 123.9(18) . . ?
C31 W1A H1 80.9(18) . . ?
C29 W1A H1 138.0(18) . . ?
C35A W1A H1 80(2) . . ?
C37A W1A H1 138.0(19) . . ?
C36A W1A H1 107.6(18) . . ?
C32 W1A H1 99.1(18) . . ?
C28 W1A H1 132.4(18) . . ?
Rh1A W1A H1 20.7(18) . . ?
C30 W1A H2 125.0(13) . . ?
C34A W1A H2 121.0(14) . . ?
C33A W1A H2 123.1(14) . . ?
C31 W1A H2 92.5(13) . . ?
C29 W1A H2 109.4(13) . . ?
C35A W1A H2 84.2(15) . . ?
C37A W1A H2 89.3(14) . . ?
C36A W1A H2 67.9(14) . . ?
C32 W1A H2 65.6(13) . . ?
C28 W1A H2 75.4(13) . . ?
Rh1A W1A H2 66.2(13) . . ?
H1 W1A H2 86(2) . . ?
Ge9A Rh1A Ge4A 113.4(2) . . ?
Ge9A Rh1A Ge3A 98.2(2) . . ?
Ge4A Rh1A Ge3A 83.12(8) . . ?
Ge9A Rh1A W1A 120.8(2) . . ?
Ge4A Rh1A W1A 124.32(7) . . ?
Ge3A Rh1A W1A 100.07(7) . . ?
Ge9A Rh1A Ge8A 55.7(3) . . ?
Ge4A Rh1A Ge8A 58.64(17) . . ?
Ge3A Rh1A Ge8A 100.19(17) . . ?
W1A Rh1A Ge8A 159.74(17) . . ?
Ge9A Rh1A H1 137.8(18) . . ?
Ge4A Rh1A H1 104.3(18) . . ?
Ge3A Rh1A H1 104.6(18) . . ?
W1A Rh1A H1 20.7(18) . . ?
Ge8A Rh1A H1 147.9(18) . . ?
Si1 Ge1A Ge4A 123.8(3) . . ?
Si1 Ge1A Ge2A 114.1(3) . . ?
Ge4A Ge1A Ge2A 120.1(3) . . ?
Si1 Ge1A Ge5A 114.6(4) . . ?
Ge4A Ge1A Ge5A 79.8(3) . . ?
Ge2A Ge1A Ge5A 62.7(3) . . ?
Si1 Ge1A Ge3A 130.0(3) . . ?
Ge4A Ge1A Ge3A 78.4(2) . . ?
Ge2A Ge1A Ge3A 76.3(3) . . ?
Ge5A Ge1A Ge3A 113.2(3) . . ?
Ge1A Ge2A Ge7A 94.1(3) . . ?
Ge1A Ge2A Ge6A 103.8(3) . . ?
Ge7A Ge2A Ge6A 62.2(3) . . ?
Ge1A Ge2A Ge5A 58.8(3) . . ?
Ge7A Ge2A Ge5A 103.0(3) . . ?
Ge6A Ge2A Ge5A 59.3(3) . . ?
Ge7A Ge3A Rh1A 83.19(18) . . ?
Ge7A Ge3A Ge1A 99.4(3) . . ?
Rh1A Ge3A Ge1A 95.48(16) . . ?
Rh1A Ge4A Ge1A 98.5(2) . . ?
Rh1A Ge4A Ge8A 71.21(17) . . ?
Ge1A Ge4A Ge8A 92.5(3) . . ?
Ge8A Ge5A Ge1A 94.4(4) . . ?
Ge8A Ge5A Ge6A 60.2(3) . . ?
Ge1A Ge5A Ge6A 103.6(3) . . ?
Ge8A Ge5A Ge2A 101.5(4) . . ?
Ge1A Ge5A Ge2A 58.5(3) . . ?
Ge6A Ge5A Ge2A 59.5(3) . . ?
Ge8A Ge6A Ge5A 58.3(3) . . ?
Ge8A Ge6A Ge2A 101.4(3) . . ?
Ge5A Ge6A Ge2A 61.2(3) . . ?
Ge8A Ge6A Ge7A 90.6(3) . . ?
Ge5A Ge6A Ge7A 101.7(4) . . ?
Ge2A Ge6A Ge7A 58.5(3) . . ?
Ge3A Ge7A Si5 122.3(3) . . ?
Ge3A Ge7A Ge9A 95.2(3) . . ?
Si5 Ge7A Ge9A 122.5(4) . . ?
Ge3A Ge7A Ge2A 79.5(3) . . ?
Si5 Ge7A Ge2A 111.1(3) . . ?
Ge9A Ge7A Ge2A 117.9(4) . . ?
Ge3A Ge7A Ge6A 115.5(4) . . ?
Si5 Ge7A Ge6A 118.0(4) . . ?
Ge9A Ge7A Ge6A 68.9(3) . . ?
Ge2A Ge7A Ge6A 59.3(3) . . ?
Si9 Ge8A Ge9A 118.0(4) . . ?
Si9 Ge8A Ge5A 116.8(3) . . ?
Ge9A Ge8A Ge5A 120.3(4) . . ?
Si9 Ge8A Ge6A 122.9(4) . . ?
Ge9A Ge8A Ge6A 70.2(3) . . ?
Ge5A Ge8A Ge6A 61.5(3) . . ?
Si9 Ge8A Ge4A 116.1(3) . . ?
Ge9A Ge8A Ge4A 98.2(3) . . ?
Ge5A Ge8A Ge4A 77.3(3) . . ?
Ge6A Ge8A Ge4A 118.2(3) . . ?
Si9 Ge8A Rh1A 127.3(3) . . ?
Ge9A Ge8A Rh1A 48.7(2) . . ?
Ge5A Ge8A Rh1A 108.7(3) . . ?
Ge6A Ge8A Rh1A 101.1(3) . . ?
Ge4A Ge8A Rh1A 50.16(15) . . ?
Rh1A Ge9A Ge7A 83.3(3) . . ?
Rh1A Ge9A Ge8A 75.6(3) . . ?
Ge7A Ge9A Ge8A 96.7(4) . . ?
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 . . ?
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 . . ?
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 . . ?
C32 C28 C29 107.1(4) . . ?
C32 C28 W1 74.67(19) . . ?
C29 C28 W1 72.5(2) . . ?
C32 C28 W1A 72.7(2) . . ?
C29 C28 W1A 65.3(2) . . ?
C32 C28 H28 126.4 . . ?
C29 C28 H28 126.4 . . ?
W1 C28 H28 118.4 . . ?
C30 C29 C28 109.1(3) . . ?
C30 C29 W1 75.21(18) . . ?
C28 C29 W1 70.81(19) . . ?
C30 C29 W1A 65.51(18) . . ?
C28 C29 W1A 80.4(2) . . ?
C30 C29 H29 125.4 . . ?
C28 C29 H29 125.4 . . ?
W1 C29 H29 120.3 . . ?
C29 C30 C31 106.5(4) . . ?
C29 C30 W1A 77.4(2) . . ?
C31 C30 W1A 75.76(19) . . ?
C29 C30 W1 69.1(2) . . ?
C31 C30 W1 73.51(19) . . ?
C29 C30 H30 126.8 . . ?
C31 C30 H30 126.8 . . ?
W1 C30 H30 122.4 . . ?
C32 C31 C30 108.6(3) . . ?
C32 C31 W1A 81.14(19) . . ?
C30 C31 W1A 66.32(19) . . ?
C32 C31 W1 70.30(17) . . ?
C30 C31 W1 71.10(19) . . ?
C32 C31 H31 125.7 . . ?
C30 C31 H31 125.7 . . ?
W1 C31 H31 124.5 . . ?
C31 C32 C28 108.6(4) . . ?
C31 C32 W1 75.03(19) . . ?
C28 C32 W1 69.08(19) . . ?
C31 C32 W1A 64.84(18) . . ?
C28 C32 W1A 74.1(2) . . ?
C31 C32 H32 125.7 . . ?
C28 C32 H32 125.7 . . ?
W1 C32 H32 121.8 . . ?
C37 C33 C34 107.4(9) . . ?
C37 C33 W1 73.1(11) . . ?
C34 C33 W1 70.6(10) . . ?
C37 C33 H33 126.3 . . ?
C34 C33 H33 126.3 . . ?
W1 C33 H33 121.8 . . ?
C35 C34 C33 107.4(8) . . ?
C35 C34 W1 74(2) . . ?
C33 C34 W1 72.5(13) . . ?
C35 C34 H34 126.3 . . ?
C33 C34 H34 126.3 . . ?
W1 C34 H34 119.1 . . ?
C36 C35 C34 107.6(9) . . ?
C36 C35 W1 75(2) . . ?
C34 C35 W1 69.6(18) . . ?
C36 C35 H35 126.2 . . ?
C34 C35 H35 126.2 . . ?
W1 C35 H35 121.1 . . ?
C35 C36 C37 109.1(8) . . ?
C35 C36 W1 71(2) . . ?
C37 C36 W1 70.0(5) . . ?
C35 C36 H36 125.4 . . ?
C37 C36 H36 125.4 . . ?
W1 C36 H36 125.6 . . ?
C33 C37 C36 108.4(9) . . ?
C33 C37 W1 71.4(13) . . ?
C36 C37 W1 75.0(5) . . ?
C33 C37 H37 125.8 . . ?
C36 C37 H37 125.8 . . ?
W1 C37 H37 119.7 . . ?
C37A C33A C34A 110.0(9) . . ?
C37A C33A W1A 79.0(14) . . ?
C34A C33A W1A 68.7(5) . . ?
C37A C33A H33A 125.0 . . ?
C34A C33A H33A 125.0 . . ?
W1A C33A H33A 118.8 . . ?
C33A C34A C35A 107.1(9) . . ?
C33A C34A W1A 74.0(5) . . ?
C35A C34A W1A 78(3) . . ?
C33A C34A H34A 126.5 . . ?
C35A C34A H34A 126.5 . . ?
W1A C34A H34A 114.2 . . ?
C36A C35A C34A 106.8(10) . . ?
C36A C35A W1A 77(2) . . ?
C34A C35A W1A 65(2) . . ?
C36A C35A H35A 126.6 . . ?
C34A C35A H35A 126.6 . . ?
W1A C35A H35A 122.9 . . ?
C35A C36A C37A 110.1(10) . . ?
C35A C36A W1A 69(3) . . ?
C37A C36A W1A 71.8(14) . . ?
C35A C36A H36A 124.9 . . ?
C37A C36A H36A 124.9 . . ?
W1A C36A H36A 125.8 . . ?
C33A C37A C36A 105.9(10) . . ?
C33A C37A W1A 65.9(11) . . ?
C36A C37A W1A 74.1(12) . . ?
C33A C37A H37A 127.0 . . ?
C36A C37A H37A 127.0 . . ?
W1A C37A H37A 124.5 . . ?
Si3 Si1 Si4 110.85(4) . . ?
Si3 Si1 Si2 112.72(4) . . ?
Si4 Si1 Si2 111.47(4) . . ?
Si3 Si1 Ge1 107.69(3) . . ?
Si4 Si1 Ge1 109.09(4) . . ?
Si2 Si1 Ge1 104.70(4) . . ?
Si3 Si1 Ge1A 102.11(15) . . ?
Si4 Si1 Ge1A 111.75(18) . . ?
Si2 Si1 Ge1A 107.55(18) . . ?
C1 Si2 C2 107.58(19) . . ?
C1 Si2 C3 107.88(19) . . ?
C2 Si2 C3 110.56(19) . . ?
C1 Si2 Si1 111.55(12) . . ?
C2 Si2 Si1 110.08(12) . . ?
C3 Si2 Si1 109.16(13) . . ?
C5 Si3 C4 108.7(2) . . ?
C5 Si3 C6 108.2(2) . . ?
C4 Si3 C6 107.4(2) . . ?
C5 Si3 Si1 110.23(12) . . ?
C4 Si3 Si1 109.98(12) . . ?
C6 Si3 Si1 112.20(14) . . ?
C7 Si4 C8 108.1(3) . . ?
C7 Si4 C9 108.8(3) . . ?
C8 Si4 C9 109.42(17) . . ?
C7 Si4 Si1 109.42(14) . . ?
C8 Si4 Si1 109.37(14) . . ?
C9 Si4 Si1 111.65(11) . . ?
Si6 Si5 Si7 111.04(3) . . ?
Si6 Si5 Si8 108.59(4) . . ?
Si7 Si5 Si8 111.80(4) . . ?
Si6 Si5 Ge7 108.98(4) . . ?
Si7 Si5 Ge7 106.77(4) . . ?
Si8 Si5 Ge7 109.62(4) . . ?
Si6 Si5 Ge7A 106.17(19) . . ?
Si7 Si5 Ge7A 105.2(2) . . ?
Si8 Si5 Ge7A 113.88(17) . . ?
C10 Si6 C11 110.3(2) . . ?
C10 Si6 C12 107.26(17) . . ?
C11 Si6 C12 108.3(2) . . ?
C10 Si6 Si5 110.01(11) . . ?
C11 Si6 Si5 110.83(11) . . ?
C12 Si6 Si5 110.09(12) . . ?
C13 Si7 C14 107.83(17) . . ?
C13 Si7 C15 109.26(16) . . ?
C14 Si7 C15 108.66(15) . . ?
C13 Si7 Si5 110.21(10) . . ?
C14 Si7 Si5 109.22(12) . . ?
C15 Si7 Si5 111.57(11) . . ?
C16 Si8 C17 110.5(4) . . ?
C16 Si8 C18 107.0(5) . . ?
C17 Si8 C18 105.4(3) . . ?
C16 Si8 Si5 111.51(18) . . ?
C17 Si8 Si5 112.64(12) . . ?
C18 Si8 Si5 109.50(19) . . ?
Ge8A Si9 Si10 105.9(2) . . ?
Ge8A Si9 Si12 111.4(2) . . ?
Si10 Si9 Si12 112.64(4) . . ?
Ge8A Si9 Si11 105.5(2) . . ?
Si10 Si9 Si11 111.26(4) . . ?
Si12 Si9 Si11 109.89(4) . . ?
Si10 Si9 Ge8 108.49(4) . . ?
Si12 Si9 Ge8 110.59(4) . . ?
Si11 Si9 Ge8 103.59(5) . . ?
C19 Si10 C21 108.6(3) . . ?
C19 Si10 C20 110.8(3) . . ?
C21 Si10 C20 106.82(18) . . ?
C19 Si10 Si9 108.66(15) . . ?
C21 Si10 Si9 111.94(15) . . ?
C20 Si10 Si9 110.08(16) . . ?
C24 Si11 C22 108.51(18) . . ?
C24 Si11 C23 108.93(17) . . ?
C22 Si11 C23 108.25(16) . . ?
C24 Si11 Si9 109.94(14) . . ?
C22 Si11 Si9 110.59(12) . . ?
C23 Si11 Si9 110.57(12) . . ?
C27 Si12 C25 107.9(2) . . ?
C27 Si12 C26 110.9(3) . . ?
C25 Si12 C26 107.6(2) . . ?
C27 Si12 Si9 110.56(15) . . ?
C25 Si12 Si9 109.80(12) . . ?
C26 Si12 Si9 109.97(15) . . ?
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
W1 C28 2.227(3) . ?
W1 C34 2.247(7) . ?
W1 C29 2.249(3) . ?
W1 C33 2.27(3) . ?
W1 C37 2.295(6) . ?
W1 C32 2.299(3) . ?
W1 C35 2.30(5) . ?
W1 C30 2.328(4) . ?
W1 C36 2.358(10) . ?
W1 C31 2.359(3) . ?
W1 Rh1 2.8517(5) . ?
W1 H1 1.82(5) . ?
W1 H2 1.74(5) . ?
Rh1 Ge9 2.4094(15) . ?
Rh1 Ge3 2.4214(5) . ?
Rh1 Ge4 2.4293(6) . ?
Rh1 Ge7 2.6439(12) . ?
Rh1 H1 1.97(5) . ?
Rh1 H2 2.05(5) . ?
Ge1 Si1 2.3834(13) . ?
Ge1 Ge3 2.4528(11) . ?
Ge1 Ge5 2.5560(16) . ?
Ge1 Ge4 2.5921(10) . ?
Ge1 Ge2 2.6120(14) . ?
Ge2 Ge7 2.5948(15) . ?
Ge2 Ge6 2.6116(15) . ?
Ge2 Ge5 2.6738(14) . ?
Ge3 Ge7 2.5419(14) . ?
Ge4 Ge8 2.5073(13) . ?
Ge5 Ge8 2.5814(18) . ?
Ge5 Ge6 2.6460(18) . ?
Ge6 Ge7 2.6511(16) . ?
Ge6 Ge8 2.6811(15) . ?
Ge7 Si5 2.3764(14) . ?
Ge7 Ge9 2.5278(12) . ?
Ge8 Si9 2.4233(11) . ?
Ge8 Ge9 2.4576(15) . ?
W1A C30 2.123(4) . ?
W1A C34A 2.153(8) . ?
W1A C33A 2.221(7) . ?
W1A C31 2.247(4) . ?
W1A C29 2.277(4) . ?
W1A C35A 2.32(6) . ?
W1A C37A 2.39(3) . ?
W1A C36A 2.419(10) . ?
W1A C32 2.453(4) . ?
W1A C28 2.472(4) . ?
W1A Rh1A 2.878(3) . ?
W1A H1 1.54(5) . ?
W1A H2 2.07(5) . ?
Rh1A Ge9A 2.309(9) . ?
Rh1A Ge4A 2.414(3) . ?
Rh1A Ge3A 2.451(3) . ?
Rh1A Ge8A 2.976(8) . ?
Rh1A H1 1.54(5) . ?
Ge1A Si1 2.440(7) . ?
Ge1A Ge4A 2.514(7) . ?
Ge1A Ge2A 2.566(10) . ?
Ge1A Ge5A 2.576(11) . ?
Ge1A Ge3A 2.592(8) . ?
Ge2A Ge7A 2.607(10) . ?
Ge2A Ge6A 2.630(10) . ?
Ge2A Ge5A 2.676(10) . ?
Ge3A Ge7A 2.370(9) . ?
Ge4A Ge8A 2.684(9) . ?
Ge5A Ge8A 2.542(11) . ?
Ge5A Ge6A 2.626(11) . ?
Ge6A Ge8A 2.593(10) . ?
Ge6A Ge7A 2.705(10) . ?
Ge7A Si5 2.488(8) . ?
Ge7A Ge9A 2.502(9) . ?
Ge8A Si9 2.244(7) . ?
Ge8A Ge9A 2.539(10) . ?
C1 Si2 1.865(4) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 Si2 1.865(3) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 Si2 1.881(3) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 Si3 1.864(3) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 Si3 1.857(4) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 Si3 1.872(4) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 Si4 1.872(4) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 Si4 1.874(4) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 Si4 1.876(4) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 Si6 1.863(3) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 Si6 1.868(4) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 Si6 1.874(3) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 Si7 1.875(3) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 Si7 1.880(3) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 Si7 1.884(3) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 Si8 1.835(5) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 Si8 1.844(4) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 Si8 1.869(5) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 Si10 1.865(5) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 Si10 1.870(4) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 Si10 1.866(5) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 Si11 1.876(3) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 Si11 1.880(3) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 Si11 1.875(3) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 Si12 1.870(3) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 Si12 1.875(5) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 Si12 1.858(4) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C32 1.410(5) . ?
C28 C29 1.410(7) . ?
C28 H28 0.9500 . ?
C29 C30 1.406(7) . ?
C29 H29 0.9500 . ?
C30 C31 1.425(5) . ?
C30 H30 0.9500 . ?
C31 C32 1.389(6) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 C37 1.396(12) . ?
C33 C34 1.431(13) . ?
C33 H33 0.9500 . ?
C34 C35 1.422(12) . ?
C34 H34 0.9500 . ?
C35 C36 1.387(11) . ?
C35 H35 0.9500 . ?
C36 C37 1.401(9) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C33A C37A 1.400(14) . ?
C33A C34A 1.401(8) . ?
C33A H33A 0.9500 . ?
C34A C35A 1.427(12) . ?
C34A H34A 0.9500 . ?
C35A C36A 1.396(12) . ?
C35A H35A 0.9500 . ?
C36A C37A 1.409(14) . ?
C36A H36A 0.9500 . ?
C37A H37A 0.9500 . ?
Si1 Si3 2.3475(9) . ?
Si1 Si4 2.3482(9) . ?
Si1 Si2 2.3491(9) . ?
Si5 Si6 2.3484(9) . ?
Si5 Si7 2.3484(9) . ?
Si5 Si8 2.3528(9) . ?
Si9 Si10 2.3432(10) . ?
Si9 Si12 2.3464(10) . ?
Si9 Si11 2.3500(11) . ?
