#------------------------------------------------------------------------------
#$Date: 2020-07-03 04:18:35 +0300 (Fri, 03 Jul 2020) $
#$Revision: 253684 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/84/1558485.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_1558485
loop_
_publ_author_name
'Poitiers, Nadine Elisabeth'
'Giarrana, Luisa'
'Huch, Volker'
'Zimmer, Michael'
'Scheschkewitz, David'
_publ_section_title
;
 Exohedral functionalization vs. core expansion of siliconoids with Group
 9 metals: catalytic activity in alkene isomerization
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D0SC02861D
_journal_year                    2020
_chemical_formula_moiety         'C98 H150 Cl Ge N2 Rh Si6, C6 H14'
_chemical_formula_sum            'C104 H164 Cl Ge N2 Rh Si6'
_chemical_formula_weight         1821.85
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-05-04 deposited with the CCDC.	2020-07-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.500(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   29.9006(13)
_cell_length_b                   22.5250(8)
_cell_length_c                   32.5302(12)
_cell_measurement_reflns_used    9309
_cell_measurement_temperature    202(2)
_cell_measurement_theta_max      22.85
_cell_measurement_theta_min      2.29
_cell_volume                     21304.1(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      202(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0881
_diffrn_reflns_av_unetI/netI     0.1149
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            189652
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.160
_diffrn_reflns_theta_min         1.144
_exptl_absorpt_coefficient_mu    0.572
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6530
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., 
 J. Appl. Cryst. 48 (2015) 3-10 
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.136
_exptl_crystal_description       block
_exptl_crystal_F_000             7840
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: hexane'
_exptl_crystal_size_max          0.363
_exptl_crystal_size_mid          0.222
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.273
_refine_diff_density_min         -0.624
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2245
_refine_ls_number_reflns         47061
_refine_ls_number_restraints     457
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.1527
_refine_ls_R_factor_gt           0.0639
_refine_ls_shift/su_max          0.045
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0613P)²+27.4085P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1422
_refine_ls_wR_factor_ref         0.1768
_reflns_Friedel_coverage         0.000
_reflns_number_gt                24346
_reflns_number_total             47061
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0sc02861d2.cif
_cod_data_source_block           sh3988
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1558485
_shelx_shelxl_version_number     2018/3
_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   0.819
_shelx_estimated_absorpt_t_max   0.894
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.27115(2) 0.80350(2) 0.82945(2) 0.03636(10) Uani 1 1 d . . . . .
Ge1 Ge 0.26675(2) 0.71493(2) 0.78801(2) 0.03489(13) Uani 1 1 d . . . . .
Si1 Si 0.26398(4) 0.64739(6) 0.89607(4) 0.0318(3) Uani 1 1 d . . . . .
Si2 Si 0.19665(4) 0.61819(6) 0.91751(4) 0.0328(3) Uani 1 1 d . . . . .
Si3 Si 0.30154(5) 0.72718(5) 0.87655(4) 0.0325(3) Uani 1 1 d . . . . .
Si4 Si 0.28819(4) 0.62830(6) 0.83495(4) 0.0309(3) Uani 1 1 d . . . . .
Si5 Si 0.36442(4) 0.59881(5) 0.86957(4) 0.0280(3) Uani 1 1 d . . . . .
Si6 Si 0.34508(4) 0.65817(5) 0.92272(3) 0.0270(3) Uani 1 1 d . . . . .
Cl1 Cl 0.21454(5) 0.53092(5) 0.93712(4) 0.0499(3) Uani 1 1 d . . . . .
N1 N 0.21873(14) 0.69384(19) 0.73620(11) 0.0431(10) Uani 1 1 d . . . . .
N2 N 0.28827(13) 0.71612(17) 0.73359(11) 0.0380(9) Uani 1 1 d . . . . .
C1 C 0.24672(18) 0.7005(2) 0.71085(14) 0.0422(12) Uani 1 1 d . . . . .
C2 C 0.17248(19) 0.6665(3) 0.72839(14) 0.0653(18) Uani 1 1 d D . . . .
C3 C 0.15865(19) 0.6708(3) 0.77047(15) 0.0654(17) Uani 1 1 d D . . . .
H3A H 0.158191 0.712538 0.778811 0.098 Uiso 1 1 calc R U . . .
H3B H 0.180879 0.648962 0.792107 0.098 Uiso 1 1 calc R U . . .
H3C H 0.127969 0.653557 0.767569 0.098 Uiso 1 1 calc R U . . .
C4A C 0.1802(8) 0.6003(4) 0.7204(7) 0.085(5) Uani 0.62(3) 1 d D U P A 1
H4AA H 0.184290 0.595100 0.691607 0.127 Uiso 0.62(3) 1 calc R U P A 1
H4AB H 0.153479 0.577331 0.723859 0.127 Uiso 0.62(3) 1 calc R U P A 1
H4AC H 0.207768 0.586301 0.740721 0.127 Uiso 0.62(3) 1 calc R U P A 1
C5A C 0.1369(5) 0.6890(11) 0.6904(5) 0.088(5) Uani 0.62(3) 1 d D U P A 1
H5AA H 0.146852 0.679570 0.664467 0.132 Uiso 0.62(3) 1 calc R U P A 1
H5AB H 0.133574 0.732042 0.692589 0.132 Uiso 0.62(3) 1 calc R U P A 1
H5AC H 0.107293 0.669725 0.689499 0.132 Uiso 0.62(3) 1 calc R U P A 1
C4B C 0.1632(13) 0.6055(8) 0.7079(10) 0.088(6) Uani 0.38(3) 1 d D U P A 2
H4BA H 0.130968 0.594664 0.705481 0.133 Uiso 0.38(3) 1 calc R U P A 2
H4BB H 0.183197 0.576019 0.725314 0.133 Uiso 0.38(3) 1 calc R U P A 2
H4BC H 0.169560 0.606502 0.679655 0.133 Uiso 0.38(3) 1 calc R U P A 2
C5B C 0.1410(9) 0.7150(12) 0.7035(9) 0.085(6) Uani 0.38(3) 1 d D U P A 2
H5BA H 0.142762 0.714003 0.673834 0.127 Uiso 0.38(3) 1 calc R U P A 2
H5BB H 0.150992 0.754041 0.715568 0.127 Uiso 0.38(3) 1 calc R U P A 2
H5BC H 0.109190 0.707853 0.705382 0.127 Uiso 0.38(3) 1 calc R U P A 2
C6 C 0.23395(16) 0.6894(2) 0.66428(14) 0.0427(13) Uani 1 1 d . . . . .
C7 C 0.24264(19) 0.6351(3) 0.64895(16) 0.0585(16) Uani 1 1 d . . . . .
H7 H 0.259303 0.606376 0.667904 0.070 Uiso 1 1 calc R U . . .
C8 C 0.2278(2) 0.6208(4) 0.60651(19) 0.081(2) Uani 1 1 d . . . . .
H8 H 0.233806 0.582626 0.596651 0.097 Uiso 1 1 calc R U . . .
C9 C 0.2043(2) 0.6622(4) 0.5789(2) 0.085(2) Uani 1 1 d . U . . .
H9 H 0.193560 0.652543 0.549868 0.103 Uiso 1 1 calc R U . . .
C10 C 0.1964(2) 0.7171(4) 0.59309(19) 0.090(2) Uani 1 1 d . . . . .
H10 H 0.181039 0.746172 0.573682 0.108 Uiso 1 1 calc R U . . .
C11 C 0.2108(2) 0.7312(3) 0.63604(16) 0.0656(17) Uani 1 1 d . . . . .
H11 H 0.204676 0.769384 0.645796 0.079 Uiso 1 1 calc R U . . .
C12 C 0.32716(18) 0.7420(2) 0.71814(15) 0.0443(13) Uani 1 1 d . . . . .
C13 C 0.3129(2) 0.7976(3) 0.69129(18) 0.0646(17) Uani 1 1 d . . . . .
H13A H 0.293028 0.786287 0.664013 0.097 Uiso 1 1 calc R U . . .
H13B H 0.340452 0.817576 0.686608 0.097 Uiso 1 1 calc R U . . .
H13C H 0.296256 0.824579 0.706043 0.097 Uiso 1 1 calc R U . . .
C14 C 0.34847(19) 0.6970(2) 0.69319(17) 0.0582(15) Uani 1 1 d . . . . .
H14A H 0.326059 0.686667 0.667056 0.087 Uiso 1 1 calc R U . . .
H14B H 0.357171 0.661203 0.710284 0.087 Uiso 1 1 calc R U . . .
H14C H 0.375855 0.714344 0.686233 0.087 Uiso 1 1 calc R U . . .
C15 C 0.36262(19) 0.7595(3) 0.75829(16) 0.0579(15) Uani 1 1 d . . . . .
H15A H 0.390109 0.775383 0.750672 0.087 Uiso 1 1 calc R U . . .
H15B H 0.370997 0.724449 0.776311 0.087 Uiso 1 1 calc R U . . .
H15C H 0.349487 0.789787 0.773617 0.087 Uiso 1 1 calc R U . . .
C16 C 0.3169(2) 0.8760(2) 0.85791(17) 0.0536(15) Uani 1 1 d . . . . .
H16 H 0.344299 0.862903 0.880034 0.064 Uiso 1 1 calc R U . . .
C17 C 0.3287(2) 0.9109(3) 0.82212(19) 0.0734(19) Uani 1 1 d . . . . .
H17A H 0.355784 0.892310 0.814748 0.088 Uiso 1 1 calc R U . . .
H17B H 0.337618 0.951613 0.832288 0.088 Uiso 1 1 calc R U . . .
C18 C 0.2901(2) 0.9152(3) 0.78198(17) 0.0647(17) Uani 1 1 d . . . . .
H18A H 0.272649 0.952314 0.783124 0.078 Uiso 1 1 calc R U . . .
H18B H 0.304015 0.918000 0.757263 0.078 Uiso 1 1 calc R U . . .
C19 C 0.2570(2) 0.8638(2) 0.77540(15) 0.0519(15) Uani 1 1 d . . . . .
H19 H 0.254034 0.843310 0.747626 0.062 Uiso 1 1 calc R U . . .
C20 C 0.2181(2) 0.8600(2) 0.79098(15) 0.0515(14) Uani 1 1 d . . . . .
H20 H 0.192270 0.837640 0.772352 0.062 Uiso 1 1 calc R U . . .
C21 C 0.2031(2) 0.9050(2) 0.81849(17) 0.0594(16) Uani 1 1 d . . . . .
H21A H 0.178707 0.887356 0.830584 0.071 Uiso 1 1 calc R U . . .
H21B H 0.189420 0.939098 0.800710 0.071 Uiso 1 1 calc R U . . .
C22 C 0.2408(2) 0.9280(2) 0.85426(18) 0.0669(18) Uani 1 1 d . . . . .
H22A H 0.226768 0.941764 0.877298 0.080 Uiso 1 1 calc R U . . .
H22B H 0.255353 0.962704 0.844067 0.080 Uiso 1 1 calc R U . . .
C23 C 0.2779(2) 0.8826(2) 0.87220(15) 0.0477(14) Uani 1 1 d . . . . .
H23 H 0.281285 0.873076 0.902797 0.057 Uiso 1 1 calc R U . . .
C24 C 0.37469(15) 0.6637(2) 0.98164(12) 0.0303(10) Uani 1 1 d . . . . .
C25 C 0.37239(16) 0.6158(2) 1.00869(14) 0.0400(12) Uani 1 1 d . . . . .
C26 C 0.39064(17) 0.6217(2) 1.05230(14) 0.0479(13) Uani 1 1 d . . . . .
H26 H 0.389808 0.588314 1.069955 0.057 Uiso 1 1 calc R U . . .
C27 C 0.40956(18) 0.6732(3) 1.07052(15) 0.0507(14) Uani 1 1 d . . . . .
C28 C 0.41358(17) 0.7199(2) 1.04372(14) 0.0464(13) Uani 1 1 d . . . . .
H28 H 0.427979 0.755527 1.055648 0.056 Uiso 1 1 calc R U . . .
C29 C 0.39724(15) 0.7164(2) 0.99980(13) 0.0352(11) Uani 1 1 d . . . . .
C30 C 0.34961(19) 0.5567(2) 0.99351(15) 0.0494(14) Uani 1 1 d . . . . .
H30 H 0.336042 0.560248 0.962461 0.059 Uiso 1 1 calc R U . . .
C31 C 0.3839(2) 0.5054(2) 0.99998(18) 0.0630(17) Uani 1 1 d . . . . .
H31A H 0.367871 0.468612 0.989279 0.095 Uiso 1 1 calc R U . . .
H31B H 0.398097 0.501075 1.030190 0.095 Uiso 1 1 calc R U . . .
H31C H 0.407807 0.513628 0.984636 0.095 Uiso 1 1 calc R U . . .
C32 C 0.3103(2) 0.5444(3) 1.01489(18) 0.0628(16) Uani 1 1 d . . . . .
H32A H 0.288439 0.577475 1.009423 0.094 Uiso 1 1 calc R U . . .
H32B H 0.322641 0.540269 1.045433 0.094 Uiso 1 1 calc R U . . .
H32C H 0.294674 0.507651 1.003582 0.094 Uiso 1 1 calc R U . . .
C33 C 0.4237(2) 0.6774(3) 1.11856(16) 0.077(2) Uani 1 1 d D . . . .
H33A H 0.435221 0.640418 1.134601 0.092 Uiso 0.270(17) 1 calc R U P B 1
H33B H 0.446691 0.645150 1.128567 0.092 Uiso 0.730(17) 1 calc R U P B 2
C34 C 0.4458(5) 0.7337(5) 1.1346(3) 0.223(7) Uani 1 1 d D . . . .
H34A H 0.472243 0.740752 1.122233 0.334 Uiso 1 1 calc R U . B 1
H34B H 0.456199 0.731728 1.165432 0.334 Uiso 1 1 calc R U . B 1
H34C H 0.423654 0.766206 1.126761 0.334 Uiso 1 1 calc R U . B 1
C35A C 0.3880(10) 0.7125(18) 1.1328(9) 0.101(6) Uani 0.270(17) 1 d D U P B 1
H35A H 0.383877 0.750778 1.118174 0.151 Uiso 0.270(17) 1 calc R U P B 1
H35B H 0.397719 0.719109 1.163408 0.151 Uiso 0.270(17) 1 calc R U P B 1
H35C H 0.358857 0.690600 1.126363 0.151 Uiso 0.270(17) 1 calc R U P B 1
C35B C 0.3836(4) 0.6661(8) 1.1380(3) 0.101(4) Uani 0.730(17) 1 d D U P B 2
H35D H 0.359734 0.695925 1.127872 0.152 Uiso 0.730(17) 1 calc R U P B 2
H35E H 0.393816 0.668559 1.168849 0.152 Uiso 0.730(17) 1 calc R U P B 2
H35F H 0.371152 0.626426 1.129946 0.152 Uiso 0.730(17) 1 calc R U P B 2
C36 C 0.40443(16) 0.7703(2) 0.97407(14) 0.0378(12) Uani 1 1 d . . . . .
H36 H 0.401258 0.756691 0.944264 0.045 Uiso 1 1 calc R U . . .
C37 C 0.45194(19) 0.7968(2) 0.98874(17) 0.0574(15) Uani 1 1 d . . . . .
H37A H 0.474892 0.764966 0.993950 0.086 Uiso 1 1 calc R U . . .
H37B H 0.453696 0.819212 1.014905 0.086 Uiso 1 1 calc R U . . .
H37C H 0.458030 0.823508 0.966883 0.086 Uiso 1 1 calc R U . . .
C38 C 0.36784(19) 0.8170(2) 0.97352(17) 0.0543(14) Uani 1 1 d . . . . .
H38A H 0.373772 0.851401 0.957118 0.081 Uiso 1 1 calc R U . . .
H38B H 0.368554 0.829418 1.002546 0.081 Uiso 1 1 calc R U . . .
H38C H 0.337521 0.800450 0.960552 0.081 Uiso 1 1 calc R U . . .
C39 C 0.17885(16) 0.6476(2) 0.96654(13) 0.0358(11) Uani 1 1 d . . . . .
C40 C 0.13859(17) 0.6225(2) 0.97601(14) 0.0400(12) Uani 1 1 d . . . . .
C41 C 0.12252(18) 0.6459(2) 1.00926(15) 0.0480(14) Uani 1 1 d . . . . .
H41 H 0.095545 0.629088 1.015152 0.058 Uiso 1 1 calc R U . . .
C42 C 0.14329(19) 0.6917(2) 1.03408(15) 0.0489(14) Uani 1 1 d . . . . .
C43 C 0.18352(18) 0.7140(2) 1.02592(15) 0.0450(13) Uani 1 1 d . . . . .
H43 H 0.199144 0.745069 1.043253 0.054 Uiso 1 1 calc R U . . .
C44 C 0.20190(16) 0.6925(2) 0.99327(14) 0.0360(11) Uani 1 1 d . . . . .
C45 C 0.11195(17) 0.5702(2) 0.95231(15) 0.0452(13) Uani 1 1 d . . . . .
H45 H 0.126725 0.559233 0.928774 0.054 Uiso 1 1 calc R U . . .
C46 C 0.06166(19) 0.5870(3) 0.93259(18) 0.0660(17) Uani 1 1 d . . . . .
H46A H 0.060799 0.623301 0.915868 0.099 Uiso 1 1 calc R U . . .
H46B H 0.045404 0.593602 0.955084 0.099 Uiso 1 1 calc R U . . .
H46C H 0.046742 0.554639 0.914251 0.099 Uiso 1 1 calc R U . . .
C47 C 0.1148(2) 0.5164(2) 0.98120(17) 0.0672(18) Uani 1 1 d . . . . .
H47A H 0.100889 0.482014 0.964599 0.101 Uiso 1 1 calc R U . . .
H47B H 0.098266 0.524792 1.003245 0.101 Uiso 1 1 calc R U . . .
H47C H 0.147120 0.507856 0.994336 0.101 Uiso 1 1 calc R U . . .
C48 C 0.1225(2) 0.7182(3) 1.06839(19) 0.0670(18) Uani 1 1 d . . . . .
H48 H 0.142318 0.752449 1.081115 0.080 Uiso 1 1 calc R U . . .
C49 C 0.0747(3) 0.7418(3) 1.0506(3) 0.106(3) Uani 1 1 d . . . . .
H49A H 0.074662 0.766552 1.025817 0.159 Uiso 1 1 calc R U . . .
H49B H 0.064909 0.765707 1.072138 0.159 Uiso 1 1 calc R U . . .
H49C H 0.053373 0.708539 1.042333 0.159 Uiso 1 1 calc R U . . .
C50 C 0.1226(3) 0.6740(3) 1.10296(19) 0.093(2) Uani 1 1 d . . . . .
H50A H 0.105871 0.638300 1.090894 0.139 Uiso 1 1 calc R U . . .
H50B H 0.107669 0.691437 1.123897 0.139 Uiso 1 1 calc R U . . .
H50C H 0.154413 0.663432 1.116643 0.139 Uiso 1 1 calc R U . . .
C51 C 0.24648(17) 0.7213(2) 0.98801(15) 0.0410(12) Uani 1 1 d . . . . .
H51 H 0.258521 0.697757 0.966870 0.049 Uiso 1 1 calc R U . . .
C52 C 0.23800(19) 0.7846(2) 0.97174(19) 0.0614(16) Uani 1 1 d . . . . .
H52A H 0.267460 0.803625 0.971700 0.092 Uiso 1 1 calc R U . . .
H52B H 0.222366 0.806942 0.990140 0.092 Uiso 1 1 calc R U . . .
H52C H 0.218695 0.784004 0.942907 0.092 Uiso 1 1 calc R U . . .
C53 C 0.28289(19) 0.7213(3) 1.02988(17) 0.0628(16) Uani 1 1 d . . . . .
H53A H 0.312729 0.732632 1.024692 0.094 Uiso 1 1 calc R U . . .
H53B H 0.285125 0.681415 1.042301 0.094 Uiso 1 1 calc R U . . .
H53C H 0.274106 0.749665 1.049412 0.094 Uiso 1 1 calc R U . . .
C54 C 0.14404(15) 0.6225(2) 0.87110(13) 0.0346(11) Uani 1 1 d . . . . .
C55 C 0.12027(17) 0.6773(2) 0.86582(15) 0.0426(12) Uani 1 1 d . . . . .
C56 C 0.07729(19) 0.6817(3) 0.83685(17) 0.0560(15) Uani 1 1 d . . . . .
H56 H 0.061780 0.718865 0.833627 0.067 Uiso 1 1 calc R U . . .
C57 C 0.05694(19) 0.6341(3) 0.81299(17) 0.0577(15) Uani 1 1 d . . . . .
C58 C 0.08113(19) 0.5818(3) 0.81723(16) 0.0558(15) Uani 1 1 d . . . . .
H58 H 0.067581 0.548747 0.800846 0.067 Uiso 1 1 calc R U . . .
C59 C 0.12478(17) 0.5744(2) 0.84440(14) 0.0427(12) Uani 1 1 d . . . . .
C60 C 0.13959(18) 0.7335(2) 0.88909(15) 0.0449(13) Uani 1 1 d . . . . .
H60 H 0.169427 0.722529 0.908787 0.054 Uiso 1 1 calc R U . . .
C61 C 0.1503(2) 0.7811(2) 0.85908(17) 0.0585(15) Uani 1 1 d . . . . .
H61A H 0.175194 0.767195 0.846559 0.088 Uiso 1 1 calc R U . . .
H61B H 0.159702 0.817781 0.874882 0.088 Uiso 1 1 calc R U . . .
H61C H 0.122737 0.788631 0.836598 0.088 Uiso 1 1 calc R U . . .
C62 C 0.1084(2) 0.7585(3) 0.91623(19) 0.0675(17) Uani 1 1 d . . . . .
H62A H 0.079418 0.772021 0.897842 0.101 Uiso 1 1 calc R U . . .
H62B H 0.123821 0.792091 0.932907 0.101 Uiso 1 1 calc R U . . .
H62C H 0.102161 0.727566 0.935272 0.101 Uiso 1 1 calc R U . . .
C63A C 0.0116(9) 0.6320(13) 0.7802(9) 0.095(3) Uani 0.399(9) 1 d D U P C 1
H63A H 0.008574 0.596282 0.761480 0.114 Uiso 0.399(9) 1 calc R U P C 1
C64A C -0.0260(6) 0.6363(11) 0.8039(6) 0.107(4) Uani 0.399(9) 1 d D U P C 1
H64A H -0.055719 0.641304 0.783807 0.160 Uiso 0.399(9) 1 calc R U P C 1
H64B H -0.020149 0.670443 0.823100 0.160 Uiso 0.399(9) 1 calc R U P C 1
H64C H -0.026467 0.599895 0.820325 0.160 Uiso 0.399(9) 1 calc R U P C 1
C65A C 0.0041(7) 0.6897(9) 0.7557(7) 0.105(4) Uani 0.399(9) 1 d D U P C 1
H65A H 0.031430 0.698870 0.745164 0.157 Uiso 0.399(9) 1 calc R U P C 1
H65B H -0.001331 0.721699 0.774369 0.157 Uiso 0.399(9) 1 calc R U P C 1
H65C H -0.022636 0.685776 0.731865 0.157 Uiso 0.399(9) 1 calc R U P C 1
C63B C 0.0085(6) 0.6449(9) 0.7853(6) 0.095(3) Uani 0.601(9) 1 d D U P C 2
H63B H -0.005757 0.682248 0.793040 0.113 Uiso 0.601(9) 1 calc R U P C 2
C64B C -0.0223(4) 0.5916(6) 0.7838(4) 0.104(3) Uani 0.601(9) 1 d D U P C 2
H64D H -0.051779 0.599005 0.763738 0.155 Uiso 0.601(9) 1 calc R U P C 2
H64E H -0.027683 0.584317 0.811954 0.155 Uiso 0.601(9) 1 calc R U P C 2
H64F H -0.007562 0.556743 0.774651 0.155 Uiso 0.601(9) 1 calc R U P C 2
C65B C 0.0151(5) 0.6458(7) 0.7374(4) 0.107(4) Uani 0.601(9) 1 d . U P C 2
H65D H 0.029651 0.608728 0.731674 0.160 Uiso 0.601(9) 1 calc R U P C 2
H65E H 0.034565 0.679473 0.733847 0.160 Uiso 0.601(9) 1 calc R U P C 2
H65F H -0.015033 0.649719 0.717667 0.160 Uiso 0.601(9) 1 calc R U P C 2
C66 C 0.1483(2) 0.5150(2) 0.84311(16) 0.0552(15) Uani 1 1 d . . . . .
H66 H 0.180476 0.518789 0.860506 0.066 Uiso 1 1 calc R U . . .
C67 C 0.1511(3) 0.4973(3) 0.79840(19) 0.085(2) Uani 1 1 d . . . . .
H67A H 0.120043 0.491125 0.780910 0.128 Uiso 1 1 calc R U . . .
H67B H 0.168874 0.460537 0.799562 0.128 Uiso 1 1 calc R U . . .
H67C H 0.166305 0.529005 0.786080 0.128 Uiso 1 1 calc R U . . .
C68 C 0.1249(2) 0.4644(3) 0.86240(19) 0.0713(18) Uani 1 1 d . . . . .
H68A H 0.093402 0.458916 0.845576 0.107 Uiso 1 1 calc R U . . .
H68B H 0.124113 0.474688 0.891504 0.107 Uiso 1 1 calc R U . . .
H68C H 0.142289 0.427562 0.862367 0.107 Uiso 1 1 calc R U . . .
C69 C 0.38471(16) 0.5190(2) 0.88647(13) 0.0340(11) Uani 1 1 d . . . . .
C70 C 0.35604(17) 0.4685(2) 0.88220(14) 0.0388(12) Uani 1 1 d . . . . .
C71 C 0.3756(2) 0.4130(2) 0.89186(17) 0.0545(15) Uani 1 1 d . . . . .
H71 H 0.355932 0.379313 0.887075 0.065 Uiso 1 1 calc R U . . .
C72 C 0.4221(2) 0.4038(2) 0.9081(2) 0.0620(16) Uani 1 1 d . . . . .
C73 C 0.44925(19) 0.4531(2) 0.91420(18) 0.0571(15) Uani 1 1 d . . . . .
H73 H 0.481212 0.448431 0.926221 0.069 Uiso 1 1 calc R U . . .
C74 C 0.43226(17) 0.5097(2) 0.90366(14) 0.0409(12) Uani 1 1 d . . . . .
C75 C 0.30369(18) 0.4704(2) 0.86771(16) 0.0471(13) Uani 1 1 d . . . . .
H75 H 0.293872 0.512856 0.867803 0.057 Uiso 1 1 calc R U . . .
C76 C 0.2808(2) 0.4362(2) 0.89739(18) 0.0613(16) Uani 1 1 d . . . . .
H76A H 0.247453 0.442789 0.889296 0.092 Uiso 1 1 calc R U . . .
H76B H 0.292816 0.449950 0.926449 0.092 Uiso 1 1 calc R U . . .
H76C H 0.287186 0.393728 0.895587 0.092 Uiso 1 1 calc R U . . .
C77 C 0.2857(2) 0.4463(3) 0.82357(18) 0.086(2) Uani 1 1 d . . . . .
H77A H 0.293063 0.474040 0.802932 0.129 Uiso 1 1 calc R U . . .
H77B H 0.252218 0.441391 0.818175 0.129 Uiso 1 1 calc R U . . .
H77C H 0.299983 0.407752 0.821002 0.129 Uiso 1 1 calc R U . . .
C78 C 0.4421(3) 0.3416(3) 0.9204(3) 0.099(3) Uani 1 1 d . . . . .
H78 H 0.476300 0.346237 0.928241 0.119 Uiso 1 1 calc R U . . .
C79 C 0.4283(3) 0.3195(3) 0.9598(3) 0.141(4) Uani 1 1 d . . . . .
H79A H 0.395273 0.310865 0.953011 0.212 Uiso 1 1 calc R U . . .
H79B H 0.435252 0.350013 0.981804 0.212 Uiso 1 1 calc R U . . .
H79C H 0.445513 0.283232 0.969943 0.212 Uiso 1 1 calc R U . . .
C80 C 0.4316(4) 0.3013(4) 0.8840(4) 0.185(6) Uani 1 1 d . . . . .
H80A H 0.444454 0.317510 0.861256 0.278 Uiso 1 1 calc R U . . .
H80B H 0.398224 0.297283 0.874068 0.278 Uiso 1 1 calc R U . . .
H80C H 0.445246 0.262323 0.892400 0.278 Uiso 1 1 calc R U . . .
C81 C 0.46774(16) 0.5593(2) 0.91253(15) 0.0437(12) Uani 1 1 d . . . . .
H81 H 0.451037 0.597388 0.903676 0.052 Uiso 1 1 calc R U . . .
C82 C 0.5028(2) 0.5518(3) 0.8858(2) 0.0668(17) Uani 1 1 d . . . . .
H82A H 0.486878 0.548269 0.855982 0.100 Uiso 1 1 calc R U . . .
H82B H 0.521061 0.515939 0.894711 0.100 Uiso 1 1 calc R U . . .
H82C H 0.523243 0.586465 0.889559 0.100 Uiso 1 1 calc R U . . .
C83 C 0.4912(2) 0.5652(3) 0.95925(17) 0.0690(18) Uani 1 1 d . . . . .
H83A H 0.515219 0.595548 0.962863 0.104 Uiso 1 1 calc R U . . .
H83B H 0.504948 0.527024 0.969855 0.104 Uiso 1 1 calc R U . . .
H83C H 0.468379 0.576650 0.975091 0.104 Uiso 1 1 calc R U . . .
C84 C 0.40359(14) 0.62404(19) 0.83337(12) 0.0284(10) Uani 1 1 d . . . . .
C85 C 0.40097(15) 0.5890(2) 0.79661(13) 0.0335(11) Uani 1 1 d . . . . .
C86 C 0.42985(17) 0.6013(2) 0.77008(15) 0.0424(12) Uani 1 1 d . . . . .
H86 H 0.427468 0.577736 0.745454 0.051 Uiso 1 1 calc R U . . .
C87 C 0.46190(18) 0.6464(3) 0.77783(15) 0.0499(14) Uani 1 1 d . . . . .
C88 C 0.46415(16) 0.6808(2) 0.81322(14) 0.0401(12) Uani 1 1 d . . . . .
H88 H 0.485736 0.712447 0.818942 0.048 Uiso 1 1 calc R U . . .
C89 C 0.43571(15) 0.6707(2) 0.84090(13) 0.0336(11) Uani 1 1 d . . . . .
C90 C 0.36677(16) 0.5382(2) 0.78436(14) 0.0358(11) Uani 1 1 d . . . . .
H90 H 0.350635 0.533784 0.807872 0.043 Uiso 1 1 calc R U . . .
C91 C 0.39044(19) 0.4796(2) 0.78072(16) 0.0516(14) Uani 1 1 d . . . . .
H91A H 0.367447 0.447792 0.774787 0.077 Uiso 1 1 calc R U . . .
H91B H 0.412722 0.471143 0.807334 0.077 Uiso 1 1 calc R U . . .
H91C H 0.406430 0.481892 0.757681 0.077 Uiso 1 1 calc R U . . .
C92 C 0.33005(18) 0.5532(2) 0.74465(15) 0.0483(13) Uani 1 1 d . . . . .
H92A H 0.344157 0.555213 0.720353 0.072 Uiso 1 1 calc R U . . .
H92B H 0.316109 0.591583 0.748357 0.072 Uiso 1 1 calc R U . . .
H92C H 0.306290 0.522315 0.739720 0.072 Uiso 1 1 calc R U . . .
C93 C 0.44216(16) 0.7125(2) 0.87881(14) 0.0356(11) Uani 1 1 d . . . . .
H93 H 0.423716 0.696438 0.898299 0.043 Uiso 1 1 calc R U . . .
C94 C 0.42377(18) 0.7750(2) 0.86485(15) 0.0448(13) Uani 1 1 d . . . . .
H94A H 0.439594 0.790483 0.843911 0.067 Uiso 1 1 calc R U . . .
H94B H 0.429346 0.801407 0.889452 0.067 Uiso 1 1 calc R U . . .
H94C H 0.390656 0.772798 0.852307 0.067 Uiso 1 1 calc R U . . .
C95 C 0.49221(17) 0.7165(2) 0.90353(15) 0.0488(13) Uani 1 1 d . . . . .
H95A H 0.510723 0.734863 0.885769 0.073 Uiso 1 1 calc R U . . .
H95B H 0.503937 0.676567 0.911772 0.073 Uiso 1 1 calc R U . . .
H95C H 0.494098 0.740695 0.928925 0.073 Uiso 1 1 calc R U . . .
C96 C 0.4943(2) 0.6565(3) 0.74817(19) 0.077(2) Uani 1 1 d D . . . .
H96A H 0.482786 0.633544 0.721473 0.093 Uiso 0.79(2) 1 calc R U P D 1
H96B H 0.472520 0.644563 0.721177 0.093 Uiso 0.21(2) 1 calc R U P D 2
C97A C 0.5422(3) 0.6337(7) 0.7703(5) 0.102(4) Uani 0.79(2) 1 d D U P D 1
H97A H 0.540521 0.591324 0.776425 0.153 Uiso 0.79(2) 1 calc R U P D 1
H97B H 0.553362 0.655566 0.796778 0.153 Uiso 0.79(2) 1 calc R U P D 1
H97C H 0.563453 0.639839 0.751824 0.153 Uiso 0.79(2) 1 calc R U P D 1
C97B C 0.5309(16) 0.6105(18) 0.7479(19) 0.101(6) Uani 0.21(2) 1 d D U P D 2
H97D H 0.516452 0.571736 0.740450 0.151 Uiso 0.21(2) 1 calc R U P D 2
H97E H 0.551790 0.608336 0.775968 0.151 Uiso 0.21(2) 1 calc R U P D 2
H97F H 0.548369 0.621653 0.727007 0.151 Uiso 0.21(2) 1 calc R U P D 2
C98 C 0.4993(3) 0.7211(3) 0.7374(2) 0.096(2) Uani 1 1 d D . . . .
H98A H 0.517892 0.724240 0.716388 0.144 Uiso 1 1 calc R U . . .
H98B H 0.514464 0.742739 0.763052 0.144 Uiso 1 1 calc R U . . .
H98C H 0.468825 0.738234 0.725935 0.144 Uiso 1 1 calc R U . . .
Rh2 Rh 0.25648(2) 0.40537(2) 0.32836(2) 0.04046(11) Uani 1 1 d . . . . .
Ge2 Ge 0.25422(2) 0.49459(2) 0.28780(2) 0.03621(13) Uani 1 1 d . . . . .
Si7 Si 0.24375(4) 0.55914(6) 0.39421(4) 0.0330(3) Uani 1 1 d . . . . .
Si8 Si 0.17576(4) 0.58746(6) 0.41412(4) 0.0316(3) Uani 1 1 d . . . . .
Si9 Si 0.28437(5) 0.48147(6) 0.37588(4) 0.0334(3) Uani 1 1 d . . . . .
Si10 Si 0.27171(4) 0.58106(6) 0.33532(4) 0.0318(3) Uani 1 1 d . . . . .
Si11 Si 0.34641(4) 0.61149(6) 0.37448(4) 0.0312(3) Uani 1 1 d . . . . .
Si12 Si 0.32360(4) 0.55042(5) 0.42459(4) 0.0287(3) Uani 1 1 d . . . . .
Cl2 Cl 0.19308(4) 0.67514(5) 0.43308(4) 0.0453(3) Uani 1 1 d . . . . .
N3 N 0.20977(13) 0.51499(19) 0.23373(11) 0.0418(10) Uani 1 1 d . . . . .
N4 N 0.28176(14) 0.49702(18) 0.23671(11) 0.0406(10) Uani 1 1 d . . . . .
C99 C 0.24104(18) 0.5113(2) 0.21148(14) 0.0428(12) Uani 1 1 d . . . . .
C100 C 0.16258(19) 0.5389(3) 0.22237(15) 0.0629(17) Uani 1 1 d D . . . .
C1A1 C 0.1669(7) 0.6050(4) 0.2134(6) 0.084(4) Uani 0.70(4) 1 d D U P E 1
H1AA H 0.174905 0.609897 0.186024 0.126 Uiso 0.70(4) 1 calc R U P E 1
H1AB H 0.190961 0.622647 0.235689 0.126 Uiso 0.70(4) 1 calc R U P E 1
H1AC H 0.137505 0.624785 0.212589 0.126 Uiso 0.70(4) 1 calc R U P E 1
C1B1 C 0.1491(15) 0.5959(12) 0.1982(12) 0.078(4) Uani 0.30(4) 1 d D U P E 2
H1BA H 0.150766 0.590313 0.168706 0.116 Uiso 0.30(4) 1 calc R U P E 2
H1BB H 0.170223 0.627652 0.210951 0.116 Uiso 0.30(4) 1 calc R U P E 2
H1BC H 0.117651 0.606615 0.199242 0.116 Uiso 0.30(4) 1 calc R U P E 2
C102 C 0.14430(19) 0.5328(3) 0.26173(16) 0.0663(17) Uani 1 1 d D U . . .
H10A H 0.113297 0.549753 0.256545 0.099 Uiso 1 1 calc R U . . .
H10B H 0.164593 0.553974 0.285150 0.099 Uiso 1 1 calc R U . . .
H10C H 0.143142 0.490702 0.269011 0.099 Uiso 1 1 calc R U . . .
C1A3 C 0.1324(6) 0.5178(12) 0.1827(5) 0.076(4) Uani 0.51(3) 1 d . U P E 1
H1AD H 0.143129 0.533712 0.158675 0.113 Uiso 0.51(3) 1 calc R U P E 1
H1AE H 0.100872 0.531159 0.181082 0.113 Uiso 0.51(3) 1 calc R U P E 1
H1AF H 0.133153 0.474278 0.181971 0.113 Uiso 0.51(3) 1 calc R U P E 1
C1B3 C 0.1326(6) 0.4850(12) 0.1930(6) 0.074(4) Uani 0.49(3) 1 d . U P E 2
H1BD H 0.141554 0.482348 0.165999 0.110 Uiso 0.49(3) 1 calc R U P E 2
H1BE H 0.099637 0.493920 0.187866 0.110 Uiso 0.49(3) 1 calc R U P E 2
H1BF H 0.138879 0.447097 0.208071 0.110 Uiso 0.49(3) 1 calc R U P E 2
C104 C 0.23405(18) 0.5240(3) 0.16512(14) 0.0499(14) Uani 1 1 d . . . . .
C105 C 0.2458(2) 0.5790(3) 0.15166(18) 0.0669(17) Uani 1 1 d . . . . .
H105 H 0.258835 0.607988 0.172184 0.080 Uiso 1 1 calc R U . . .
C106 C 0.2391(2) 0.5928(4) 0.1097(2) 0.085(2) Uani 1 1 d . . . . .
H106 H 0.246971 0.631068 0.101344 0.102 Uiso 1 1 calc R U . . .
C107 C 0.2210(2) 0.5507(4) 0.0797(2) 0.087(2) Uani 1 1 d . U . . .
H107 H 0.216151 0.560205 0.050580 0.105 Uiso 1 1 calc R U . . .
C108 C 0.2099(2) 0.4956(4) 0.09154(18) 0.087(2) Uani 1 1 d . . . . .
H108 H 0.197886 0.466602 0.070685 0.105 Uiso 1 1 calc R U . . .
C109 C 0.2162(2) 0.4819(3) 0.13463(16) 0.0685(18) Uani 1 1 d . . . . .
H109 H 0.208291 0.443622 0.142907 0.082 Uiso 1 1 calc R U . . .
C110 C 0.32348(19) 0.4717(2) 0.22570(16) 0.0508(14) Uani 1 1 d . . . . .
C111 C 0.3456(2) 0.5150(3) 0.2007(2) 0.0760(19) Uani 1 1 d . . . . .
H11A H 0.324673 0.522200 0.173076 0.114 Uiso 1 1 calc R U . . .
H11B H 0.374472 0.498270 0.196592 0.114 Uiso 1 1 calc R U . . .
H11C H 0.351830 0.552564 0.216173 0.114 Uiso 1 1 calc R U . . .
C112 C 0.3562(2) 0.4600(3) 0.26786(18) 0.0737(19) Uani 1 1 d . . . . .
H11D H 0.384974 0.443435 0.263253 0.111 Uiso 1 1 calc R U . . .
H11E H 0.342242 0.431627 0.283995 0.111 Uiso 1 1 calc R U . . .
H11F H 0.362695 0.497237 0.283687 0.111 Uiso 1 1 calc R U . . .
C113 C 0.3132(2) 0.4136(3) 0.20134(19) 0.0684(17) Uani 1 1 d . . . . .
H11G H 0.291163 0.420832 0.174364 0.103 Uiso 1 1 calc R U . . .
H11H H 0.300047 0.385057 0.218025 0.103 Uiso 1 1 calc R U . . .
H11I H 0.341708 0.397379 0.195965 0.103 Uiso 1 1 calc R U . . .
C114 C 0.2450(2) 0.3447(2) 0.27395(14) 0.0494(14) Uani 1 1 d . . . . .
H114 H 0.242634 0.364770 0.246122 0.059 Uiso 1 1 calc R U . . .
C115 C 0.2794(2) 0.2941(2) 0.28268(17) 0.0612(16) Uani 1 1 d . . . . .
H11J H 0.293450 0.289779 0.258161 0.073 Uiso 1 1 calc R U . . .
H11K H 0.262640 0.256797 0.285197 0.073 Uiso 1 1 calc R U . . .
C116 C 0.3177(2) 0.3018(3) 0.32257(19) 0.0705(18) Uani 1 1 d . . . . .
H11L H 0.329026 0.262064 0.333171 0.085 Uiso 1 1 calc R U . . .
H11M H 0.343560 0.323251 0.315079 0.085 Uiso 1 1 calc R U . . .
C117 C 0.3032(2) 0.3351(2) 0.35765(17) 0.0578(16) Uani 1 1 d . . . . .
H117 H 0.329454 0.349231 0.380574 0.069 Uiso 1 1 calc R U . . .
C118 C 0.2636(2) 0.3259(2) 0.37050(15) 0.0573(16) Uani 1 1 d . . . . .
H118 H 0.265735 0.335206 0.400950 0.069 Uiso 1 1 calc R U . . .
C119 C 0.2281(2) 0.2795(3) 0.35199(18) 0.074(2) Uani 1 1 d . . . . .
H11N H 0.214400 0.263791 0.374718 0.089 Uiso 1 1 calc R U . . .
H11O H 0.243554 0.246077 0.341138 0.089 Uiso 1 1 calc R U . . .
C120 C 0.1895(2) 0.3031(2) 0.31612(17) 0.0590(16) Uani 1 1 d . . . . .
H12A H 0.175451 0.269370 0.298161 0.071 Uiso 1 1 calc R U . . .
H12B H 0.165407 0.321088 0.328458 0.071 Uiso 1 1 calc R U . . .
C121 C 0.2055(2) 0.3481(2) 0.28911(15) 0.0508(14) Uani 1 1 d . . . . .
H121 H 0.179804 0.370185 0.270012 0.061 Uiso 1 1 calc R U . . .
C122 C 0.35081(15) 0.54403(19) 0.48362(12) 0.0292(10) Uani 1 1 d . . . . .
C123 C 0.37370(15) 0.4915(2) 0.50113(13) 0.0326(11) Uani 1 1 d . . . . .
C124 C 0.39141(16) 0.4883(2) 0.54455(14) 0.0399(12) Uani 1 1 d . . . . .
H124 H 0.405912 0.452497 0.556119 0.048 Uiso 1 1 calc R U . . .
C125 C 0.38888(17) 0.5346(2) 0.57157(14) 0.0414(12) Uani 1 1 d . . . . .
C126 C 0.36759(18) 0.5857(2) 0.55416(14) 0.0448(13) Uani 1 1 d . . . . .
H126 H 0.366151 0.618490 0.572165 0.054 Uiso 1 1 calc R U . . .
C127 C 0.34808(16) 0.5912(2) 0.51123(13) 0.0370(11) Uani 1 1 d . . . . .
C128 C 0.37773(16) 0.4372(2) 0.47465(14) 0.0368(11) Uani 1 1 d . . . . .
H128 H 0.375950 0.450961 0.445095 0.044 Uiso 1 1 calc R U . . .
C129 C 0.42413(19) 0.4052(2) 0.49016(16) 0.0558(15) Uani 1 1 d . . . . .
H12C H 0.428881 0.377434 0.468397 0.084 Uiso 1 1 calc R U . . .
H12D H 0.424013 0.383359 0.516183 0.084 Uiso 1 1 calc R U . . .
H12E H 0.449029 0.434548 0.495783 0.084 Uiso 1 1 calc R U . . .
C130 C 0.33849(19) 0.3939(2) 0.47318(16) 0.0505(14) Uani 1 1 d . . . . .
H13D H 0.309188 0.413550 0.460845 0.076 Uiso 1 1 calc R U . . .
H13E H 0.338667 0.380645 0.501911 0.076 Uiso 1 1 calc R U . . .
H13F H 0.342266 0.359529 0.455821 0.076 Uiso 1 1 calc R U . . .
C131 C 0.40722(19) 0.5252(3) 0.61867(14) 0.0567(15) Uani 1 1 d D . . . .
H31D H 0.425423 0.487976 0.626392 0.068 Uiso 0.22(3) 1 calc R U P F 1
H31E H 0.433198 0.496503 0.621095 0.068 Uiso 0.78(3) 1 calc R U P F 2
C13A C 0.3684(10) 0.533(3) 0.6400(12) 0.095(6) Uani 0.22(3) 1 d D U P F 1
H13G H 0.361496 0.575305 0.641543 0.143 Uiso 0.22(3) 1 calc R U P F 1
H13H H 0.377178 0.516454 0.668637 0.143 Uiso 0.22(3) 1 calc R U P F 1
H13I H 0.341171 0.512162 0.623822 0.143 Uiso 0.22(3) 1 calc R U P F 1
C13B C 0.3722(4) 0.4934(9) 0.6370(3) 0.092(4) Uani 0.78(3) 1 d D U P F 2
H13J H 0.343806 0.516774 0.631889 0.138 Uiso 0.78(3) 1 calc R U P F 2
H13K H 0.384223 0.488164 0.667446 0.138 Uiso 0.78(3) 1 calc R U P F 2
H13L H 0.365735 0.454430 0.623460 0.138 Uiso 0.78(3) 1 calc R U P F 2
C133 C 0.4283(3) 0.5793(3) 0.64190(18) 0.104(3) Uani 1 1 d D . . . .
H13M H 0.451117 0.595890 0.627883 0.157 Uiso 1 1 calc R U . F 1
H13N H 0.443248 0.568592 0.671066 0.157 Uiso 1 1 calc R U . F 1
H13O H 0.404244 0.608841 0.642005 0.157 Uiso 1 1 calc R U . F 1
C134 C 0.32220(18) 0.6493(2) 0.49641(15) 0.0454(13) Uani 1 1 d . . . . .
H134 H 0.309650 0.646202 0.465182 0.054 Uiso 1 1 calc R U . . .
C135 C 0.28194(19) 0.6564(2) 0.51649(17) 0.0573(15) Uani 1 1 d . . . . .
H13P H 0.264793 0.692348 0.505575 0.086 Uiso 1 1 calc R U . . .
H13Q H 0.293122 0.659605 0.547222 0.086 Uiso 1 1 calc R U . . .
H13R H 0.261705 0.621756 0.509741 0.086 Uiso 1 1 calc R U . . .
C136 C 0.3529(2) 0.7044(2) 0.50449(18) 0.0605(16) Uani 1 1 d . . . . .
H13S H 0.378453 0.699658 0.490630 0.091 Uiso 1 1 calc R U . . .
H13T H 0.365043 0.709435 0.534982 0.091 Uiso 1 1 calc R U . . .
H13U H 0.334820 0.739492 0.493038 0.091 Uiso 1 1 calc R U . . .
C137 C 0.12472(15) 0.5828(2) 0.36639(13) 0.0318(10) Uani 1 1 d . . . . .
C138 C 0.10659(16) 0.6296(2) 0.33872(14) 0.0389(12) Uani 1 1 d . . . . .
C139 C 0.06323(17) 0.6227(2) 0.31088(14) 0.0456(13) Uani 1 1 d . . . . .
H139 H 0.050418 0.655352 0.293627 0.055 Uiso 1 1 calc R U . . .
C140 C 0.03857(18) 0.5706(3) 0.30762(16) 0.0495(14) Uani 1 1 d . . . . .
C141 C 0.05847(17) 0.5236(2) 0.33151(15) 0.0456(13) Uani 1 1 d . . . . .
H141 H 0.043032 0.486473 0.328043 0.055 Uiso 1 1 calc R U . . .
C142 C 0.10042(16) 0.5281(2) 0.36073(14) 0.0384(11) Uani 1 1 d . . . . .
C143 C 0.13128(18) 0.6888(2) 0.33703(15) 0.0472(13) Uani 1 1 d . . . . .
H143 H 0.163428 0.684938 0.354521 0.057 Uiso 1 1 calc R U . . .
C144 C 0.1076(2) 0.7402(2) 0.35558(18) 0.0603(16) Uani 1 1 d . . . . .
H14D H 0.124229 0.777301 0.354026 0.090 Uiso 1 1 calc R U . . .
H14E H 0.107881 0.731476 0.385157 0.090 Uiso 1 1 calc R U . . .
H14F H 0.075760 0.744216 0.339300 0.090 Uiso 1 1 calc R U . . .
C145 C 0.1338(2) 0.7048(3) 0.29203(18) 0.0717(18) Uani 1 1 d . . . . .
H14G H 0.102667 0.709765 0.274421 0.107 Uiso 1 1 calc R U . . .
H14H H 0.149551 0.673012 0.280402 0.107 Uiso 1 1 calc R U . . .
H14I H 0.150973 0.742004 0.292386 0.107 Uiso 1 1 calc R U . . .
C146 C -0.0084(2) 0.5647(3) 0.27758(19) 0.0724(19) Uani 1 1 d D . . . .
H46D H -0.008921 0.529822 0.258463 0.087 Uiso 0.391(9) 1 calc R U P G 1
H46E H -0.018292 0.522327 0.277838 0.087 Uiso 0.609(9) 1 calc R U P G 2
C14A C -0.0299(7) 0.6172(6) 0.2528(7) 0.099(4) Uani 0.391(9) 1 d D U P G 1
H14J H -0.013589 0.626144 0.230714 0.148 Uiso 0.391(9) 1 calc R U P G 1
H14K H -0.028104 0.651500 0.271686 0.148 Uiso 0.391(9) 1 calc R U P G 1
H14L H -0.062242 0.608533 0.239784 0.148 Uiso 0.391(9) 1 calc R U P G 1
C14C C -0.0426(5) 0.5556(10) 0.3053(5) 0.091(5) Uani 0.391(9) 1 d D U P G 1
H14M H -0.074024 0.557463 0.287702 0.136 Uiso 0.391(9) 1 calc R U P G 1
H14N H -0.038333 0.586732 0.326854 0.136 Uiso 0.391(9) 1 calc R U P G 1
H14O H -0.037399 0.516651 0.319013 0.136 Uiso 0.391(9) 1 calc R U P G 1
C14B C -0.0058(4) 0.5801(6) 0.2328(3) 0.096(4) Uani 0.609(9) 1 d D U P G 2
H14P H 0.016276 0.553805 0.223965 0.144 Uiso 0.609(9) 1 calc R U P G 2
H14Q H 0.004135 0.621431 0.231835 0.144 Uiso 0.609(9) 1 calc R U P G 2
H14R H -0.036229 0.575074 0.213776 0.144 Uiso 0.609(9) 1 calc R U P G 2
C14D C -0.0436(4) 0.6022(6) 0.2909(4) 0.099(4) Uani 0.609(9) 1 d D U P G 2
H14S H -0.070734 0.606006 0.267389 0.148 Uiso 0.609(9) 1 calc R U P G 2
H14T H -0.030767 0.641662 0.299086 0.148 Uiso 0.609(9) 1 calc R U P G 2
H14U H -0.052532 0.583612 0.315056 0.148 Uiso 0.609(9) 1 calc R U P G 2
C149 C 0.11902(18) 0.4723(2) 0.38495(15) 0.0432(12) Uani 1 1 d . . . . .
H149 H 0.148557 0.483225 0.405111 0.052 Uiso 1 1 calc R U . . .
C150 C 0.1302(2) 0.4243(2) 0.35513(17) 0.0585(15) Uani 1 1 d . . . . .
H15D H 0.102620 0.415673 0.332986 0.088 Uiso 1 1 calc R U . . .
H15E H 0.140509 0.388134 0.371279 0.088 Uiso 1 1 calc R U . . .
H15F H 0.154642 0.438704 0.342149 0.088 Uiso 1 1 calc R U . . .
C151 C 0.0866(2) 0.4477(2) 0.41133(17) 0.0581(15) Uani 1 1 d . . . . .
H15G H 0.056902 0.437683 0.392574 0.087 Uiso 1 1 calc R U . . .
H15H H 0.082171 0.477703 0.431793 0.087 Uiso 1 1 calc R U . . .
H15I H 0.100249 0.411946 0.426403 0.087 Uiso 1 1 calc R U . . .
C152 C 0.15696(15) 0.5594(2) 0.46323(13) 0.0333(11) Uani 1 1 d . . . . .
C153 C 0.17953(16) 0.5147(2) 0.49083(13) 0.0335(11) Uani 1 1 d . . . . .
C154 C 0.16135(17) 0.4977(2) 0.52501(15) 0.0447(13) Uani 1 1 d . . . . .
H154 H 0.176724 0.467442 0.543304 0.054 Uiso 1 1 calc R U . . .
C155 C 0.12270(18) 0.5223(2) 0.53345(15) 0.0470(13) Uani 1 1 d . . . . .
C156 C 0.10139(17) 0.5665(2) 0.50676(15) 0.0453(13) Uani 1 1 d . . . . .
H156 H 0.074586 0.584395 0.512173 0.054 Uiso 1 1 calc R U . . .
C157 C 0.11734(16) 0.5861(2) 0.47212(14) 0.0374(11) Uani 1 1 d . . . . .
C158 C 0.22256(16) 0.4825(2) 0.48631(14) 0.0391(12) Uani 1 1 d . . . . .
H158 H 0.235085 0.504002 0.464535 0.047 Uiso 1 1 calc R U . . .
C159 C 0.25986(18) 0.4822(3) 0.52738(15) 0.0544(15) Uani 1 1 d . . . . .
H15J H 0.289196 0.470054 0.521438 0.082 Uiso 1 1 calc R U . . .
H15K H 0.251372 0.454179 0.547329 0.082 Uiso 1 1 calc R U . . .
H15L H 0.262949 0.522089 0.539715 0.082 Uiso 1 1 calc R U . . .
C160 C 0.21209(19) 0.4187(2) 0.47090(18) 0.0600(16) Uani 1 1 d . . . . .
H16A H 0.195182 0.419089 0.441213 0.090 Uiso 1 1 calc R U . . .
H16B H 0.193413 0.399260 0.488047 0.090 Uiso 1 1 calc R U . . .
H16C H 0.240989 0.396881 0.473571 0.090 Uiso 1 1 calc R U . . .
C161 C 0.1041(2) 0.5022(3) 0.57121(17) 0.0610(16) Uani 1 1 d D . . . .
H61D H 0.124309 0.468392 0.583973 0.073 Uiso 0.70(10) 1 calc R U P H 1
H61E H 0.124309 0.468392 0.583973 0.073 Uiso 0.30(10) 1 calc R U P H 1
C1A6 C 0.1091(15) 0.5468(15) 0.6053(10) 0.084(7) Uani 0.70(10) 1 d D U P H 1
H16D H 0.091180 0.582296 0.594420 0.126 Uiso 0.70(10) 1 calc R U P H 1
H16E H 0.141552 0.557575 0.615245 0.126 Uiso 0.70(10) 1 calc R U P H 1
H16F H 0.097712 0.530225 0.628778 0.126 Uiso 0.70(10) 1 calc R U P H 1
C1B6 C 0.095(4) 0.560(3) 0.5957(19) 0.086(17) Uani 0.30(10) 1 d . U P H 2
H16G H 0.064595 0.576094 0.582581 0.129 Uiso 0.30(10) 1 calc R U P H 2
H16H H 0.118573 0.590001 0.594280 0.129 Uiso 0.30(10) 1 calc R U P H 2
H16I H 0.096548 0.550318 0.625298 0.129 Uiso 0.30(10) 1 calc R U P H 2
C163 C 0.0573(3) 0.4766(3) 0.5580(2) 0.102(3) Uani 1 1 d D . . . .
H16J H 0.035461 0.507859 0.545539 0.154 Uiso 1 1 calc R U . . .
H16K H 0.048300 0.459833 0.582683 0.154 Uiso 1 1 calc R U . . .
H16L H 0.057053 0.445318 0.537043 0.154 Uiso 1 1 calc R U . . .
C164 C 0.08997(16) 0.6364(2) 0.44656(14) 0.0380(11) Uani 1 1 d . . . . .
H164 H 0.105102 0.646233 0.423042 0.046 Uiso 1 1 calc R U . . .
C165 C 0.09162(19) 0.6923(2) 0.47364(17) 0.0552(15) Uani 1 1 d . . . . .
H16M H 0.077857 0.725578 0.455693 0.083 Uiso 1 1 calc R U . . .
H16N H 0.123668 0.701680 0.487202 0.083 Uiso 1 1 calc R U . . .
H16O H 0.074379 0.685370 0.495387 0.083 Uiso 1 1 calc R U . . .
C166 C 0.04015(17) 0.6181(2) 0.42642(17) 0.0535(14) Uani 1 1 d . . . . .
H16P H 0.024573 0.650439 0.408459 0.080 Uiso 1 1 calc R U . . .
H16Q H 0.023919 0.609908 0.448719 0.080 Uiso 1 1 calc R U . . .
H16R H 0.040181 0.582410 0.409238 0.080 Uiso 1 1 calc R U . . .
C167 C 0.36322(17) 0.6908(2) 0.39387(14) 0.0393(12) Uani 1 1 d . . . . .
C168 C 0.33340(18) 0.7413(2) 0.38739(15) 0.0426(12) Uani 1 1 d . . . . .
C169 C 0.3510(2) 0.7972(2) 0.39788(18) 0.0599(16) Uani 1 1 d . . . . .
H169 H 0.330707 0.830145 0.392148 0.072 Uiso 1 1 calc R U . . .
C170 C 0.3966(3) 0.8077(3) 0.4162(2) 0.0754(19) Uani 1 1 d . . . . .
C171 C 0.4250(2) 0.7595(3) 0.42524(19) 0.0671(17) Uani 1 1 d . . . . .
H171 H 0.456281 0.765781 0.439239 0.080 Uiso 1 1 calc R U . . .
C172 C 0.41003(18) 0.7013(2) 0.41472(16) 0.0496(14) Uani 1 1 d . . . . .
C173 C 0.28179(18) 0.7371(2) 0.37009(15) 0.0457(13) Uani 1 1 d . . . . .
H173 H 0.272647 0.694747 0.372508 0.055 Uiso 1 1 calc R U . . .
C174 C 0.2553(2) 0.7749(2) 0.39543(18) 0.0604(16) Uani 1 1 d . . . . .
H17C H 0.260081 0.817065 0.390332 0.091 Uiso 1 1 calc R U . . .
H17D H 0.266310 0.766288 0.425624 0.091 Uiso 1 1 calc R U . . .
H17E H 0.222386 0.765668 0.386554 0.091 Uiso 1 1 calc R U . . .
C175 C 0.2660(2) 0.7550(3) 0.32382(17) 0.081(2) Uani 1 1 d . . . . .
H17F H 0.278897 0.793945 0.319653 0.122 Uiso 1 1 calc R U . . .
H17G H 0.232380 0.757054 0.315931 0.122 Uiso 1 1 calc R U . . .
H17H H 0.276706 0.725509 0.306116 0.122 Uiso 1 1 calc R U . . .
C176 C 0.4157(3) 0.8703(4) 0.4258(3) 0.123(3) Uani 1 1 d D . . . .
H76D H 0.386560 0.893689 0.421235 0.148 Uiso 0.815(12) 1 calc R U P I 1
H76E H 0.443038 0.871813 0.413009 0.148 Uiso 0.185(12) 1 calc R U P I 2
C177 C 0.4342(4) 0.8807(4) 0.4698(3) 0.185(6) Uani 1 1 d D . . . .
H17I H 0.462564 0.857663 0.479268 0.278 Uiso 1 1 calc R U . . .
H17J H 0.411775 0.868525 0.485779 0.278 Uiso 1 1 calc R U . . .
H17K H 0.441047 0.923056 0.474453 0.278 Uiso 1 1 calc R U . . .
C17A C 0.4346(4) 0.8929(5) 0.3920(4) 0.150(6) Uani 0.815(12) 1 d D U P I 1
H17L H 0.410722 0.893004 0.365598 0.225 Uiso 0.815(12) 1 calc R U P I 1
H17M H 0.460198 0.867557 0.388638 0.225 Uiso 0.815(12) 1 calc R U P I 1
H17N H 0.445811 0.933474 0.398649 0.225 Uiso 0.815(12) 1 calc R U P I 1
C17B C 0.3914(15) 0.9240(14) 0.4123(18) 0.148(8) Uani 0.185(12) 1 d D U P I 2
H17O H 0.371161 0.933288 0.431105 0.222 Uiso 0.185(12) 1 calc R U P I 2
H17P H 0.372974 0.919032 0.383327 0.222 Uiso 0.185(12) 1 calc R U P I 2
H17Q H 0.413436 0.956412 0.413044 0.222 Uiso 0.185(12) 1 calc R U P I 2
C179 C 0.44475(17) 0.6524(3) 0.42833(17) 0.0534(14) Uani 1 1 d . . . . .
H179 H 0.429509 0.614045 0.417669 0.064 Uiso 1 1 calc R U . . .
C180 C 0.4608(2) 0.6476(3) 0.47656(17) 0.0703(18) Uani 1 1 d . . . . .
H18C H 0.483647 0.615859 0.483878 0.105 Uiso 1 1 calc R U . . .
H18D H 0.434380 0.638637 0.488555 0.105 Uiso 1 1 calc R U . . .
H18E H 0.474565 0.685370 0.488063 0.105 Uiso 1 1 calc R U . . .
C181 C 0.48643(19) 0.6604(3) 0.40843(19) 0.0708(18) Uani 1 1 d . . . . .
H18F H 0.475625 0.665197 0.377766 0.106 Uiso 1 1 calc R U . . .
H18G H 0.506316 0.625371 0.414472 0.106 Uiso 1 1 calc R U . . .
H18H H 0.503804 0.695726 0.420405 0.106 Uiso 1 1 calc R U . . .
C182 C 0.39159(15) 0.5897(2) 0.34342(14) 0.0354(11) Uani 1 1 d . . . . .
C183 C 0.39296(17) 0.6263(2) 0.30844(15) 0.0431(12) Uani 1 1 d . . . . .
C184 C 0.42664(18) 0.6182(2) 0.28550(16) 0.0496(14) Uani 1 1 d . . . . .
H184 H 0.426770 0.643455 0.262114 0.059 Uiso 1 1 calc R U . . .
C185 C 0.45965(18) 0.5746(3) 0.29596(17) 0.0511(14) Uani 1 1 d . . . . .
C186 C 0.45757(17) 0.5381(2) 0.32887(16) 0.0488(13) Uani 1 1 d . . . . .
H186 H 0.479509 0.506968 0.335766 0.059 Uiso 1 1 calc R U . . .
C187 C 0.42468(16) 0.5441(2) 0.35301(15) 0.0419(12) Uani 1 1 d . . . . .
C188 C 0.35824(17) 0.6759(2) 0.29377(15) 0.0443(13) Uani 1 1 d . . . . .
H188 H 0.338571 0.678446 0.314704 0.053 Uiso 1 1 calc R U . . .
C189 C 0.3815(2) 0.7368(2) 0.29326(18) 0.0604(16) Uani 1 1 d . . . . .
H18I H 0.397548 0.737861 0.270198 0.091 Uiso 1 1 calc R U . . .
H18J H 0.403726 0.743121 0.320272 0.091 Uiso 1 1 calc R U . . .
H18K H 0.358160 0.768103 0.288992 0.091 Uiso 1 1 calc R U . . .
C190 C 0.32624(18) 0.6615(2) 0.25054(15) 0.0511(14) Uani 1 1 d . . . . .
H19A H 0.344300 0.659505 0.229017 0.077 Uiso 1 1 calc R U . . .
H19B H 0.302838 0.692567 0.242987 0.077 Uiso 1 1 calc R U . . .
H19C H 0.311199 0.623144 0.252097 0.077 Uiso 1 1 calc R U . . .
C191 C 0.49801(19) 0.5681(3) 0.27255(18) 0.0641(17) Uani 1 1 d D . . . .
H91D H 0.512144 0.528748 0.282116 0.077 Uiso 0.54(5) 1 calc R U P J 1
H91E H 0.518239 0.533821 0.284266 0.077 Uiso 0.46(5) 1 calc R U P J 2
C19A C 0.5351(8) 0.6129(12) 0.2922(11) 0.087(6) Uani 0.54(5) 1 d D U P J 1
H19D H 0.563038 0.604872 0.282329 0.131 Uiso 0.54(5) 1 calc R U P J 1
H19E H 0.541858 0.609364 0.323085 0.131 Uiso 0.54(5) 1 calc R U P J 1
H19F H 0.524172 0.653105 0.283892 0.131 Uiso 0.54(5) 1 calc R U P J 1
C19B C 0.5268(12) 0.6240(10) 0.2735(14) 0.087(6) Uani 0.46(5) 1 d D U P J 2
H19G H 0.551073 0.616677 0.258457 0.131 Uiso 0.46(5) 1 calc R U P J 2
H19H H 0.540654 0.634724 0.302883 0.131 Uiso 0.46(5) 1 calc R U P J 2
H19I H 0.507087 0.656491 0.259723 0.131 Uiso 0.46(5) 1 calc R U P J 2
C193 C 0.4799(3) 0.5606(5) 0.2255(2) 0.133(4) Uani 1 1 d D . . . .
H19J H 0.463506 0.596712 0.213645 0.199 Uiso 1 1 calc R U . . .
H19K H 0.458767 0.526740 0.220024 0.199 Uiso 1 1 calc R U . . .
H19L H 0.505621 0.553569 0.212151 0.199 Uiso 1 1 calc R U . . .
C194 C 0.42733(17) 0.5002(2) 0.38926(15) 0.0428(12) Uani 1 1 d . . . . .
H194 H 0.405503 0.514021 0.406325 0.051 Uiso 1 1 calc R U . . .
C195 C 0.47544(18) 0.4963(3) 0.41898(18) 0.0660(17) Uani 1 1 d . . . . .
H19M H 0.496192 0.475165 0.404744 0.099 Uiso 1 1 calc R U . . .
H19N H 0.473548 0.474860 0.444724 0.099 Uiso 1 1 calc R U . . .
H19O H 0.487267 0.536440 0.426416 0.099 Uiso 1 1 calc R U . . .
C196 C 0.4120(2) 0.4381(2) 0.37225(17) 0.0542(15) Uani 1 1 d . . . . .
H19P H 0.379827 0.439550 0.356381 0.081 Uiso 1 1 calc R U . . .
H19Q H 0.414955 0.410353 0.395946 0.081 Uiso 1 1 calc R U . . .
H19R H 0.431374 0.424721 0.353579 0.081 Uiso 1 1 calc R U . . .
C01_1 C 0.1942(5) 0.3401(7) -0.0546(4) 0.249(7) Uiso 1 1 d D U . . .
H01A_1 H 0.163701 0.358237 -0.059185 0.299 Uiso 1 1 calc R U . . .
H01B_1 H 0.207808 0.349323 -0.078496 0.299 Uiso 1 1 calc R U . . .
H01C_1 H 0.191464 0.296909 -0.052177 0.299 Uiso 1 1 calc R U . . .
C02_1 C 0.2225(5) 0.3625(7) -0.0173(5) 0.234(7) Uiso 1 1 d D U . . .
H02A_1 H 0.223303 0.406167 -0.020248 0.281 Uiso 1 1 calc R U . . .
H02B_1 H 0.207058 0.354071 0.005912 0.281 Uiso 1 1 calc R U . . .
C03_1 C 0.2678(4) 0.3430(5) -0.0041(4) 0.182(5) Uiso 1 1 d D U . . .
H03A_1 H 0.283597 0.349815 -0.027248 0.219 Uiso 1 1 calc R U . . .
H03B_1 H 0.267669 0.299719 0.001041 0.219 Uiso 1 1 calc R U . . .
C04_1 C 0.2938(4) 0.3713(5) 0.0333(3) 0.158(4) Uiso 1 1 d D U . . .
H04A_1 H 0.292848 0.414499 0.027475 0.189 Uiso 1 1 calc R U . . .
H04B_1 H 0.276652 0.365034 0.055613 0.189 Uiso 1 1 calc R U . . .
C05_1 C 0.3398(4) 0.3570(6) 0.0513(4) 0.207(6) Uiso 1 1 d D U . . .
H05A_1 H 0.357624 0.363991 0.029635 0.248 Uiso 1 1 calc R U . . .
H05B_1 H 0.341357 0.313908 0.057545 0.248 Uiso 1 1 calc R U . . .
C06_1 C 0.3626(5) 0.3882(6) 0.0895(4) 0.250(7) Uiso 1 1 d D U . . .
H06A_1 H 0.394369 0.374136 0.098700 0.300 Uiso 1 1 calc R U . . .
H06B_1 H 0.362555 0.430915 0.083754 0.300 Uiso 1 1 calc R U . . .
H61C_1 H 0.346220 0.380621 0.111781 0.300 Uiso 1 1 calc R U . . .
C01_2 C 0.4676(6) 0.7213(7) 0.6012(5) 0.306(9) Uiso 1 1 d D U . . .
H01A_2 H 0.446328 0.688232 0.591900 0.367 Uiso 1 1 calc R U . . .
H01B_2 H 0.482122 0.732615 0.578314 0.367 Uiso 1 1 calc R U . . .
H01C_2 H 0.491280 0.709116 0.625978 0.367 Uiso 1 1 calc R U . . .
C02_2 C 0.4423(5) 0.7717(7) 0.6123(5) 0.254(7) Uiso 1 1 d D U . . .
H02A_2 H 0.427080 0.759559 0.634889 0.305 Uiso 1 1 calc R U . . .
H02B_2 H 0.417931 0.783034 0.587272 0.305 Uiso 1 1 calc R U . . .
C03_2 C 0.4712(7) 0.8238(7) 0.6267(5) 0.307(9) Uiso 1 1 d D U . . .
H03A_2 H 0.458662 0.843120 0.648899 0.368 Uiso 1 1 calc R U . . .
H03B_2 H 0.502097 0.808645 0.640732 0.368 Uiso 1 1 calc R U . . .
C04_2 C 0.4777(6) 0.8675(7) 0.5996(5) 0.255(7) Uiso 1 1 d D U . . .
H04A_2 H 0.446864 0.882690 0.585651 0.306 Uiso 1 1 calc R U . . .
H04B_2 H 0.490205 0.848137 0.577389 0.306 Uiso 1 1 calc R U . . .
C05_2 C 0.5069(6) 0.9200(6) 0.6139(5) 0.240(7) Uiso 1 1 d D U . . .
H05A_2 H 0.534788 0.909009 0.635532 0.289 Uiso 1 1 calc R U . . .
H05B_2 H 0.489742 0.950797 0.625554 0.289 Uiso 1 1 calc R U . . .
C06_2 C 0.5190(6) 0.9411(7) 0.5740(5) 0.299(9) Uiso 1 1 d D U . . .
H06A_2 H 0.538607 0.976339 0.580139 0.359 Uiso 1 1 calc R U . . .
H06B_2 H 0.535475 0.909585 0.562860 0.359 Uiso 1 1 calc R U . . .
H06C_2 H 0.490779 0.951048 0.552959 0.359 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 '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
C19 Rh1 C20 36.69(19) . . ?
C19 Rh1 C16 82.0(2) . . ?
C20 Rh1 C16 96.1(2) . . ?
C19 Rh1 C23 88.72(19) . . ?
C20 Rh1 C23 80.82(19) . . ?
C16 Rh1 C23 35.75(19) . . ?
C19 Rh1 Si3 163.06(16) . . ?
C20 Rh1 Si3 157.18(16) . . ?
C16 Rh1 Si3 99.32(14) . . ?
C23 Rh1 Si3 102.29(13) . . ?
C19 Rh1 Ge1 95.18(14) . . ?
C20 Rh1 Ge1 103.05(15) . . ?
C16 Rh1 Ge1 143.65(16) . . ?
C23 Rh1 Ge1 175.92(13) . . ?
Si3 Rh1 Ge1 73.64(3) . . ?
N1 Ge1 N2 65.00(16) . . ?
N1 Ge1 Rh1 127.37(12) . . ?
N2 Ge1 Rh1 119.70(11) . . ?
N1 Ge1 C1 32.16(16) . . ?
N2 Ge1 C1 32.84(15) . . ?
Rh1 Ge1 C1 130.70(12) . . ?
N1 Ge1 Si4 111.42(13) . . ?
N2 Ge1 Si4 117.56(12) . . ?
Rh1 Ge1 Si4 109.77(3) . . ?
C1 Ge1 Si4 119.52(12) . . ?
N1 Ge1 Si3 154.10(12) . . ?
N2 Ge1 Si3 140.51(11) . . ?
Rh1 Ge1 Si3 52.32(3) . . ?
C1 Ge1 Si3 172.59(12) . . ?
Si4 Ge1 Si3 57.88(4) . . ?
Si3 Si1 Si4 68.55(6) . . ?
Si3 Si1 Si2 143.64(8) . . ?
Si4 Si1 Si2 131.27(7) . . ?
Si3 Si1 Si6 59.88(5) . . ?
Si4 Si1 Si6 80.55(6) . . ?
Si2 Si1 Si6 141.30(7) . . ?
C54 Si2 C39 107.6(2) . . ?
C54 Si2 Cl1 113.13(16) . . ?
C39 Si2 Cl1 99.91(15) . . ?
C54 Si2 Si1 110.60(14) . . ?
C39 Si2 Si1 124.69(16) . . ?
Cl1 Si2 Si1 100.12(7) . . ?
Si1 Si3 Si6 62.26(5) . . ?
Si1 Si3 Rh1 128.19(7) . . ?
Si6 Si3 Rh1 169.36(7) . . ?
Si1 Si3 Si4 56.15(5) . . ?
Si6 Si3 Si4 76.01(5) . . ?
Rh1 Si3 Si4 107.51(5) . . ?
Si1 Si3 Ge1 96.77(5) . . ?
Si6 Si3 Ge1 127.25(6) . . ?
Rh1 Si3 Ge1 54.04(3) . . ?
Si4 Si3 Ge1 53.88(4) . . ?
Si1 Si4 Si5 95.88(6) . . ?
Si1 Si4 Ge1 107.27(6) . . ?
Si5 Si4 Ge1 126.36(6) . . ?
Si1 Si4 Si3 55.31(5) . . ?
Si5 Si4 Si3 88.80(6) . . ?
Ge1 Si4 Si3 68.24(4) . . ?
C84 Si5 C69 104.61(19) . . ?
C84 Si5 Si6 124.55(14) . . ?
C69 Si5 Si6 115.59(14) . . ?
C84 Si5 Si4 106.18(13) . . ?
C69 Si5 Si4 126.39(15) . . ?
Si6 Si5 Si4 79.50(6) . . ?
C24 Si6 Si3 131.12(15) . . ?
C24 Si6 Si5 129.28(15) . . ?
Si3 Si6 Si5 95.79(6) . . ?
C24 Si6 Si1 124.17(14) . . ?
Si3 Si6 Si1 57.87(5) . . ?
Si5 Si6 Si1 94.48(6) . . ?
C1 N1 C2 130.3(4) . . ?
C1 N1 Ge1 93.7(3) . . ?
C2 N1 Ge1 134.6(3) . . ?
C1 N2 C12 127.9(4) . . ?
C1 N2 Ge1 92.1(3) . . ?
C12 N2 Ge1 137.3(3) . . ?
N1 C1 N2 109.2(4) . . ?
N1 C1 C6 124.6(5) . . ?
N2 C1 C6 126.2(4) . . ?
N1 C1 Ge1 54.1(2) . . ?
N2 C1 Ge1 55.1(2) . . ?
C6 C1 Ge1 177.8(4) . . ?
N1 C2 C5A 116.8(8) . . ?
N1 C2 C3 105.0(4) . . ?
C5A C2 C3 115.2(9) . . ?
N1 C2 C4B 121.1(15) . . ?
C3 C2 C4B 113.0(14) . . ?
N1 C2 C4A 105.1(9) . . ?
C5A C2 C4A 106.8(9) . . ?
C3 C2 C4A 107.1(9) . . ?
N1 C2 C5B 103.2(13) . . ?
C3 C2 C5B 99.6(12) . . ?
C4B C2 C5B 112.5(13) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4A H4AA 109.5 . . ?
C2 C4A H4AB 109.5 . . ?
H4AA C4A H4AB 109.5 . . ?
C2 C4A H4AC 109.5 . . ?
H4AA C4A H4AC 109.5 . . ?
H4AB C4A H4AC 109.5 . . ?
C2 C5A H5AA 109.5 . . ?
C2 C5A H5AB 109.5 . . ?
H5AA C5A H5AB 109.5 . . ?
C2 C5A H5AC 109.5 . . ?
H5AA C5A H5AC 109.5 . . ?
H5AB C5A H5AC 109.5 . . ?
C2 C4B H4BA 109.5 . . ?
C2 C4B H4BB 109.5 . . ?
H4BA C4B H4BB 109.5 . . ?
C2 C4B H4BC 109.5 . . ?
H4BA C4B H4BC 109.5 . . ?
H4BB C4B H4BC 109.5 . . ?
C2 C5B H5BA 109.5 . . ?
C2 C5B H5BB 109.5 . . ?
H5BA C5B H5BB 109.5 . . ?
C2 C5B H5BC 109.5 . . ?
H5BA C5B H5BC 109.5 . . ?
H5BB C5B H5BC 109.5 . . ?
C7 C6 C11 118.3(5) . . ?
C7 C6 C1 119.6(5) . . ?
C11 C6 C1 121.9(5) . . ?
C6 C7 C8 121.7(6) . . ?
C6 C7 H7 119.1 . . ?
C8 C7 H7 119.1 . . ?
C9 C8 C7 119.5(7) . . ?
C9 C8 H8 120.3 . . ?
C7 C8 H8 120.3 . . ?
C10 C9 C8 120.0(6) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C9 C10 C11 120.4(7) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 H10 119.8 . . ?
C6 C11 C10 120.0(6) . . ?
C6 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
N2 C12 C14 112.0(4) . . ?
N2 C12 C13 112.3(4) . . ?
C14 C12 C13 109.5(4) . . ?
N2 C12 C15 104.6(4) . . ?
C14 C12 C15 109.4(5) . . ?
C13 C12 C15 108.8(4) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C23 C16 C17 125.3(5) . . ?
C23 C16 Rh1 74.0(3) . . ?
C17 C16 Rh1 107.2(4) . . ?
C23 C16 H16 114.2 . . ?
C17 C16 H16 114.2 . . ?
Rh1 C16 H16 114.2 . . ?
C16 C17 C18 115.2(5) . . ?
C16 C17 H17A 108.5 . . ?
C18 C17 H17A 108.5 . . ?
C16 C17 H17B 108.5 . . ?
C18 C17 H17B 108.5 . . ?
H17A C17 H17B 107.5 . . ?
C19 C18 C17 114.3(4) . . ?
C19 C18 H18A 108.7 . . ?
C17 C18 H18A 108.7 . . ?
C19 C18 H18B 108.7 . . ?
C17 C18 H18B 108.7 . . ?
H18A C18 H18B 107.6 . . ?
C20 C19 C18 125.4(5) . . ?
C20 C19 Rh1 71.7(3) . . ?
C18 C19 Rh1 111.5(3) . . ?
C20 C19 H19 113.6 . . ?
C18 C19 H19 113.6 . . ?
Rh1 C19 H19 113.6 . . ?
C19 C20 C21 125.3(5) . . ?
C19 C20 Rh1 71.6(3) . . ?
C21 C20 Rh1 109.4(3) . . ?
C19 C20 H20 114.1 . . ?
C21 C20 H20 114.1 . . ?
Rh1 C20 H20 114.1 . . ?
C20 C21 C22 114.9(5) . . ?
C20 C21 H21A 108.5 . . ?
C22 C21 H21A 108.5 . . ?
C20 C21 H21B 108.5 . . ?
C22 C21 H21B 108.5 . . ?
H21A C21 H21B 107.5 . . ?
C21 C22 C23 114.4(4) . . ?
C21 C22 H22A 108.7 . . ?
C23 C22 H22A 108.7 . . ?
C21 C22 H22B 108.7 . . ?
C23 C22 H22B 108.7 . . ?
H22A C22 H22B 107.6 . . ?
C16 C23 C22 123.3(5) . . ?
C16 C23 Rh1 70.2(3) . . ?
C22 C23 Rh1 110.1(3) . . ?
C16 C23 H23 114.9 . . ?
C22 C23 H23 114.9 . . ?
Rh1 C23 H23 114.9 . . ?
C25 C24 C29 118.0(4) . . ?
C25 C24 Si6 119.9(3) . . ?
C29 C24 Si6 122.1(3) . . ?
C26 C25 C24 119.8(4) . . ?
C26 C25 C30 116.7(4) . . ?
C24 C25 C30 123.5(4) . . ?
C27 C26 C25 123.0(5) . . ?
C27 C26 H26 118.5 . . ?
C25 C26 H26 118.5 . . ?
C26 C27 C28 117.3(4) . . ?
C26 C27 C33 119.0(5) . . ?
C28 C27 C33 123.6(5) . . ?
C27 C28 C29 122.6(5) . . ?
C27 C28 H28 118.7 . . ?
C29 C28 H28 118.7 . . ?
C28 C29 C24 119.2(4) . . ?
C28 C29 C36 117.3(4) . . ?
C24 C29 C36 123.5(4) . . ?
C32 C30 C25 110.1(4) . . ?
C32 C30 C31 111.4(4) . . ?
C25 C30 C31 112.4(4) . . ?
C32 C30 H30 107.6 . . ?
C25 C30 H30 107.6 . . ?
C31 C30 H30 107.6 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 C35A 74.1(17) . . ?
C34 C33 C35B 109.5(9) . . ?
C34 C33 C27 114.3(6) . . ?
C35A C33 C27 107.7(13) . . ?
C35B C33 C27 111.3(6) . . ?
C34 C33 H33A 117.6 . . ?
C35A C33 H33A 117.6 . . ?
C27 C33 H33A 117.6 . . ?
C34 C33 H33B 107.1 . . ?
C35B C33 H33B 107.1 . . ?
C27 C33 H33B 107.1 . . ?
C33 C34 C35A 53.5(9) . . ?
C33 C34 H34A 109.5 . . ?
C35A C34 H34A 154.2 . . ?
C33 C34 H34B 109.5 . . ?
C35A C34 H34B 95.4 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
C35A C34 H34C 66.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35A C34 52.4(9) . . ?
C33 C35A H35A 109.5 . . ?
C34 C35A H35A 77.9 . . ?
C33 C35A H35B 109.5 . . ?
C34 C35A H35B 82.6 . . ?
H35A C35A H35B 109.5 . . ?
C33 C35A H35C 109.5 . . ?
C34 C35A H35C 161.6 . . ?
H35A C35A H35C 109.5 . . ?
H35B C35A H35C 109.5 . . ?
C33 C35B H35D 109.5 . . ?
C33 C35B H35E 109.5 . . ?
H35D C35B H35E 109.5 . . ?
C33 C35B H35F 109.5 . . ?
H35D C35B H35F 109.5 . . ?
H35E C35B H35F 109.5 . . ?
C37 C36 C38 110.6(4) . . ?
C37 C36 C29 112.7(4) . . ?
C38 C36 C29 111.5(4) . . ?
C37 C36 H36 107.3 . . ?
C38 C36 H36 107.3 . . ?
C29 C36 H36 107.3 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C44 C39 C40 117.9(4) . . ?
C44 C39 Si2 125.0(3) . . ?
C40 C39 Si2 117.1(3) . . ?
C41 C40 C39 118.8(4) . . ?
C41 C40 C45 116.9(4) . . ?
C39 C40 C45 124.3(4) . . ?
C42 C41 C40 123.7(5) . . ?
C42 C41 H41 118.1 . . ?
C40 C41 H41 118.1 . . ?
C41 C42 C43 117.1(5) . . ?
C41 C42 C48 121.6(5) . . ?
C43 C42 C48 121.3(5) . . ?
C42 C43 C44 122.4(5) . . ?
C42 C43 H43 118.8 . . ?
C44 C43 H43 118.8 . . ?
C43 C44 C39 119.9(4) . . ?
C43 C44 C51 116.6(4) . . ?
C39 C44 C51 123.4(4) . . ?
C47 C45 C40 110.8(4) . . ?
C47 C45 C46 111.2(5) . . ?
C40 C45 C46 111.4(4) . . ?
C47 C45 H45 107.8 . . ?
C40 C45 H45 107.8 . . ?
C46 C45 H45 107.8 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C50 C48 C49 110.9(5) . . ?
C50 C48 C42 111.1(5) . . ?
C49 C48 C42 111.7(5) . . ?
C50 C48 H48 107.7 . . ?
C49 C48 H48 107.7 . . ?
C42 C48 H48 107.7 . . ?
C48 C49 H49A 109.5 . . ?
C48 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C48 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C48 C50 H50A 109.5 . . ?
C48 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C48 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C52 C51 C44 111.0(4) . . ?
C52 C51 C53 109.7(4) . . ?
C44 C51 C53 111.0(4) . . ?
C52 C51 H51 108.4 . . ?
C44 C51 H51 108.4 . . ?
C53 C51 H51 108.4 . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C51 C53 H53A 109.5 . . ?
C51 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C51 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C55 C54 C59 118.0(4) . . ?
C55 C54 Si2 116.0(3) . . ?
C59 C54 Si2 125.7(4) . . ?
C56 C55 C54 119.9(5) . . ?
C56 C55 C60 117.1(5) . . ?
C54 C55 C60 123.0(4) . . ?
C57 C56 C55 122.3(5) . . ?
C57 C56 H56 118.9 . . ?
C55 C56 H56 118.9 . . ?
C58 C57 C56 117.3(5) . . ?
C58 C57 C63A 114.1(13) . . ?
C56 C57 C63A 128.5(13) . . ?
C58 C57 C63B 126.8(10) . . ?
C56 C57 C63B 115.9(9) . . ?
C57 C58 C59 123.8(5) . . ?
C57 C58 H58 118.1 . . ?
C59 C58 H58 118.1 . . ?
C58 C59 C54 118.4(5) . . ?
C58 C59 C66 117.2(5) . . ?
C54 C59 C66 124.4(4) . . ?
C55 C60 C62 112.5(4) . . ?
C55 C60 C61 112.2(4) . . ?
C62 C60 C61 110.7(4) . . ?
C55 C60 H60 107.0 . . ?
C62 C60 H60 107.0 . . ?
C61 C60 H60 107.0 . . ?
C60 C61 H61A 109.5 . . ?
C60 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C60 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C60 C62 H62A 109.5 . . ?
C60 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C60 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C64A C63A C65A 100(2) . . ?
C64A C63A C57 106.7(19) . . ?
C65A C63A C57 110.0(19) . . ?
C64A C63A H63A 113.0 . . ?
C65A C63A H63A 113.0 . . ?
C57 C63A H63A 113.0 . . ?
C63A C64A H64A 109.5 . . ?
C63A C64A H64B 109.5 . . ?
H64A C64A H64B 109.5 . . ?
C63A C64A H64C 109.5 . . ?
H64A C64A H64C 109.5 . . ?
H64B C64A H64C 109.5 . . ?
C63A C65A H65A 109.5 . . ?
C63A C65A H65B 109.5 . . ?
H65A C65A H65B 109.5 . . ?
C63A C65A H65C 109.5 . . ?
H65A C65A H65C 109.5 . . ?
H65B C65A H65C 109.5 . . ?
C64B C63B C57 112.2(13) . . ?
C64B C63B C65B 100.8(14) . . ?
C57 C63B C65B 104.8(12) . . ?
C64B C63B H63B 112.7 . . ?
C57 C63B H63B 112.7 . . ?
C65B C63B H63B 112.7 . . ?
C63B C64B H64D 109.5 . . ?
C63B C64B H64E 109.5 . . ?
H64D C64B H64E 109.5 . . ?
C63B C64B H64F 109.5 . . ?
H64D C64B H64F 109.5 . . ?
H64E C64B H64F 109.5 . . ?
C63B C65B H65D 109.5 . . ?
C63B C65B H65E 109.5 . . ?
H65D C65B H65E 109.5 . . ?
C63B C65B H65F 109.5 . . ?
H65D C65B H65F 109.5 . . ?
H65E C65B H65F 109.5 . . ?
C59 C66 C67 112.7(5) . . ?
C59 C66 C68 112.5(5) . . ?
C67 C66 C68 109.0(5) . . ?
C59 C66 H66 107.5 . . ?
C67 C66 H66 107.5 . . ?
C68 C66 H66 107.5 . . ?
C66 C67 H67A 109.5 . . ?
C66 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
C66 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C66 C68 H68A 109.5 . . ?
C66 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C66 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C70 C69 C74 116.8(4) . . ?
C70 C69 Si5 125.3(4) . . ?
C74 C69 Si5 117.9(3) . . ?
C71 C70 C69 119.4(5) . . ?
C71 C70 C75 116.3(4) . . ?
C69 C70 C75 124.3(4) . . ?
C72 C71 C70 123.8(5) . . ?
C72 C71 H71 118.1 . . ?
C70 C71 H71 118.1 . . ?
C73 C72 C71 116.4(5) . . ?
C73 C72 C78 121.4(6) . . ?
C71 C72 C78 122.1(6) . . ?
C72 C73 C74 122.8(5) . . ?
C72 C73 H73 118.6 . . ?
C74 C73 H73 118.6 . . ?
C73 C74 C69 120.6(5) . . ?
C73 C74 C81 115.5(4) . . ?
C69 C74 C81 123.9(4) . . ?
C77 C75 C76 107.9(4) . . ?
C77 C75 C70 113.3(5) . . ?
C76 C75 C70 111.8(4) . . ?
C77 C75 H75 107.9 . . ?
C76 C75 H75 107.9 . . ?
C70 C75 H75 107.9 . . ?
C75 C76 H76A 109.5 . . ?
C75 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C75 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C75 C77 H77A 109.5 . . ?
C75 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
C75 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C80 C78 C79 115.5(8) . . ?
C80 C78 C72 110.8(7) . . ?
C79 C78 C72 110.7(7) . . ?
C80 C78 H78 106.4 . . ?
C79 C78 H78 106.4 . . ?
C72 C78 H78 106.4 . . ?
C78 C79 H79A 109.5 . . ?
C78 C79 H79B 109.5 . . ?
H79A C79 H79B 109.5 . . ?
C78 C79 H79C 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C78 C80 H80A 109.5 . . ?
C78 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C78 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C82 C81 C74 110.7(4) . . ?
C82 C81 C83 111.2(5) . . ?
C74 C81 C83 113.0(4) . . ?
C82 C81 H81 107.2 . . ?
C74 C81 H81 107.2 . . ?
C83 C81 H81 107.2 . . ?
C81 C82 H82A 109.5 . . ?
C81 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
C81 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C81 C83 H83A 109.5 . . ?
C81 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
C81 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C89 C84 C85 117.6(4) . . ?
C89 C84 Si5 126.9(3) . . ?
C85 C84 Si5 115.3(3) . . ?
C86 C85 C84 119.6(4) . . ?
C86 C85 C90 117.8(4) . . ?
C84 C85 C90 122.6(4) . . ?
C87 C86 C85 122.8(4) . . ?
C87 C86 H86 118.6 . . ?
C85 C86 H86 118.6 . . ?
C88 C87 C86 117.7(5) . . ?
C88 C87 C96 121.8(5) . . ?
C86 C87 C96 120.5(5) . . ?
C87 C88 C89 122.0(4) . . ?
C87 C88 H88 119.0 . . ?
C89 C88 H88 119.0 . . ?
C88 C89 C84 120.3(4) . . ?
C88 C89 C93 116.1(4) . . ?
C84 C89 C93 123.6(4) . . ?
C91 C90 C85 112.2(4) . . ?
C91 C90 C92 112.5(4) . . ?
C85 C90 C92 111.3(4) . . ?
C91 C90 H90 106.8 . . ?
C85 C90 H90 106.8 . . ?
C92 C90 H90 106.8 . . ?
C90 C91 H91A 109.5 . . ?
C90 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
C90 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C90 C92 H92A 109.5 . . ?
C90 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C90 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C89 C93 C95 112.7(4) . . ?
C89 C93 C94 110.8(4) . . ?
C95 C93 C94 109.8(4) . . ?
C89 C93 H93 107.8 . . ?
C95 C93 H93 107.8 . . ?
C94 C93 H93 107.8 . . ?
C93 C94 H94A 109.5 . . ?
C93 C94 H94B 109.5 . . ?
H94A C94 H94B 109.5 . . ?
C93 C94 H94C 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
C93 C95 H95A 109.5 . . ?
C93 C95 H95B 109.5 . . ?
H95A C95 H95B 109.5 . . ?
C93 C95 H95C 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C97B C96 C98 123.2(19) . . ?
C98 C96 C97A 107.3(7) . . ?
C97B C96 C87 117.9(18) . . ?
C98 C96 C87 113.5(5) . . ?
C97A C96 C87 108.2(6) . . ?
C98 C96 H96A 109.2 . . ?
C97A C96 H96A 109.2 . . ?
C87 C96 H96A 109.2 . . ?
C97B C96 H96B 97.8 . . ?
C98 C96 H96B 97.8 . . ?
C87 C96 H96B 97.8 . . ?
C96 C97A H97A 109.5 . . ?
C96 C97A H97B 109.5 . . ?
H97A C97A H97B 109.5 . . ?
C96 C97A H97C 109.5 . . ?
H97A C97A H97C 109.5 . . ?
H97B C97A H97C 109.5 . . ?
C96 C97B H97D 109.5 . . ?
C96 C97B H97E 109.5 . . ?
H97D C97B H97E 109.5 . . ?
C96 C97B H97F 109.5 . . ?
H97D C97B H97F 109.5 . . ?
H97E C97B H97F 109.5 . . ?
C96 C98 H98A 109.5 . . ?
C96 C98 H98B 109.5 . . ?
H98A C98 H98B 109.5 . . ?
C96 C98 H98C 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C121 Rh2 C117 96.7(2) . . ?
C121 Rh2 C114 36.95(19) . . ?
C117 Rh2 C114 82.2(2) . . ?
C121 Rh2 C118 80.7(2) . . ?
C117 Rh2 C118 35.9(2) . . ?
C114 Rh2 C118 88.29(19) . . ?
C121 Rh2 Si9 157.17(16) . . ?
C117 Rh2 Si9 98.67(15) . . ?
C114 Rh2 Si9 163.04(15) . . ?
C118 Rh2 Si9 102.37(13) . . ?
C121 Rh2 Ge2 104.43(15) . . ?
C117 Rh2 Ge2 141.54(18) . . ?
C114 Rh2 Ge2 95.70(14) . . ?
C118 Rh2 Ge2 174.89(14) . . ?
Si9 Rh2 Ge2 73.01(3) . . ?
N3 Ge2 N4 65.42(15) . . ?
N3 Ge2 Rh2 127.30(12) . . ?
N4 Ge2 Rh2 120.74(11) . . ?
N3 Ge2 C99 32.31(16) . . ?
N4 Ge2 C99 33.11(15) . . ?
Rh2 Ge2 C99 131.58(12) . . ?
N3 Ge2 Si10 111.77(12) . . ?
N4 Ge2 Si10 115.27(12) . . ?
Rh2 Ge2 Si10 110.04(3) . . ?
C99 Ge2 Si10 118.34(12) . . ?
N3 Ge2 Si9 155.76(12) . . ?
N4 Ge2 Si9 138.24(12) . . ?
Rh2 Ge2 Si9 52.38(3) . . ?
C99 Ge2 Si9 170.50(13) . . ?
Si10 Ge2 Si9 58.23(4) . . ?
Si9 Si7 Si10 68.35(6) . . ?
Si9 Si7 Si8 145.27(8) . . ?
Si10 Si7 Si8 132.04(7) . . ?
Si9 Si7 Si12 60.04(5) . . ?
Si10 Si7 Si12 80.77(6) . . ?
Si8 Si7 Si12 139.15(7) . . ?
C137 Si8 C152 109.0(2) . . ?
C137 Si8 Cl2 112.72(15) . . ?
C152 Si8 Cl2 99.55(15) . . ?
C137 Si8 Si7 109.77(14) . . ?
C152 Si8 Si7 125.25(15) . . ?
Cl2 Si8 Si7 99.54(7) . . ?
Si7 Si9 Rh2 127.35(7) . . ?
Si7 Si9 Si12 61.73(5) . . ?
Rh2 Si9 Si12 170.91(7) . . ?
Si7 Si9 Si10 56.34(5) . . ?
Rh2 Si9 Si10 108.24(5) . . ?
Si12 Si9 Si10 76.07(5) . . ?
Si7 Si9 Ge2 97.00(5) . . ?
Rh2 Si9 Ge2 54.61(3) . . ?
Si12 Si9 Ge2 127.86(6) . . ?
Si10 Si9 Ge2 54.18(4) . . ?
Si7 Si10 Si11 95.33(6) . . ?
Si7 Si10 Ge2 106.60(6) . . ?
Si11 Si10 Ge2 126.41(6) . . ?
Si7 Si10 Si9 55.31(5) . . ?
Si11 Si10 Si9 88.27(6) . . ?
Ge2 Si10 Si9 67.59(4) . . ?
C167 Si11 C182 104.3(2) . . ?
C167 Si11 Si12 114.33(15) . . ?
C182 Si11 Si12 124.47(15) . . ?
C167 Si11 Si10 125.43(16) . . ?
C182 Si11 Si10 109.18(15) . . ?
Si12 Si11 Si10 79.41(6) . . ?
C122 Si12 Si9 131.52(15) . . ?
C122 Si12 Si11 128.09(15) . . ?
Si9 Si12 Si11 95.73(6) . . ?
C122 Si12 Si7 125.28(15) . . ?
Si9 Si12 Si7 58.23(5) . . ?
Si11 Si12 Si7 95.12(6) . . ?
C99 N3 C100 130.4(4) . . ?
C99 N3 Ge2 93.3(3) . . ?
C100 N3 Ge2 135.0(3) . . ?
C99 N4 C110 129.6(4) . . ?
C99 N4 Ge2 91.4(3) . . ?
C110 N4 Ge2 135.4(3) . . ?
N3 C99 N4 109.9(4) . . ?
N3 C99 C104 126.3(5) . . ?
N4 C99 C104 123.7(5) . . ?
N3 C99 Ge2 54.4(2) . . ?
N4 C99 Ge2 55.5(2) . . ?
C104 C99 Ge2 177.5(4) . . ?
C1A3 C100 N3 117.2(9) . . ?
N3 C100 C1B1 124.4(16) . . ?
C1A3 C100 C102 116.4(9) . . ?
N3 C100 C102 105.6(4) . . ?
C1B1 C100 C102 114.4(14) . . ?
C1A3 C100 C1A1 102.1(14) . . ?
N3 C100 C1A1 106.6(8) . . ?
C102 C100 C1A1 108.3(7) . . ?
N3 C100 C1B3 103.4(8) . . ?
C1B1 C100 C1B3 106(2) . . ?
C102 C100 C1B3 99.5(9) . . ?
C100 C1A1 H1AA 109.5 . . ?
C100 C1A1 H1AB 109.5 . . ?
H1AA C1A1 H1AB 109.5 . . ?
C100 C1A1 H1AC 109.5 . . ?
H1AA C1A1 H1AC 109.5 . . ?
H1AB C1A1 H1AC 109.5 . . ?
C100 C1B1 H1BA 109.5 . . ?
C100 C1B1 H1BB 109.5 . . ?
H1BA C1B1 H1BB 109.5 . . ?
C100 C1B1 H1BC 109.5 . . ?
H1BA C1B1 H1BC 109.5 . . ?
H1BB C1B1 H1BC 109.5 . . ?
C100 C102 H10A 109.5 . . ?
C100 C102 H10B 109.5 . . ?
H10A C102 H10B 109.5 . . ?
C100 C102 H10C 109.5 . . ?
H10A C102 H10C 109.5 . . ?
H10B C102 H10C 109.5 . . ?
C100 C1A3 H1AD 109.5 . . ?
C100 C1A3 H1AE 109.5 . . ?
H1AD C1A3 H1AE 109.5 . . ?
C100 C1A3 H1AF 109.5 . . ?
H1AD C1A3 H1AF 109.5 . . ?
H1AE C1A3 H1AF 109.5 . . ?
C100 C1B3 H1BD 109.5 . . ?
C100 C1B3 H1BE 109.5 . . ?
H1BD C1B3 H1BE 109.5 . . ?
C100 C1B3 H1BF 109.5 . . ?
H1BD C1B3 H1BF 109.5 . . ?
H1BE C1B3 H1BF 109.5 . . ?
C109 C104 C105 118.0(5) . . ?
C109 C104 C99 121.9(5) . . ?
C105 C104 C99 120.1(5) . . ?
C106 C105 C104 122.0(6) . . ?
C106 C105 H105 119.0 . . ?
C104 C105 H105 119.0 . . ?
C105 C106 C107 119.5(7) . . ?
C105 C106 H106 120.3 . . ?
C107 C106 H106 120.3 . . ?
C108 C107 C106 120.6(6) . . ?
C108 C107 H107 119.7 . . ?
C106 C107 H107 119.7 . . ?
C107 C108 C109 119.8(7) . . ?
C107 C108 H108 120.1 . . ?
C109 C108 H108 120.1 . . ?
C104 C109 C108 120.2(7) . . ?
C104 C109 H109 119.9 . . ?
C108 C109 H109 119.9 . . ?
N4 C110 C112 104.5(4) . . ?
N4 C110 C111 112.2(4) . . ?
C112 C110 C111 109.2(5) . . ?
N4 C110 C113 112.0(4) . . ?
C112 C110 C113 109.3(5) . . ?
C111 C110 C113 109.5(5) . . ?
C110 C111 H11A 109.5 . . ?
C110 C111 H11B 109.5 . . ?
H11A C111 H11B 109.5 . . ?
C110 C111 H11C 109.5 . . ?
H11A C111 H11C 109.5 . . ?
H11B C111 H11C 109.5 . . ?
C110 C112 H11D 109.5 . . ?
C110 C112 H11E 109.5 . . ?
H11D C112 H11E 109.5 . . ?
C110 C112 H11F 109.5 . . ?
H11D C112 H11F 109.5 . . ?
H11E C112 H11F 109.5 . . ?
C110 C113 H11G 109.5 . . ?
C110 C113 H11H 109.5 . . ?
H11G C113 H11H 109.5 . . ?
C110 C113 H11I 109.5 . . ?
H11G C113 H11I 109.5 . . ?
H11H C113 H11I 109.5 . . ?
C121 C114 C115 124.9(5) . . ?
C121 C114 Rh2 70.4(3) . . ?
C115 C114 Rh2 110.2(3) . . ?
C121 C114 H114 114.3 . . ?
C115 C114 H114 114.3 . . ?
Rh2 C114 H114 114.3 . . ?
C114 C115 C116 114.5(4) . . ?
C114 C115 H11J 108.6 . . ?
C116 C115 H11J 108.6 . . ?
C114 C115 H11K 108.6 . . ?
C116 C115 H11K 108.6 . . ?
H11J C115 H11K 107.6 . . ?
C117 C116 C115 114.1(5) . . ?
C117 C116 H11L 108.7 . . ?
C115 C116 H11L 108.7 . . ?
C117 C116 H11M 108.7 . . ?
C115 C116 H11M 108.7 . . ?
H11L C116 H11M 107.6 . . ?
C118 C117 C116 125.4(5) . . ?
C118 C117 Rh2 74.3(3) . . ?
C116 C117 Rh2 107.3(3) . . ?
C118 C117 H117 114.0 . . ?
C116 C117 H117 114.0 . . ?
Rh2 C117 H117 114.0 . . ?
C117 C118 C119 124.4(5) . . ?
C117 C118 Rh2 69.8(3) . . ?
C119 C118 Rh2 110.6(3) . . ?
C117 C118 H118 114.5 . . ?
C119 C118 H118 114.5 . . ?
Rh2 C118 H118 114.5 . . ?
C118 C119 C120 113.4(5) . . ?
C118 C119 H11N 108.9 . . ?
C120 C119 H11N 108.9 . . ?
C118 C119 H11O 108.9 . . ?
C120 C119 H11O 108.9 . . ?
H11N C119 H11O 107.7 . . ?
C121 C120 C119 113.4(5) . . ?
C121 C120 H12A 108.9 . . ?
C119 C120 H12A 108.9 . . ?
C121 C120 H12B 108.9 . . ?
C119 C120 H12B 108.9 . . ?
H12A C120 H12B 107.7 . . ?
C114 C121 C120 126.1(5) . . ?
C114 C121 Rh2 72.6(3) . . ?
C120 C121 Rh2 109.6(3) . . ?
C114 C121 H121 113.6 . . ?
C120 C121 H121 113.6 . . ?
Rh2 C121 H121 113.6 . . ?
C127 C122 C123 118.0(4) . . ?
C127 C122 Si12 120.7(3) . . ?
C123 C122 Si12 121.3(3) . . ?
C124 C123 C122 119.0(4) . . ?
C124 C123 C128 118.2(4) . . ?
C122 C123 C128 122.7(4) . . ?
C125 C124 C123 123.0(4) . . ?
C125 C124 H124 118.5 . . ?
C123 C124 H124 118.5 . . ?
C126 C125 C124 117.5(4) . . ?
C126 C125 C131 123.8(5) . . ?
C124 C125 C131 118.6(4) . . ?
C125 C126 C127 122.4(4) . . ?
C125 C126 H126 118.8 . . ?
C127 C126 H126 118.8 . . ?
C126 C127 C122 120.1(4) . . ?
C126 C127 C134 117.0(4) . . ?
C122 C127 C134 122.9(4) . . ?
C123 C128 C130 111.9(4) . . ?
C123 C128 C129 112.1(4) . . ?
C130 C128 C129 109.9(4) . . ?
C123 C128 H128 107.6 . . ?
C130 C128 H128 107.6 . . ?
C129 C128 H128 107.6 . . ?
C128 C129 H12C 109.5 . . ?
C128 C129 H12D 109.5 . . ?
H12C C129 H12D 109.5 . . ?
C128 C129 H12E 109.5 . . ?
H12C C129 H12E 109.5 . . ?
H12D C129 H12E 109.5 . . ?
C128 C130 H13D 109.5 . . ?
C128 C130 H13E 109.5 . . ?
H13D C130 H13E 109.5 . . ?
C128 C130 H13F 109.5 . . ?
H13D C130 H13F 109.5 . . ?
H13E C130 H13F 109.5 . . ?
C133 C131 C13A 87(2) . . ?
C133 C131 C13B 116.1(8) . . ?
C133 C131 C125 114.1(5) . . ?
C13A C131 C125 108.4(16) . . ?
C13B C131 C125 110.2(5) . . ?
C133 C131 H31D 114.7 . . ?
C13A C131 H31D 114.6 . . ?
C125 C131 H31D 114.7 . . ?
C133 C131 H31E 105.1 . . ?
C13B C131 H31E 105.1 . . ?
C125 C131 H31E 105.1 . . ?
C131 C13A C133 46.4(13) . . ?
C131 C13A H13G 109.3 . . ?
C133 C13A H13G 72.3 . . ?
C131 C13A H13H 109.5 . . ?
C133 C13A H13H 97.3 . . ?
H13G C13A H13H 109.5 . . ?
C131 C13A H13I 109.5 . . ?
C133 C13A H13I 150.0 . . ?
H13G C13A H13I 109.5 . . ?
H13H C13A H13I 109.5 . . ?
C131 C13B H13J 109.4 . . ?
C131 C13B H13K 109.5 . . ?
H13J C13B H13K 109.5 . . ?
C131 C13B H13L 109.5 . . ?
H13J C13B H13L 109.5 . . ?
H13K C13B H13L 109.5 . . ?
C131 C133 C13A 46.4(13) . . ?
C131 C133 H13M 109.5 . . ?
C13A C133 H13M 151.0 . . ?
C131 C133 H13N 109.5 . . ?
C13A C133 H13N 95.9 . . ?
H13M C133 H13N 109.5 . . ?
C131 C133 H13O 109.5 . . ?
C13A C133 H13O 73.3 . . ?
H13M C133 H13O 109.5 . . ?
H13N C133 H13O 109.5 . . ?
C135 C134 C136 110.4(4) . . ?
C135 C134 C127 110.4(4) . . ?
C136 C134 C127 113.5(4) . . ?
C135 C134 H134 107.4 . . ?
C136 C134 H134 107.4 . . ?
C127 C134 H134 107.4 . . ?
C134 C135 H13P 109.5 . . ?
C134 C135 H13Q 109.5 . . ?
H13P C135 H13Q 109.5 . . ?
C134 C135 H13R 109.5 . . ?
H13P C135 H13R 109.5 . . ?
H13Q C135 H13R 109.5 . . ?
C134 C136 H13S 109.5 . . ?
C134 C136 H13T 109.5 . . ?
H13S C136 H13T 109.5 . . ?
C134 C136 H13U 109.5 . . ?
H13S C136 H13U 109.5 . . ?
H13T C136 H13U 109.5 . . ?
C138 C137 C142 117.2(4) . . ?
C138 C137 Si8 126.4(4) . . ?
C142 C137 Si8 116.1(3) . . ?
C139 C138 C137 119.3(5) . . ?
C139 C138 C143 116.9(4) . . ?
C137 C138 C143 123.9(4) . . ?
C140 C139 C138 122.7(5) . . ?
C140 C139 H139 118.7 . . ?
C138 C139 H139 118.7 . . ?
C141 C140 C139 117.5(5) . . ?
C141 C140 C146 121.0(5) . . ?
C139 C140 C146 121.5(5) . . ?
C140 C141 C142 122.6(5) . . ?
C140 C141 H141 118.7 . . ?
C142 C141 H141 118.7 . . ?
C141 C142 C137 120.2(4) . . ?
C141 C142 C149 117.3(4) . . ?
C137 C142 C149 122.4(4) . . ?
C145 C143 C138 111.9(4) . . ?
C145 C143 C144 109.1(4) . . ?
C138 C143 C144 111.6(4) . . ?
C145 C143 H143 108.0 . . ?
C138 C143 H143 108.0 . . ?
C144 C143 H143 108.0 . . ?
C143 C144 H14D 109.5 . . ?
C143 C144 H14E 109.5 . . ?
H14D C144 H14E 109.5 . . ?
C143 C144 H14F 109.5 . . ?
H14D C144 H14F 109.5 . . ?
H14E C144 H14F 109.5 . . ?
C143 C145 H14G 109.5 . . ?
C143 C145 H14H 109.5 . . ?
H14G C145 H14H 109.5 . . ?
C143 C145 H14I 109.5 . . ?
H14G C145 H14I 109.5 . . ?
H14H C145 H14I 109.5 . . ?
C14D C146 C14B 110.3(8) . . ?
C14A C146 C140 119.8(9) . . ?
C14D C146 C140 111.9(6) . . ?
C14B C146 C140 110.6(6) . . ?
C14A C146 C14C 99.3(12) . . ?
C140 C146 C14C 106.2(8) . . ?
C14A C146 H46D 110.2 . . ?
C140 C146 H46D 110.2 . . ?
C14C C146 H46D 110.2 . . ?
C14D C146 H46E 107.9 . . ?
C14B C146 H46E 107.9 . . ?
C140 C146 H46E 107.9 . . ?
C146 C14A H14J 109.5 . . ?
C146 C14A H14K 109.5 . . ?
H14J C14A H14K 109.5 . . ?
C146 C14A H14L 109.5 . . ?
H14J C14A H14L 109.5 . . ?
H14K C14A H14L 109.5 . . ?
C146 C14C H14M 109.5 . . ?
C146 C14C H14N 109.5 . . ?
H14M C14C H14N 109.5 . . ?
C146 C14C H14O 109.5 . . ?
H14M C14C H14O 109.5 . . ?
H14N C14C H14O 109.5 . . ?
C146 C14B H14P 109.5 . . ?
C146 C14B H14Q 109.5 . . ?
H14P C14B H14Q 109.5 . . ?
C146 C14B H14R 109.5 . . ?
H14P C14B H14R 109.5 . . ?
H14Q C14B H14R 109.5 . . ?
C146 C14D H14S 109.5 . . ?
C146 C14D H14T 109.5 . . ?
H14S C14D H14T 109.5 . . ?
C146 C14D H14U 109.5 . . ?
H14S C14D H14U 109.5 . . ?
H14T C14D H14U 109.5 . . ?
C142 C149 C151 112.7(4) . . ?
C142 C149 C150 111.1(4) . . ?
C151 C149 C150 110.8(4) . . ?
C142 C149 H149 107.3 . . ?
C151 C149 H149 107.3 . . ?
C150 C149 H149 107.3 . . ?
C149 C150 H15D 109.5 . . ?
C149 C150 H15E 109.5 . . ?
H15D C150 H15E 109.5 . . ?
C149 C150 H15F 109.5 . . ?
H15D C150 H15F 109.5 . . ?
H15E C150 H15F 109.5 . . ?
C149 C151 H15G 109.5 . . ?
C149 C151 H15H 109.5 . . ?
H15G C151 H15H 109.5 . . ?
C149 C151 H15I 109.5 . . ?
H15G C151 H15I 109.5 . . ?
H15H C151 H15I 109.5 . . ?
C153 C152 C157 118.2(4) . . ?
C153 C152 Si8 125.1(3) . . ?
C157 C152 Si8 116.7(3) . . ?
C154 C153 C152 118.9(4) . . ?
C154 C153 C158 116.2(4) . . ?
C152 C153 C158 124.8(4) . . ?
C155 C154 C153 123.5(5) . . ?
C155 C154 H154 118.2 . . ?
C153 C154 H154 118.2 . . ?
C154 C155 C156 117.1(4) . . ?
C154 C155 C161 121.6(5) . . ?
C156 C155 C161 121.3(5) . . ?
C155 C156 C157 123.0(5) . . ?
C155 C156 H156 118.5 . . ?
C157 C156 H156 118.5 . . ?
C156 C157 C152 119.3(4) . . ?
C156 C157 C164 115.8(4) . . ?
C152 C157 C164 124.9(4) . . ?
C153 C158 C159 112.4(4) . . ?
C153 C158 C160 111.6(4) . . ?
C159 C158 C160 109.5(4) . . ?
C153 C158 H158 107.7 . . ?
C159 C158 H158 107.7 . . ?
C160 C158 H158 107.7 . . ?
C158 C159 H15J 109.5 . . ?
C158 C159 H15K 109.5 . . ?
H15J C159 H15K 109.5 . . ?
C158 C159 H15L 109.5 . . ?
H15J C159 H15L 109.5 . . ?
H15K C159 H15L 109.5 . . ?
C158 C160 H16A 109.5 . . ?
C158 C160 H16B 109.5 . . ?
H16A C160 H16B 109.5 . . ?
C158 C160 H16C 109.5 . . ?
H16A C160 H16C 109.5 . . ?
H16B C160 H16C 109.5 . . ?
C1A6 C161 C163 113.8(17) . . ?
C1A6 C161 C155 114.2(15) . . ?
C163 C161 C155 112.2(5) . . ?
C163 C161 C1B6 102(4) . . ?
C155 C161 C1B6 107(3) . . ?
C1A6 C161 H61D 105.2 . . ?
C163 C161 H61D 105.2 . . ?
C155 C161 H61D 105.2 . . ?
C1A6 C161 H61E 105.2 . . ?
C163 C161 H61E 105.2 . . ?
C155 C161 H61E 105.2 . . ?
H61D C161 H61E 0.0 . . ?
C161 C1A6 H16D 109.5 . . ?
C161 C1A6 H16E 109.5 . . ?
H16D C1A6 H16E 109.5 . . ?
C161 C1A6 H16F 109.5 . . ?
H16D C1A6 H16F 109.5 . . ?
H16E C1A6 H16F 109.5 . . ?
C161 C1B6 H16G 109.5 . . ?
C161 C1B6 H16H 109.5 . . ?
H16G C1B6 H16H 109.5 . . ?
C161 C1B6 H16I 109.5 . . ?
H16G C1B6 H16I 109.5 . . ?
H16H C1B6 H16I 109.5 . . ?
C161 C163 H16J 109.5 . . ?
C161 C163 H16K 109.5 . . ?
H16J C163 H16K 109.5 . . ?
C161 C163 H16L 109.5 . . ?
H16J C163 H16L 109.5 . . ?
H16K C163 H16L 109.5 . . ?
C157 C164 C165 110.8(4) . . ?
C157 C164 C166 112.1(4) . . ?
C165 C164 C166 111.3(4) . . ?
C157 C164 H164 107.4 . . ?
C165 C164 H164 107.4 . . ?
C166 C164 H164 107.4 . . ?
C164 C165 H16M 109.5 . . ?
C164 C165 H16N 109.5 . . ?
H16M C165 H16N 109.5 . . ?
C164 C165 H16O 109.5 . . ?
H16M C165 H16O 109.5 . . ?
H16N C165 H16O 109.5 . . ?
C164 C166 H16P 109.5 . . ?
C164 C166 H16Q 109.5 . . ?
H16P C166 H16Q 109.5 . . ?
C164 C166 H16R 109.5 . . ?
H16P C166 H16R 109.5 . . ?
H16Q C166 H16R 109.5 . . ?
C172 C167 C168 116.6(5) . . ?
C172 C167 Si11 117.6(4) . . ?
C168 C167 Si11 125.8(4) . . ?
C169 C168 C167 120.1(5) . . ?
C169 C168 C173 116.5(5) . . ?
C167 C168 C173 123.4(4) . . ?
C170 C169 C168 123.2(6) . . ?
C170 C169 H169 118.4 . . ?
C168 C169 H169 118.4 . . ?
C171 C170 C169 117.4(6) . . ?
C171 C170 C176 120.3(7) . . ?
C169 C170 C176 122.2(7) . . ?
C170 C171 C172 122.9(6) . . ?
C170 C171 H171 118.6 . . ?
C172 C171 H171 118.6 . . ?
C171 C172 C167 119.6(5) . . ?
C171 C172 C179 116.9(5) . . ?
C167 C172 C179 123.4(5) . . ?
C168 C173 C175 113.8(5) . . ?
C168 C173 C174 112.1(4) . . ?
C175 C173 C174 107.8(4) . . ?
C168 C173 H173 107.6 . . ?
C175 C173 H173 107.6 . . ?
C174 C173 H173 107.6 . . ?
C173 C174 H17C 109.5 . . ?
C173 C174 H17D 109.5 . . ?
H17C C174 H17D 109.5 . . ?
C173 C174 H17E 109.5 . . ?
H17C C174 H17E 109.5 . . ?
H17D C174 H17E 109.5 . . ?
C173 C175 H17F 109.5 . . ?
C173 C175 H17G 109.5 . . ?
H17F C175 H17G 109.5 . . ?
C173 C175 H17H 109.5 . . ?
H17F C175 H17H 109.5 . . ?
H17G C175 H17H 109.5 . . ?
C17B C176 C177 103(2) . . ?
C177 C176 C17A 125.3(9) . . ?
C17B C176 C170 125(2) . . ?
C177 C176 C170 113.3(8) . . ?
C17A C176 C170 111.4(8) . . ?
C177 C176 H76D 100.6 . . ?
C17A C176 H76D 100.6 . . ?
C170 C176 H76D 100.6 . . ?
C17B C176 H76E 104.4 . . ?
C177 C176 H76E 104.4 . . ?
C170 C176 H76E 104.4 . . ?
C176 C177 H17I 109.5 . . ?
C176 C177 H17J 109.5 . . ?
H17I C177 H17J 109.5 . . ?
C176 C177 H17K 109.5 . . ?
H17I C177 H17K 109.5 . . ?
H17J C177 H17K 109.5 . . ?
C176 C17A H17L 109.5 . . ?
C176 C17A H17M 109.5 . . ?
H17L C17A H17M 109.5 . . ?
C176 C17A H17N 109.5 . . ?
H17L C17A H17N 109.5 . . ?
H17M C17A H17N 109.5 . . ?
C176 C17B H17O 109.5 . . ?
C176 C17B H17P 109.5 . . ?
H17O C17B H17P 109.5 . . ?
C176 C17B H17Q 109.5 . . ?
H17O C17B H17Q 109.5 . . ?
H17P C17B H17Q 109.5 . . ?
C172 C179 C180 112.4(5) . . ?
C172 C179 C181 111.1(5) . . ?
C180 C179 C181 110.3(4) . . ?
C172 C179 H179 107.6 . . ?
C180 C179 H179 107.6 . . ?
C181 C179 H179 107.6 . . ?
C179 C180 H18C 109.5 . . ?
C179 C180 H18D 109.5 . . ?
H18C C180 H18D 109.5 . . ?
C179 C180 H18E 109.5 . . ?
H18C C180 H18E 109.5 . . ?
H18D C180 H18E 109.5 . . ?
C179 C181 H18F 109.5 . . ?
C179 C181 H18G 109.5 . . ?
H18F C181 H18G 109.5 . . ?
C179 C181 H18H 109.5 . . ?
H18F C181 H18H 109.5 . . ?
H18G C181 H18H 109.5 . . ?
C187 C182 C183 116.9(4) . . ?
C187 C182 Si11 127.6(3) . . ?
C183 C182 Si11 115.4(3) . . ?
C184 C183 C182 120.9(5) . . ?
C184 C183 C188 116.8(4) . . ?
C182 C183 C188 122.3(4) . . ?
C185 C184 C183 121.6(5) . . ?
C185 C184 H184 119.2 . . ?
C183 C184 H184 119.2 . . ?
C186 C185 C184 117.6(5) . . ?
C186 C185 C191 120.8(5) . . ?
C184 C185 C191 121.6(5) . . ?
C185 C186 C187 123.3(5) . . ?
C185 C186 H186 118.4 . . ?
C187 C186 H186 118.4 . . ?
C186 C187 C182 119.6(4) . . ?
C186 C187 C194 117.0(4) . . ?
C182 C187 C194 123.4(4) . . ?
C183 C188 C190 111.4(4) . . ?
C183 C188 C189 112.3(4) . . ?
C190 C188 C189 111.4(4) . . ?
C183 C188 H188 107.2 . . ?
C190 C188 H188 107.2 . . ?
C189 C188 H188 107.2 . . ?
C188 C189 H18I 109.5 . . ?
C188 C189 H18J 109.5 . . ?
H18I C189 H18J 109.5 . . ?
C188 C189 H18K 109.5 . . ?
H18I C189 H18K 109.5 . . ?
H18J C189 H18K 109.5 . . ?
C188 C190 H19A 109.5 . . ?
C188 C190 H19B 109.5 . . ?
H19A C190 H19B 109.5 . . ?
C188 C190 H19C 109.5 . . ?
H19A C190 H19C 109.5 . . ?
H19B C190 H19C 109.5 . . ?
C193 C191 C19B 100.4(18) . . ?
C193 C191 C19A 123.6(15) . . ?
C193 C191 C185 112.6(5) . . ?
C19B C191 C185 113.5(12) . . ?
C19A C191 C185 106.5(11) . . ?
C193 C191 H91D 104.0 . . ?
C19A C191 H91D 104.0 . . ?
C185 C191 H91D 104.0 . . ?
C193 C191 H91E 110.0 . . ?
C19B C191 H91E 110.0 . . ?
C185 C191 H91E 110.0 . . ?
C191 C19A H19D 109.5 . . ?
C191 C19A H19E 109.5 . . ?
H19D C19A H19E 109.5 . . ?
C191 C19A H19F 109.5 . . ?
H19D C19A H19F 109.5 . . ?
H19E C19A H19F 109.5 . . ?
C191 C19B H19G 109.5 . . ?
C191 C19B H19H 109.5 . . ?
H19G C19B H19H 109.5 . . ?
C191 C19B H19I 109.5 . . ?
H19G C19B H19I 109.5 . . ?
H19H C19B H19I 109.5 . . ?
C191 C193 H19J 109.5 . . ?
C191 C193 H19K 109.5 . . ?
H19J C193 H19K 109.5 . . ?
C191 C193 H19L 109.5 . . ?
H19J C193 H19L 109.5 . . ?
H19K C193 H19L 109.5 . . ?
C187 C194 C196 110.8(4) . . ?
C187 C194 C195 113.3(4) . . ?
C196 C194 C195 109.4(4) . . ?
C187 C194 H194 107.7 . . ?
C196 C194 H194 107.7 . . ?
C195 C194 H194 107.7 . . ?
C194 C195 H19M 109.5 . . ?
C194 C195 H19N 109.5 . . ?
H19M C195 H19N 109.5 . . ?
C194 C195 H19O 109.5 . . ?
H19M C195 H19O 109.5 . . ?
H19N C195 H19O 109.5 . . ?
C194 C196 H19P 109.5 . . ?
C194 C196 H19Q 109.5 . . ?
H19P C196 H19Q 109.5 . . ?
C194 C196 H19R 109.5 . . ?
H19P C196 H19R 109.5 . . ?
H19Q C196 H19R 109.5 . . ?
C02_1 C01_1 H01A_1 109.5 . . ?
C02_1 C01_1 H01B_1 109.5 . . ?
H01A_1 C01_1 H01B_1 109.5 . . ?
C02_1 C01_1 H01C_1 109.5 . . ?
H01A_1 C01_1 H01C_1 109.5 . . ?
H01B_1 C01_1 H01C_1 109.5 . . ?
C03_1 C02_1 C01_1 120.0(13) . . ?
C03_1 C02_1 H02A_1 107.3 . . ?
C01_1 C02_1 H02A_1 107.3 . . ?
C03_1 C02_1 H02B_1 107.3 . . ?
C01_1 C02_1 H02B_1 107.3 . . ?
H02A_1 C02_1 H02B_1 106.9 . . ?
C02_1 C03_1 C04_1 114.7(12) . . ?
C02_1 C03_1 H03A_1 108.6 . . ?
C04_1 C03_1 H03A_1 108.6 . . ?
C02_1 C03_1 H03B_1 108.6 . . ?
C04_1 C03_1 H03B_1 108.6 . . ?
H03A_1 C03_1 H03B_1 107.6 . . ?
C05_1 C04_1 C03_1 122.4(11) . . ?
C05_1 C04_1 H04A_1 106.7 . . ?
C03_1 C04_1 H04A_1 106.7 . . ?
C05_1 C04_1 H04B_1 106.7 . . ?
C03_1 C04_1 H04B_1 106.7 . . ?
H04A_1 C04_1 H04B_1 106.6 . . ?
C04_1 C05_1 C06_1 117.6(12) . . ?
C04_1 C05_1 H05A_1 107.9 . . ?
C06_1 C05_1 H05A_1 107.9 . . ?
C04_1 C05_1 H05B_1 107.9 . . ?
C06_1 C05_1 H05B_1 107.9 . . ?
H05A_1 C05_1 H05B_1 107.2 . . ?
C05_1 C06_1 H06A_1 109.5 . . ?
C05_1 C06_1 H06B_1 109.5 . . ?
H06A_1 C06_1 H06B_1 109.5 . . ?
C05_1 C06_1 H61C_1 109.5 . . ?
H06A_1 C06_1 H61C_1 109.5 . . ?
H06B_1 C06_1 H61C_1 109.5 . . ?
C02_2 C01_2 H01A_2 109.5 . . ?
C02_2 C01_2 H01B_2 109.5 . . ?
H01A_2 C01_2 H01B_2 109.5 . . ?
C02_2 C01_2 H01C_2 109.5 . . ?
H01A_2 C01_2 H01C_2 109.5 . . ?
H01B_2 C01_2 H01C_2 109.5 . . ?
C01_2 C02_2 C03_2 113.7(14) . . ?
C01_2 C02_2 H02A_2 108.8 . . ?
C03_2 C02_2 H02A_2 108.8 . . ?
C01_2 C02_2 H02B_2 108.8 . . ?
C03_2 C02_2 H02B_2 108.8 . . ?
H02A_2 C02_2 H02B_2 107.7 . . ?
C04_2 C03_2 C02_2 122.2(16) . . ?
C04_2 C03_2 H03A_2 106.8 . . ?
C02_2 C03_2 H03A_2 106.8 . . ?
C04_2 C03_2 H03B_2 106.8 . . ?
C02_2 C03_2 H03B_2 106.8 . . ?
H03A_2 C03_2 H03B_2 106.6 . . ?
C03_2 C04_2 C05_2 122.6(15) . . ?
C03_2 C04_2 H04A_2 106.7 . . ?
C05_2 C04_2 H04A_2 106.7 . . ?
C03_2 C04_2 H04B_2 106.7 . . ?
C05_2 C04_2 H04B_2 106.7 . . ?
H04A_2 C04_2 H04B_2 106.6 . . ?
C04_2 C05_2 C06_2 103.1(12) . . ?
C04_2 C05_2 H05A_2 111.1 . . ?
C06_2 C05_2 H05A_2 111.1 . . ?
C04_2 C05_2 H05B_2 111.1 . . ?
C06_2 C05_2 H05B_2 111.1 . . ?
H05A_2 C05_2 H05B_2 109.1 . . ?
C05_2 C06_2 H06A_2 109.5 . . ?
C05_2 C06_2 H06B_2 109.5 . . ?
H06A_2 C06_2 H06B_2 109.5 . . ?
C05_2 C06_2 H06C_2 109.5 . . ?
H06A_2 C06_2 H06C_2 109.5 . . ?
H06B_2 C06_2 H06C_2 109.5 . . ?
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
Rh1 C19 2.183(5) . ?
Rh1 C20 2.185(5) . ?
Rh1 C16 2.193(5) . ?
Rh1 C23 2.240(5) . ?
Rh1 Si3 2.3408(12) . ?
Rh1 Ge1 2.3940(6) . ?
Ge1 N1 1.999(4) . ?
Ge1 N2 2.020(4) . ?
Ge1 C1 2.462(4) . ?
Ge1 Si4 2.4685(13) . ?
Ge1 Si3 2.8379(13) . ?
Si1 Si3 2.2864(18) . ?
Si1 Si4 2.3093(17) . ?
Si1 Si2 2.3723(18) . ?
Si1 Si6 2.3896(17) . ?
Si2 C54 1.912(4) . ?
Si2 C39 1.914(5) . ?
Si2 Cl1 2.0970(18) . ?
Si3 Si6 2.3353(17) . ?
Si3 Si4 2.5881(17) . ?
Si4 Si5 2.3889(17) . ?
Si5 C84 1.930(4) . ?
Si5 C69 1.936(5) . ?
Si5 Si6 2.3620(16) . ?
Si6 C24 1.919(4) . ?
N1 C1 1.314(6) . ?
N1 C2 1.480(7) . ?
N2 C1 1.336(6) . ?
N2 C12 1.489(6) . ?
C1 C6 1.495(6) . ?
C2 C5A 1.517(7) . ?
C2 C3 1.522(6) . ?
C2 C4B 1.526(8) . ?
C2 C4A 1.542(7) . ?
C2 C5B 1.542(8) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4A H4AA 0.9800 . ?
C4A H4AB 0.9800 . ?
C4A H4AC 0.9800 . ?
C5A H5AA 0.9800 . ?
C5A H5AB 0.9800 . ?
C5A H5AC 0.9800 . ?
C4B H4BA 0.9800 . ?
C4B H4BB 0.9800 . ?
C4B H4BC 0.9800 . ?
C5B H5BA 0.9800 . ?
C5B H5BB 0.9800 . ?
C5B H5BC 0.9800 . ?
C6 C7 1.369(7) . ?
C6 C11 1.383(7) . ?
C7 C8 1.386(7) . ?
C7 H7 0.9500 . ?
C8 C9 1.368(10) . ?
C8 H8 0.9500 . ?
C9 C10 1.361(10) . ?
C9 H9 0.9500 . ?
C10 C11 1.398(8) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 C14 1.528(7) . ?
C12 C13 1.529(7) . ?
C12 C15 1.529(7) . ?
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 C23 1.361(7) . ?
C16 C17 1.513(8) . ?
C16 H16 1.0000 . ?
C17 C18 1.531(8) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.506(8) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.375(7) . ?
C19 H19 1.0000 . ?
C20 C21 1.490(7) . ?
C20 H20 1.0000 . ?
C21 C22 1.508(8) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.522(7) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23 1.0000 . ?
C24 C25 1.404(6) . ?
C24 C29 1.425(6) . ?
C25 C26 1.402(6) . ?
C25 C30 1.524(7) . ?
C26 C27 1.365(7) . ?
C26 H26 0.9500 . ?
C27 C28 1.388(7) . ?
C27 C33 1.524(7) . ?
C28 C29 1.400(6) . ?
C28 H28 0.9500 . ?
C29 C36 1.517(6) . ?
C30 C32 1.523(7) . ?
C30 C31 1.526(7) . ?
C30 H30 1.0000 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.468(9) . ?
C33 C35A 1.488(11) . ?
C33 C35B 1.502(9) . ?
C33 H33A 1.0000 . ?
C33 H33B 1.0000 . ?
C34 C35A 1.78(4) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35A H35A 0.9800 . ?
C35A H35B 0.9800 . ?
C35A H35C 0.9800 . ?
C35B H35D 0.9800 . ?
C35B H35E 0.9800 . ?
C35B H35F 0.9800 . ?
C36 C37 1.512(7) . ?
C36 C38 1.515(7) . ?
C36 H36 1.0000 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 C44 1.405(6) . ?
C39 C40 1.427(6) . ?
C40 C41 1.386(6) . ?
C40 C45 1.527(6) . ?
C41 C42 1.368(7) . ?
C41 H41 0.9500 . ?
C42 C43 1.385(7) . ?
C42 C48 1.520(7) . ?
C43 C44 1.392(6) . ?
C43 H43 0.9500 . ?
C44 C51 1.527(6) . ?
C45 C47 1.523(7) . ?
C45 C46 1.538(7) . ?
C45 H45 1.0000 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 C50 1.502(8) . ?
C48 C49 1.510(9) . ?
C48 H48 1.0000 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 C52 1.521(7) . ?
C51 C53 1.532(7) . ?
C51 H51 1.0000 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 C55 1.413(7) . ?
C54 C59 1.425(6) . ?
C55 C56 1.408(7) . ?
C55 C60 1.518(7) . ?
C56 C57 1.381(8) . ?
C56 H56 0.9500 . ?
C57 C58 1.371(8) . ?
C57 C63A 1.52(3) . ?
C57 C63B 1.536(19) . ?
C58 C59 1.405(7) . ?
C58 H58 0.9500 . ?
C59 C66 1.516(7) . ?
C60 C62 1.533(7) . ?
C60 C61 1.533(7) . ?
C60 H60 1.0000 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63A C64A 1.508(17) . ?
C63A C65A 1.511(18) . ?
C63A H63A 1.0000 . ?
C64A H64A 0.9800 . ?
C64A H64B 0.9800 . ?
C64A H64C 0.9800 . ?
C65A H65A 0.9800 . ?
C65A H65B 0.9800 . ?
C65A H65C 0.9800 . ?
C63B C64B 1.508(16) . ?
C63B C65B 1.62(2) . ?
C63B H63B 1.0000 . ?
C64B H64D 0.9800 . ?
C64B H64E 0.9800 . ?
C64B H64F 0.9800 . ?
C65B H65D 0.9800 . ?
C65B H65E 0.9800 . ?
C65B H65F 0.9800 . ?
C66 C67 1.529(7) . ?
C66 C68 1.545(8) . ?
C66 H66 1.0000 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 C70 1.411(6) . ?
C69 C74 1.416(6) . ?
C70 C71 1.385(7) . ?
C70 C75 1.526(7) . ?
C71 C72 1.383(8) . ?
C71 H71 0.9500 . ?
C72 C73 1.363(8) . ?
C72 C78 1.539(8) . ?
C73 C74 1.386(7) . ?
C73 H73 0.9500 . ?
C74 C81 1.522(7) . ?
C75 C77 1.512(7) . ?
C75 C76 1.519(7) . ?
C75 H75 1.0000 . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
C78 C80 1.466(11) . ?
C78 C79 1.518(11) . ?
C78 H78 1.0000 . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C81 C82 1.520(7) . ?
C81 C83 1.523(7) . ?
C81 H81 1.0000 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C84 C89 1.407(6) . ?
C84 C85 1.420(6) . ?
C85 C86 1.384(6) . ?
C85 C90 1.523(6) . ?
C86 C87 1.377(7) . ?
C86 H86 0.9500 . ?
C87 C88 1.377(6) . ?
C87 C96 1.536(7) . ?
C88 C89 1.394(6) . ?
C88 H88 0.9500 . ?
C89 C93 1.527(6) . ?
C90 C91 1.517(6) . ?
C90 C92 1.525(6) . ?
C90 H90 1.0000 . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C93 C95 1.527(6) . ?
C93 C94 1.541(6) . ?
C93 H93 1.0000 . ?
C94 H94A 0.9800 . ?
C94 H94B 0.9800 . ?
C94 H94C 0.9800 . ?
C95 H95A 0.9800 . ?
C95 H95B 0.9800 . ?
C95 H95C 0.9800 . ?
C96 C97B 1.509(10) . ?
C96 C98 1.513(7) . ?
C96 C97A 1.534(8) . ?
C96 H96A 1.0000 . ?
C96 H96B 1.0000 . ?
C97A H97A 0.9800 . ?
C97A H97B 0.9800 . ?
C97A H97C 0.9800 . ?
C97B H97D 0.9800 . ?
C97B H97E 0.9800 . ?
C97B H97F 0.9800 . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
Rh2 C121 2.171(5) . ?
Rh2 C117 2.177(5) . ?
Rh2 C114 2.199(5) . ?
Rh2 C118 2.234(5) . ?
Rh2 Si9 2.3282(13) . ?
Rh2 Ge2 2.3965(6) . ?
Ge2 N3 1.995(4) . ?
Ge2 N4 2.020(4) . ?
Ge2 C99 2.450(4) . ?
Ge2 Si10 2.4657(13) . ?
Ge2 Si9 2.8113(12) . ?
Si7 Si9 2.2870(18) . ?
Si7 Si10 2.3152(17) . ?
Si7 Si8 2.3609(18) . ?
Si7 Si12 2.3692(17) . ?
Si8 C137 1.909(4) . ?
Si8 C152 1.921(4) . ?
Si8 Cl2 2.0978(18) . ?
Si9 Si12 2.3306(17) . ?
Si9 Si10 2.5852(17) . ?
Si10 Si11 2.3985(18) . ?
Si11 C167 1.922(5) . ?
Si11 C182 1.930(5) . ?
Si11 Si12 2.3527(17) . ?
Si12 C122 1.908(4) . ?
N3 C99 1.312(6) . ?
N3 C100 1.475(6) . ?
N4 C99 1.339(6) . ?
N4 C110 1.489(6) . ?
C99 C104 1.501(6) . ?
C100 C1A3 1.470(16) . ?
C100 C1B1 1.509(9) . ?
C100 C102 1.511(6) . ?
C100 C1A1 1.528(8) . ?
C100 C1B3 1.671(19) . ?
C1A1 H1AA 0.9800 . ?
C1A1 H1AB 0.9800 . ?
C1A1 H1AC 0.9800 . ?
C1B1 H1BA 0.9800 . ?
C1B1 H1BB 0.9800 . ?
C1B1 H1BC 0.9800 . ?
C102 H10A 0.9800 . ?
C102 H10B 0.9800 . ?
C102 H10C 0.9800 . ?
C1A3 H1AD 0.9800 . ?
C1A3 H1AE 0.9800 . ?
C1A3 H1AF 0.9800 . ?
C1B3 H1BD 0.9800 . ?
C1B3 H1BE 0.9800 . ?
C1B3 H1BF 0.9800 . ?
C104 C109 1.386(7) . ?
C104 C105 1.386(8) . ?
C105 C106 1.368(8) . ?
C105 H105 0.9500 . ?
C106 C107 1.377(10) . ?
C106 H106 0.9500 . ?
C107 C108 1.363(10) . ?
C107 H107 0.9500 . ?
C108 C109 1.404(8) . ?
C108 H108 0.9500 . ?
C109 H109 0.9500 . ?
C110 C112 1.511(7) . ?
C110 C111 1.517(8) . ?
C110 C113 1.525(7) . ?
C111 H11A 0.9800 . ?
C111 H11B 0.9800 . ?
C111 H11C 0.9800 . ?
C112 H11D 0.9800 . ?
C112 H11E 0.9800 . ?
C112 H11F 0.9800 . ?
C113 H11G 0.9800 . ?
C113 H11H 0.9800 . ?
C113 H11I 0.9800 . ?
C114 C121 1.385(7) . ?
C114 C115 1.516(7) . ?
C114 H114 1.0000 . ?
C115 C116 1.527(8) . ?
C115 H11J 0.9900 . ?
C115 H11K 0.9900 . ?
C116 C117 1.512(8) . ?
C116 H11L 0.9900 . ?
C116 H11M 0.9900 . ?
C117 C118 1.359(8) . ?
C117 H117 1.0000 . ?
C118 C119 1.513(8) . ?
C118 H118 1.0000 . ?
C119 C120 1.532(8) . ?
C119 H11N 0.9900 . ?
C119 H11O 0.9900 . ?
C120 C121 1.490(7) . ?
C120 H12A 0.9900 . ?
C120 H12B 0.9900 . ?
C121 H121 1.0000 . ?
C122 C127 1.407(6) . ?
C122 C123 1.418(6) . ?
C123 C124 1.390(6) . ?
C123 C128 1.517(6) . ?
C124 C125 1.377(6) . ?
C124 H124 0.9500 . ?
C125 C126 1.373(7) . ?
C125 C131 1.517(6) . ?
C126 C127 1.388(6) . ?
C126 H126 0.9500 . ?
C127 C134 1.539(6) . ?
C128 C130 1.518(7) . ?
C128 C129 1.540(6) . ?
C128 H128 1.0000 . ?
C129 H12C 0.9800 . ?
C129 H12D 0.9800 . ?
C129 H12E 0.9800 . ?
C130 H13D 0.9800 . ?
C130 H13E 0.9800 . ?
C130 H13F 0.9800 . ?
C131 C133 1.492(7) . ?
C131 C13A 1.494(10) . ?
C131 C13B 1.502(8) . ?
C131 H31D 1.0000 . ?
C131 H31E 1.0000 . ?
C13A C133 2.06(5) . ?
C13A H13G 0.9800 . ?
C13A H13H 0.9800 . ?
C13A H13I 0.9800 . ?
C13B H13J 0.9800 . ?
C13B H13K 0.9800 . ?
C13B H13L 0.9800 . ?
C133 H13M 0.9800 . ?
C133 H13N 0.9800 . ?
C133 H13O 0.9800 . ?
C134 C135 1.506(7) . ?
C134 C136 1.529(7) . ?
C134 H134 1.0000 . ?
C135 H13P 0.9800 . ?
C135 H13Q 0.9800 . ?
C135 H13R 0.9800 . ?
C136 H13S 0.9800 . ?
C136 H13T 0.9800 . ?
C136 H13U 0.9800 . ?
C137 C138 1.409(6) . ?
C137 C142 1.421(6) . ?
C138 C139 1.406(6) . ?
C138 C143 1.533(7) . ?
C139 C140 1.377(7) . ?
C139 H139 0.9500 . ?
C140 C141 1.363(7) . ?
C140 C146 1.518(7) . ?
C141 C142 1.389(6) . ?
C141 H141 0.9500 . ?
C142 C149 1.518(6) . ?
C143 C145 1.527(7) . ?
C143 C144 1.550(7) . ?
C143 H143 1.0000 . ?
C144 H14D 0.9800 . ?
C144 H14E 0.9800 . ?
C144 H14F 0.9800 . ?
C145 H14G 0.9800 . ?
C145 H14H 0.9800 . ?
C145 H14I 0.9800 . ?
C146 C14A 1.490(9) . ?
C146 C14D 1.491(8) . ?
C146 C14B 1.516(8) . ?
C146 C14C 1.526(9) . ?
C146 H46D 1.0000 . ?
C146 H46E 1.0000 . ?
C14A H14J 0.9800 . ?
C14A H14K 0.9800 . ?
C14A H14L 0.9800 . ?
C14C H14M 0.9800 . ?
C14C H14N 0.9800 . ?
C14C H14O 0.9800 . ?
C14B H14P 0.9800 . ?
C14B H14Q 0.9800 . ?
C14B H14R 0.9800 . ?
C14D H14S 0.9800 . ?
C14D H14T 0.9800 . ?
C14D H14U 0.9800 . ?
C149 C151 1.539(7) . ?
C149 C150 1.540(7) . ?
C149 H149 1.0000 . ?
C150 H15D 0.9800 . ?
C150 H15E 0.9800 . ?
C150 H15F 0.9800 . ?
C151 H15G 0.9800 . ?
C151 H15H 0.9800 . ?
C151 H15I 0.9800 . ?
C152 C153 1.410(6) . ?
C152 C157 1.418(6) . ?
C153 C154 1.400(6) . ?
C153 C158 1.514(6) . ?
C154 C155 1.366(7) . ?
C154 H154 0.9500 . ?
C155 C156 1.376(7) . ?
C155 C161 1.529(7) . ?
C156 C157 1.395(6) . ?
C156 H156 0.9500 . ?
C157 C164 1.525(6) . ?
C158 C159 1.527(6) . ?
C158 C160 1.531(7) . ?
C158 H158 1.0000 . ?
C159 H15J 0.9800 . ?
C159 H15K 0.9800 . ?
C159 H15L 0.9800 . ?
C160 H16A 0.9800 . ?
C160 H16B 0.9800 . ?
C160 H16C 0.9800 . ?
C161 C1A6 1.478(13) . ?
C161 C163 1.483(8) . ?
C161 C1B6 1.58(6) . ?
C161 H61D 1.0000 . ?
C161 H61E 1.0000 . ?
C1A6 H16D 0.9800 . ?
C1A6 H16E 0.9800 . ?
C1A6 H16F 0.9800 . ?
C1B6 H16G 0.9800 . ?
C1B6 H16H 0.9800 . ?
C1B6 H16I 0.9800 . ?
C163 H16J 0.9800 . ?
C163 H16K 0.9800 . ?
C163 H16L 0.9800 . ?
C164 C165 1.530(6) . ?
C164 C166 1.537(7) . ?
C164 H164 1.0000 . ?
C165 H16M 0.9800 . ?
C165 H16N 0.9800 . ?
C165 H16O 0.9800 . ?
C166 H16P 0.9800 . ?
C166 H16Q 0.9800 . ?
C166 H16R 0.9800 . ?
C167 C172 1.425(7) . ?
C167 C168 1.429(7) . ?
C168 C169 1.378(7) . ?
C168 C173 1.517(7) . ?
C169 C170 1.374(8) . ?
C169 H169 0.9500 . ?
C170 C171 1.366(9) . ?
C170 C176 1.527(9) . ?
C171 C172 1.402(7) . ?
C171 H171 0.9500 . ?
C172 C179 1.508(7) . ?
C173 C175 1.523(7) . ?
C173 C174 1.530(7) . ?
C173 H173 1.0000 . ?
C174 H17C 0.9800 . ?
C174 H17D 0.9800 . ?
C174 H17E 0.9800 . ?
C175 H17F 0.9800 . ?
C175 H17G 0.9800 . ?
C175 H17H 0.9800 . ?
C176 C17B 1.426(11) . ?
C176 C177 1.426(9) . ?
C176 C17A 1.443(9) . ?
C176 H76D 1.0000 . ?
C176 H76E 1.0000 . ?
C177 H17I 0.9800 . ?
C177 H17J 0.9800 . ?
C177 H17K 0.9800 . ?
C17A H17L 0.9800 . ?
C17A H17M 0.9800 . ?
C17A H17N 0.9800 . ?
C17B H17O 0.9800 . ?
C17B H17P 0.9800 . ?
C17B H17Q 0.9800 . ?
C179 C180 1.534(7) . ?
C179 C181 1.543(7) . ?
C179 H179 1.0000 . ?
C180 H18C 0.9800 . ?
C180 H18D 0.9800 . ?
C180 H18E 0.9800 . ?
C181 H18F 0.9800 . ?
C181 H18G 0.9800 . ?
C181 H18H 0.9800 . ?
C182 C187 1.411(6) . ?
C182 C183 1.413(6) . ?
C183 C184 1.398(7) . ?
C183 C188 1.523(7) . ?
C184 C185 1.378(7) . ?
C184 H184 0.9500 . ?
C185 C186 1.363(7) . ?
C185 C191 1.525(7) . ?
C186 C187 1.401(7) . ?
C186 H186 0.9500 . ?
C187 C194 1.526(6) . ?
C188 C190 1.540(7) . ?
C188 C189 1.540(7) . ?
C188 H188 1.0000 . ?
C189 H18I 0.9800 . ?
C189 H18J 0.9800 . ?
C189 H18K 0.9800 . ?
C190 H19A 0.9800 . ?
C190 H19B 0.9800 . ?
C190 H19C 0.9800 . ?
C191 C193 1.510(7) . ?
C191 C19B 1.520(9) . ?
C191 C19A 1.524(9) . ?
C191 H91D 1.0000 . ?
C191 H91E 1.0000 . ?
C19A H19D 0.9800 . ?
C19A H19E 0.9800 . ?
C19A H19F 0.9800 . ?
C19B H19G 0.9800 . ?
C19B H19H 0.9800 . ?
C19B H19I 0.9800 . ?
C193 H19J 0.9800 . ?
C193 H19K 0.9800 . ?
C193 H19L 0.9800 . ?
C194 C196 1.535(7) . ?
C194 C195 1.537(7) . ?
C194 H194 1.0000 . ?
C195 H19M 0.9800 . ?
C195 H19N 0.9800 . ?
C195 H19O 0.9800 . ?
C196 H19P 0.9800 . ?
C196 H19Q 0.9800 . ?
C196 H19R 0.9800 . ?
C01_1 C02_1 1.401(11) . ?
C01_1 H01A_1 0.9800 . ?
C01_1 H01B_1 0.9800 . ?
C01_1 H01C_1 0.9800 . ?
C02_1 C03_1 1.394(11) . ?
C02_1 H02A_1 0.9900 . ?
C02_1 H02B_1 0.9900 . ?
C03_1 C04_1 1.432(10) . ?
C03_1 H03A_1 0.9900 . ?
C03_1 H03B_1 0.9900 . ?
C04_1 C05_1 1.400(10) . ?
C04_1 H04A_1 0.9900 . ?
C04_1 H04B_1 0.9900 . ?
C05_1 C06_1 1.453(11) . ?
C05_1 H05A_1 0.9900 . ?
C05_1 H05B_1 0.9900 . ?
C06_1 H06A_1 0.9800 . ?
C06_1 H06B_1 0.9800 . ?
C06_1 H61C_1 0.9800 . ?
C01_2 C02_2 1.455(12) . ?
C01_2 H01A_2 0.9800 . ?
C01_2 H01B_2 0.9800 . ?
C01_2 H01C_2 0.9800 . ?
C02_2 C03_2 1.468(12) . ?
C02_2 H02A_2 0.9900 . ?
C02_2 H02B_2 0.9900 . ?
C03_2 C04_2 1.365(12) . ?
C03_2 H03A_2 0.9900 . ?
C03_2 H03B_2 0.9900 . ?
C04_2 C05_2 1.476(11) . ?
C04_2 H04A_2 0.9900 . ?
C04_2 H04B_2 0.9900 . ?
C05_2 C06_2 1.503(12) . ?
C05_2 H05A_2 0.9900 . ?
C05_2 H05B_2 0.9900 . ?
C06_2 H06A_2 0.9800 . ?
C06_2 H06B_2 0.9800 . ?
C06_2 H06C_2 0.9800 . ?
