#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:19:12 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179837 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/33/7013347.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_7013347
loop_
_publ_author_name
'Noveski, Daniel'
'Braun, Thomas'
'Schulte, Miriam'
'Neumann, Beate'
'Stammler, Hans-Georg'
_publ_section_title
;
 C?F Activation and hydrodefluorination of fluorinated alkenes at
 rhodiumBased on the presentation given at Dalton Discussion No. 6,
 9?11th September 2003, University of York, UK.
;
_journal_issue                   21
_journal_name_full               'Dalton Transactions'
_journal_page_first              4075
_journal_paper_doi               10.1039/b306635e
_journal_year                    2003
_chemical_formula_moiety         'C36 H62 P3 Rh Si'
_chemical_formula_sum            'C36 H62 P3 Rh Si'
_chemical_formula_weight         718.77
_chemical_name_systematic        ?
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90
_cell_angle_beta                 96.928(11)
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   28.465(3)
_cell_length_b                   17.3500(14)
_cell_length_c                   22.700(3)
_cell_measurement_reflns_used    33628
_cell_measurement_temperature    104(2)
_cell_measurement_theta_max      30.034
_cell_measurement_theta_min      2.910
_cell_volume                     11129(2)
_computing_cell_refinement
'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_collection       'KappaCCD '
_computing_data_reduction
'EVALCCD (Duisenberg, 1998, Thesis. Utrecht Un'
_computing_molecular_graphics    'SHELXTL-PLUS (1990)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      104(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0842
_diffrn_reflns_av_sigmaI/netI    0.0613
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            223527
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         2.14
_exptl_absorpt_coefficient_mu    0.645
_exptl_absorpt_correction_T_max  0.904
_exptl_absorpt_correction_T_min  0.762
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements
Sortav (Blessing 1995)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.287
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             4584
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.245
_refine_diff_density_min         -1.079
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1154
_refine_ls_number_reflns         32417
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.1171
_refine_ls_R_factor_gt           0.0481
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0197P)²+31.2335P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0813
_refine_ls_wR_factor_ref         0.1139
_reflns_number_gt                18916
_reflns_number_total             32417
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b306635e.txt
_cod_data_source_block           compound9
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7013347
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.389301(9) 0.268972(15) 0.478748(11) 0.01707(6) Uani 1 1 d . B .
H1A H 0.4409(13) 0.267(2) 0.5050(16) 0.028(10) Uiso 1 1 d . . .
H1B H 0.3866(16) 0.348(3) 0.507(2) 0.058(14) Uiso 1 1 d . . .
Rh2 Rh 0.281183(8) 0.774081(14) 0.689932(10) 0.01387(6) Uani 1 1 d . . .
H2A H 0.2305(12) 0.783(2) 0.6679(15) 0.020(9) Uiso 1 1 d . . .
H2B H 0.2874(14) 0.850(2) 0.6630(18) 0.046(12) Uiso 1 1 d . . .
Rh3 Rh 0.057852(8) 0.232961(14) 0.651791(10) 0.01210(5) Uani 1 1 d . . .
H3A H 0.1102(11) 0.2289(18) 0.6788(14) 0.013(8) Uiso 1 1 d . . .
H3B H 0.0551(14) 0.156(2) 0.6788(18) 0.042(12) Uiso 1 1 d . . .
Si1 Si 0.39917(3) 0.25038(5) 0.58236(4) 0.01676(19) Uani 1 1 d . . .
Si2 Si 0.26528(3) 0.75885(5) 0.58636(4) 0.01551(18) Uani 1 1 d . . .
Si3 Si 0.06413(3) 0.25628(5) 0.75539(4) 0.01366(17) Uani 1 1 d . . .
P1 P 0.30669(3) 0.28649(5) 0.45930(4) 0.0231(2) Uani 1 1 d . . .
P2 P 0.42099(4) 0.34331(6) 0.40577(5) 0.0333(2) Uani 1 1 d . . .
P3 P 0.40049(3) 0.14088(5) 0.44821(4) 0.01971(18) Uani 1 1 d . . .
P4 P 0.36475(3) 0.77463(5) 0.70219(4) 0.01851(18) Uani 1 1 d . . .
P5 P 0.26134(3) 0.85178(5) 0.76971(4) 0.01796(18) Uani 1 1 d . . .
P6 P 0.25991(3) 0.64828(5) 0.71766(4) 0.01719(17) Uani 1 1 d . . .
P7 P -0.02522(3) 0.22380(5) 0.63286(4) 0.01494(16) Uani 1 1 d . . .
P8 P 0.08513(3) 0.15280(5) 0.57880(4) 0.01673(17) Uani 1 1 d . . .
P9 P 0.07397(3) 0.35934(5) 0.62005(4) 0.01565(17) Uani 1 1 d . . .
C1 C 0.34433(12) 0.2301(2) 0.62177(14) 0.0210(7) Uani 1 1 d . . .
C2 C 0.31859(12) 0.1621(2) 0.61391(15) 0.0226(7) Uani 1 1 d . . .
H2 H 0.3286 0.1235 0.5885 0.027 Uiso 1 1 calc R . .
C3 C 0.27856(13) 0.1487(2) 0.64203(16) 0.0271(8) Uani 1 1 d . . .
H3 H 0.2619 0.1014 0.6357 0.033 Uiso 1 1 calc R . .
C4 C 0.26297(13) 0.2034(2) 0.67895(17) 0.0308(9) Uani 1 1 d . . .
H4 H 0.2359 0.1940 0.6986 0.037 Uiso 1 1 calc R . .
C5 C 0.28704(14) 0.2718(2) 0.68698(18) 0.0342(9) Uani 1 1 d . . .
H5 H 0.2762 0.3106 0.7116 0.041 Uiso 1 1 calc R . .
C6 C 0.32729(14) 0.2847(2) 0.65926(17) 0.0313(9) Uani 1 1 d . . .
H6 H 0.3437 0.3322 0.6660 0.038 Uiso 1 1 calc R . .
C7 C 0.42527(12) 0.3362(2) 0.62871(16) 0.0238(8) Uani 1 1 d . . .
C8 C 0.41686(19) 0.4123(2) 0.61314(19) 0.0520(14) Uani 1 1 d . . .
H8 H 0.4004 0.4236 0.5752 0.062 Uiso 1 1 calc R . .
C9 C 0.4315(3) 0.4731(3) 0.6509(2) 0.077(2) Uani 1 1 d . . .
H9 H 0.4248 0.5248 0.6387 0.093 Uiso 1 1 calc R . .
C10 C 0.4558(2) 0.4582(3) 0.7061(2) 0.0561(14) Uani 1 1 d . . .
H10 H 0.4662 0.4993 0.7321 0.067 Uiso 1 1 calc R . .
C11 C 0.46469(15) 0.3835(2) 0.72285(18) 0.0366(10) Uani 1 1 d . . .
H11 H 0.4810 0.3727 0.7609 0.044 Uiso 1 1 calc R . .
C12 C 0.45019(13) 0.3239(2) 0.68520(16) 0.0259(8) Uani 1 1 d . . .
H12 H 0.4573 0.2725 0.6978 0.031 Uiso 1 1 calc R . .
C13 C 0.44334(12) 0.1713(2) 0.61108(14) 0.0197(7) Uani 1 1 d . . .
C14 C 0.49082(12) 0.1803(2) 0.60123(16) 0.0250(8) Uani 1 1 d . . .
H14 H 0.4997 0.2249 0.5810 0.030 Uiso 1 1 calc R . .
C15 C 0.52505(13) 0.1262(2) 0.62002(16) 0.0301(9) Uani 1 1 d . . .
H15 H 0.5569 0.1342 0.6128 0.036 Uiso 1 1 calc R . .
C16 C 0.51305(14) 0.0605(2) 0.64922(17) 0.0322(9) Uani 1 1 d . . .
H16 H 0.5363 0.0226 0.6613 0.039 Uiso 1 1 calc R . .
C17 C 0.46700(14) 0.0505(2) 0.66061(18) 0.0342(9) Uani 1 1 d . . .
H17 H 0.4585 0.0060 0.6813 0.041 Uiso 1 1 calc R . .
C18 C 0.43280(13) 0.1057(2) 0.64178(17) 0.0271(8) Uani 1 1 d . . .
H18 H 0.4013 0.0980 0.6503 0.033 Uiso 1 1 calc R . .
C19 C 0.28278(16) 0.3545(3) 0.5089(2) 0.0567(15) Uani 1 1 d . A .
H19A H 0.2478 0.3523 0.5031 0.068 Uiso 0.716(10) 1 calc PR A 1
H19B H 0.2937 0.3407 0.5507 0.068 Uiso 0.716(10) 1 calc PR A 1
H19C H 0.2534 0.3714 0.4846 0.068 Uiso 0.284(10) 1 calc PR A 2
H19D H 0.2719 0.3195 0.5390 0.068 Uiso 0.284(10) 1 calc PR A 2
C20 C 0.3004(2) 0.4411(3) 0.4953(3) 0.0332(16) Uiso 0.716(10) 1 d P A 1
H20A H 0.2875 0.4777 0.5220 0.050 Uiso 0.716(10) 1 calc PR A 1
H20B H 0.2893 0.4547 0.4541 0.050 Uiso 0.716(10) 1 calc PR A 1
H20C H 0.3351 0.4431 0.5015 0.050 Uiso 0.716(10) 1 calc PR A 1
C20B C 0.2948(6) 0.4192(9) 0.5422(7) 0.041(5) Uiso 0.284(10) 1 d P A 2
H20D H 0.2679 0.4352 0.5624 0.062 Uiso 0.284(10) 1 calc PR A 2
H20E H 0.3031 0.4608 0.5161 0.062 Uiso 0.284(10) 1 calc PR A 2
H20F H 0.3219 0.4078 0.5717 0.062 Uiso 0.284(10) 1 calc PR A 2
C21 C 0.26869(12) 0.2015(2) 0.46433(17) 0.0251(8) Uani 1 1 d . B .
H21A H 0.2670 0.1738 0.4260 0.030 Uiso 1 1 calc R . .
H21B H 0.2850 0.1669 0.4949 0.030 Uiso 1 1 calc R . .
C22 C 0.21832(17) 0.2121(3) 0.4785(3) 0.0685(18) Uani 1 1 d . . .
H22A H 0.2188 0.2366 0.5175 0.103 Uiso 1 1 calc R B .
H22B H 0.2028 0.1617 0.4791 0.103 Uiso 1 1 calc R . .
H22C H 0.2008 0.2448 0.4482 0.103 Uiso 1 1 calc R . .
C23 C 0.28574(17) 0.3212(3) 0.3825(2) 0.0253(12) Uiso 0.759(8) 1 d P B 1
H23A H 0.3043 0.3676 0.3750 0.030 Uiso 0.759(8) 1 calc PR B 1
H23B H 0.2935 0.2810 0.3543 0.030 Uiso 0.759(8) 1 calc PR B 1
C24 C 0.23377(18) 0.3410(3) 0.3677(2) 0.0342(14) Uiso 0.759(8) 1 d P B 1
H24A H 0.2278 0.3583 0.3264 0.051 Uiso 0.759(8) 1 calc PR B 1
H24B H 0.2254 0.3823 0.3941 0.051 Uiso 0.759(8) 1 calc PR B 1
H24C H 0.2145 0.2953 0.3732 0.051 Uiso 0.759(8) 1 calc PR B 1
C23B C 0.2732(5) 0.3507(8) 0.4049(6) 0.019(3) Uiso 0.241(8) 1 d P B 2
H23C H 0.2407 0.3573 0.4155 0.022 Uiso 0.241(8) 1 calc PR B 2
H23D H 0.2886 0.4020 0.4064 0.022 Uiso 0.241(8) 1 calc PR B 2
C24B C 0.2707(5) 0.3189(9) 0.3427(7) 0.027(4) Uiso 0.241(8) 1 d P B 2
H24D H 0.2528 0.3545 0.3149 0.040 Uiso 0.241(8) 1 calc PR B 2
H24E H 0.2550 0.2686 0.3409 0.040 Uiso 0.241(8) 1 calc PR B 2
H24F H 0.3028 0.3131 0.3318 0.040 Uiso 0.241(8) 1 calc PR B 2
C25 C 0.3947(2) 0.4387(3) 0.3902(3) 0.0666(17) Uani 1 1 d . B .
H25A H 0.3627 0.4316 0.3683 0.080 Uiso 0.766(8) 1 calc PR C 1
H25B H 0.3907 0.4637 0.4285 0.080 Uiso 0.766(8) 1 calc PR C 1
H25C H 0.4188 0.4669 0.3708 0.080 Uiso 0.234(8) 1 calc PR C 2
H25D H 0.3683 0.4289 0.3585 0.080 Uiso 0.234(8) 1 calc PR C 2
C26 C 0.4229(2) 0.4937(4) 0.3542(3) 0.057(2) Uiso 0.766(8) 1 d P B 1
H26A H 0.4060 0.5429 0.3483 0.085 Uiso 0.766(8) 1 calc PR C 1
H26B H 0.4263 0.4705 0.3156 0.085 Uiso 0.766(8) 1 calc PR C 1
H26C H 0.4543 0.5027 0.3759 0.085 Uiso 0.766(8) 1 calc PR C 1
C26B C 0.3760(5) 0.4960(8) 0.4274(6) 0.018(4) Uiso 0.234(8) 1 d P B 2
H26D H 0.3648 0.5405 0.4031 0.027 Uiso 0.234(8) 1 calc PR C 2
H26E H 0.4010 0.5125 0.4583 0.027 Uiso 0.234(8) 1 calc PR C 2
H26F H 0.3497 0.4739 0.4459 0.027 Uiso 0.234(8) 1 calc PR C 2
C27 C 0.43028(15) 0.3113(3) 0.33074(18) 0.0403(11) Uani 1 1 d . B .
H27A H 0.4504 0.3496 0.3134 0.048 Uiso 1 1 calc R . .
H27B H 0.4477 0.2618 0.3340 0.048 Uiso 1 1 calc R . .
C28 C 0.38557(16) 0.3008(3) 0.2892(2) 0.0501(12) Uani 1 1 d . . .
H28A H 0.3644 0.2653 0.3069 0.075 Uiso 1 1 calc R B .
H28B H 0.3932 0.2794 0.2515 0.075 Uiso 1 1 calc R . .
H28C H 0.3698 0.3507 0.2819 0.075 Uiso 1 1 calc R . .
C29 C 0.48309(17) 0.3714(3) 0.4325(2) 0.0526(13) Uani 1 1 d . B .
H29A H 0.5029 0.3245 0.4331 0.063 Uiso 0.780(8) 1 calc PR D 1
H29B H 0.4941 0.4069 0.4028 0.063 Uiso 0.780(8) 1 calc PR D 1
H29C H 0.4871 0.3793 0.4760 0.063 Uiso 0.220(8) 1 calc PR D 2
H29D H 0.5054 0.3309 0.4228 0.063 Uiso 0.220(8) 1 calc PR D 2
C30 C 0.4925(3) 0.4086(4) 0.4912(3) 0.061(2) Uiso 0.780(8) 1 d P B 1
H30A H 0.5263 0.4203 0.4996 0.092 Uiso 0.780(8) 1 calc PR D 1
H30B H 0.4831 0.3738 0.5217 0.092 Uiso 0.780(8) 1 calc PR D 1
H30C H 0.4742 0.4565 0.4912 0.092 Uiso 0.780(8) 1 calc PR D 1
C30B C 0.4928(6) 0.4517(10) 0.3983(8) 0.032(5) Uiso 0.220(8) 1 d P B 2
H30D H 0.5252 0.4692 0.4108 0.048 Uiso 0.220(8) 1 calc PR D 2
H30E H 0.4704 0.4911 0.4082 0.048 Uiso 0.220(8) 1 calc PR D 2
H30F H 0.4886 0.4430 0.3553 0.048 Uiso 0.220(8) 1 calc PR D 2
C31 C 0.38771(13) 0.1136(2) 0.36940(15) 0.0277(8) Uani 1 1 d . B .
H31A H 0.4050 0.1493 0.3456 0.033 Uiso 1 1 calc R . .
H31B H 0.4004 0.0612 0.3644 0.033 Uiso 1 1 calc R . .
C32 C 0.33578(14) 0.1142(2) 0.34426(18) 0.0348(10) Uani 1 1 d . . .
H32A H 0.3188 0.0749 0.3643 0.052 Uiso 1 1 calc R B .
H32B H 0.3328 0.1031 0.3016 0.052 Uiso 1 1 calc R . .
H32C H 0.3222 0.1650 0.3506 0.052 Uiso 1 1 calc R . .
C33 C 0.46110(12) 0.1025(2) 0.46304(16) 0.0272(8) Uani 1 1 d . B .
H33A H 0.4695 0.0986 0.5065 0.033 Uiso 1 1 calc R . .
H33B H 0.4614 0.0496 0.4467 0.033 Uiso 1 1 calc R . .
C34 C 0.49895(14) 0.1491(3) 0.4379(2) 0.0449(12) Uani 1 1 d . . .
H34A H 0.4911 0.1537 0.3948 0.067 Uiso 1 1 calc R B .
H34B H 0.5296 0.1231 0.4467 0.067 Uiso 1 1 calc R . .
H34C H 0.5007 0.2005 0.4558 0.067 Uiso 1 1 calc R . .
C35 C 0.36880(13) 0.0649(2) 0.48391(16) 0.0249(8) Uani 1 1 d . B .
H35A H 0.3767 0.0705 0.5274 0.030 Uiso 1 1 calc R . .
H35B H 0.3345 0.0749 0.4747 0.030 Uiso 1 1 calc R . .
C36 C 0.37768(17) -0.0190(2) 0.46798(17) 0.0374(10) Uani 1 1 d . . .
H36A H 0.3729 -0.0252 0.4248 0.056 Uiso 1 1 calc R B .
H36B H 0.3556 -0.0525 0.4859 0.056 Uiso 1 1 calc R . .
H36C H 0.4103 -0.0332 0.4830 0.056 Uiso 1 1 calc R . .
C37 C 0.24280(12) 0.8498(2) 0.54319(14) 0.0191(7) Uani 1 1 d . . .
C38 C 0.22683(12) 0.8433(2) 0.48247(15) 0.0237(8) Uani 1 1 d . . .
H38 H 0.2237 0.7935 0.4651 0.028 Uiso 1 1 calc R . .
C39 C 0.21540(13) 0.9076(2) 0.44697(15) 0.0262(8) Uani 1 1 d . . .
H39 H 0.2052 0.9013 0.4058 0.031 Uiso 1 1 calc R . .
C40 C 0.21886(13) 0.9800(2) 0.47129(16) 0.0272(8) Uani 1 1 d . . .
H40 H 0.2110 1.0240 0.4471 0.033 Uiso 1 1 calc R . .
C41 C 0.23378(14) 0.9886(2) 0.53101(16) 0.0280(8) Uani 1 1 d . . .
H41 H 0.2362 1.0387 0.5480 0.034 Uiso 1 1 calc R . .
C42 C 0.24536(12) 0.9244(2) 0.56649(15) 0.0225(7) Uani 1 1 d . . .
H42 H 0.2553 0.9314 0.6076 0.027 Uiso 1 1 calc R . .
C43 C 0.31656(11) 0.7291(2) 0.54332(13) 0.0198(7) Uani 1 1 d . . .
C44 C 0.34082(12) 0.6598(2) 0.55467(15) 0.0228(7) Uani 1 1 d . . .
H44 H 0.3302 0.6250 0.5826 0.027 Uiso 1 1 calc R . .
C45 C 0.37985(14) 0.6396(3) 0.52685(17) 0.0330(9) Uani 1 1 d . . .
H45 H 0.3951 0.5913 0.5351 0.040 Uiso 1 1 calc R . .
C46 C 0.39648(14) 0.6904(3) 0.48690(17) 0.0357(10) Uani 1 1 d . . .
H46 H 0.4236 0.6778 0.4683 0.043 Uiso 1 1 calc R . .
C47 C 0.37341(14) 0.7590(3) 0.47451(16) 0.0334(9) Uani 1 1 d . . .
H47 H 0.3845 0.7936 0.4469 0.040 Uiso 1 1 calc R . .
C48 C 0.33406(12) 0.7782(2) 0.50185(14) 0.0242(8) Uani 1 1 d . . .
H48 H 0.3185 0.8258 0.4923 0.029 Uiso 1 1 calc R . .
C49 C 0.21598(12) 0.68781(19) 0.55868(14) 0.0195(7) Uani 1 1 d . . .
C50 C 0.16889(12) 0.7089(2) 0.56222(14) 0.0204(7) Uani 1 1 d . . .
H50 H 0.1625 0.7581 0.5778 0.024 Uiso 1 1 calc R . .
C51 C 0.13143(13) 0.6603(2) 0.54379(15) 0.0269(8) Uani 1 1 d . . .
H51 H 0.0999 0.6768 0.5463 0.032 Uiso 1 1 calc R . .
C52 C 0.13950(14) 0.5890(2) 0.52204(16) 0.0307(9) Uani 1 1 d . . .
H52 H 0.1137 0.5557 0.5097 0.037 Uiso 1 1 calc R . .
C53 C 0.18516(15) 0.5652(2) 0.51803(17) 0.0327(9) Uani 1 1 d . . .
H53 H 0.1911 0.5153 0.5033 0.039 Uiso 1 1 calc R . .
C54 C 0.22269(13) 0.6152(2) 0.53597(16) 0.0255(8) Uani 1 1 d . . .
H54 H 0.2540 0.5987 0.5324 0.031 Uiso 1 1 calc R . .
C55 C 0.39717(12) 0.6823(2) 0.70895(17) 0.0270(8) Uani 1 1 d . . .
H55A H 0.3880 0.6548 0.7440 0.032 Uiso 1 1 calc R . .
H55B H 0.3862 0.6507 0.6737 0.032 Uiso 1 1 calc R . .
C56 C 0.45117(13) 0.6855(3) 0.71482(19) 0.0359(10) Uani 1 1 d . . .
H56A H 0.4612 0.7067 0.6783 0.054 Uiso 1 1 calc R . .
H56B H 0.4640 0.6335 0.7215 0.054 Uiso 1 1 calc R . .
H56C H 0.4629 0.7185 0.7485 0.054 Uiso 1 1 calc R . .
C57 C 0.39363(12) 0.8201(2) 0.64186(15) 0.0246(8) Uani 1 1 d . . .
H57A H 0.4281 0.8230 0.6548 0.030 Uiso 1 1 calc R . .
H57B H 0.3891 0.7860 0.6067 0.030 Uiso 1 1 calc R . .
C58 C 0.37636(13) 0.9000(2) 0.62310(17) 0.0307(9) Uani 1 1 d . . .
H58A H 0.3431 0.8973 0.6061 0.046 Uiso 1 1 calc R . .
H58B H 0.3954 0.9202 0.5933 0.046 Uiso 1 1 calc R . .
H58C H 0.3794 0.9341 0.6577 0.046 Uiso 1 1 calc R . .
C59 C 0.39656(13) 0.8301(2) 0.76378(15) 0.0273(8) Uani 1 1 d . . .
H59A H 0.4303 0.8335 0.7572 0.033 Uiso 1 1 calc R . .
H59B H 0.3838 0.8832 0.7622 0.033 Uiso 1 1 calc R . .
C60 C 0.39416(15) 0.7985(3) 0.82557(16) 0.0389(10) Uani 1 1 d . . .
H60A H 0.3611 0.7962 0.8334 0.058 Uiso 1 1 calc R . .
H60B H 0.4120 0.8322 0.8548 0.058 Uiso 1 1 calc R . .
H60C H 0.4078 0.7466 0.8285 0.058 Uiso 1 1 calc R . .
C61 C 0.29667(13) 0.9389(2) 0.79116(16) 0.0261(8) Uani 1 1 d . . .
H61A H 0.2820 0.9665 0.8225 0.031 Uiso 1 1 calc R . .
H61B H 0.3288 0.9228 0.8083 0.031 Uiso 1 1 calc R . .
C62 C 0.30100(14) 0.9940(2) 0.74038(18) 0.0330(9) Uani 1 1 d . . .
H62A H 0.3150 0.9670 0.7088 0.050 Uiso 1 1 calc R . .
H62B H 0.3212 1.0374 0.7546 0.050 Uiso 1 1 calc R . .
H62C H 0.2695 1.0131 0.7248 0.050 Uiso 1 1 calc R . .
C63 C 0.20294(12) 0.8953(2) 0.74707(16) 0.0242(7) Uani 1 1 d . . .
H63A H 0.2030 0.9155 0.7063 0.029 Uiso 1 1 calc R . .
H63B H 0.1791 0.8535 0.7450 0.029 Uiso 1 1 calc R . .
C64 C 0.18581(14) 0.9602(2) 0.78503(18) 0.0329(9) Uani 1 1 d . . .
H64A H 0.1859 0.9422 0.8259 0.049 Uiso 1 1 calc R . .
H64B H 0.1536 0.9754 0.7689 0.049 Uiso 1 1 calc R . .
H64C H 0.2070 1.0047 0.7845 0.049 Uiso 1 1 calc R . .
C65 C 0.25519(15) 0.8103(2) 0.84375(16) 0.0316(9) Uani 1 1 d . . .
H65A H 0.2231 0.7878 0.8416 0.038 Uiso 1 1 calc R . .
H65B H 0.2778 0.7670 0.8501 0.038 Uiso 1 1 calc R . .
C66 C 0.26222(19) 0.8603(3) 0.89905(18) 0.0505(13) Uani 1 1 d . . .
H66A H 0.2945 0.8809 0.9041 0.076 Uiso 1 1 calc R . .
H66B H 0.2572 0.8292 0.9338 0.076 Uiso 1 1 calc R . .
H66C H 0.2395 0.9030 0.8950 0.076 Uiso 1 1 calc R . .
C67 C 0.26787(13) 0.6180(2) 0.79581(16) 0.0265(8) Uani 1 1 d . . .
H67A H 0.2492 0.6528 0.8185 0.032 Uiso 1 1 calc R . .
H67B H 0.2547 0.5654 0.7983 0.032 Uiso 1 1 calc R . .
C68 C 0.31871(14) 0.6173(3) 0.82566(17) 0.0360(10) Uani 1 1 d . . .
H68A H 0.3364 0.5764 0.8083 0.054 Uiso 1 1 calc R . .
H68B H 0.3189 0.6079 0.8683 0.054 Uiso 1 1 calc R . .
H68C H 0.3335 0.6672 0.8196 0.054 Uiso 1 1 calc R . .
C69 C 0.19695(12) 0.6222(2) 0.70084(16) 0.0218(7) Uani 1 1 d . . .
H69A H 0.1887 0.6219 0.6572 0.026 Uiso 1 1 calc R . .
H69B H 0.1926 0.5691 0.7152 0.026 Uiso 1 1 calc R . .
C70 C 0.16289(13) 0.6747(2) 0.7275(2) 0.0356(10) Uani 1 1 d . . .
H70A H 0.1708 0.6759 0.7707 0.053 Uiso 1 1 calc R . .
H70B H 0.1305 0.6554 0.7176 0.053 Uiso 1 1 calc R . .
H70C H 0.1652 0.7268 0.7115 0.053 Uiso 1 1 calc R . .
C71 C 0.28736(13) 0.5676(2) 0.68163(17) 0.0260(8) Uani 1 1 d . . .
H71A H 0.2815 0.5759 0.6382 0.031 Uiso 1 1 calc R . .
H71B H 0.3220 0.5709 0.6930 0.031 Uiso 1 1 calc R . .
C72 C 0.27216(15) 0.4855(2) 0.6940(2) 0.0386(10) Uani 1 1 d . . .
H72A H 0.2792 0.4746 0.7365 0.058 Uiso 1 1 calc R . .
H72B H 0.2894 0.4492 0.6715 0.058 Uiso 1 1 calc R . .
H72C H 0.2381 0.4800 0.6820 0.058 Uiso 1 1 calc R . .
C73 C 0.00978(11) 0.29139(19) 0.79070(13) 0.0167(7) Uani 1 1 d . . .
C74 C -0.01500(11) 0.2418(2) 0.82479(14) 0.0212(7) Uani 1 1 d . . .
H74 H -0.0041 0.1904 0.8312 0.025 Uiso 1 1 calc R . .
C75 C -0.05504(12) 0.2656(2) 0.84945(16) 0.0289(8) Uani 1 1 d . . .
H75 H -0.0711 0.2301 0.8718 0.035 Uiso 1 1 calc R . .
C76 C -0.07181(13) 0.3403(2) 0.84185(17) 0.0314(9) Uani 1 1 d . . .
H76 H -0.0990 0.3565 0.8590 0.038 Uiso 1 1 calc R . .
C77 C -0.04813(13) 0.3907(2) 0.80877(16) 0.0283(8) Uani 1 1 d . . .
H77 H -0.0591 0.4422 0.8031 0.034 Uiso 1 1 calc R . .
C78 C -0.00836(12) 0.3668(2) 0.78371(15) 0.0205(7) Uani 1 1 d . . .
H78 H 0.0072 0.4027 0.7610 0.025 Uiso 1 1 calc R . .
C79 C 0.08130(11) 0.16819(19) 0.80466(14) 0.0165(6) Uani 1 1 d . . .
C80 C 0.10673(12) 0.1772(2) 0.86118(15) 0.0219(7) Uani 1 1 d . . .
H80 H 0.1177 0.2271 0.8735 0.026 Uiso 1 1 calc R . .
C81 C 0.11637(13) 0.1156(2) 0.89946(16) 0.0282(8) Uani 1 1 d . . .
H81 H 0.1340 0.1237 0.9372 0.034 Uiso 1 1 calc R . .
C82 C 0.10059(13) 0.0429(2) 0.88336(16) 0.0267(8) Uani 1 1 d . . .
H82 H 0.1072 0.0007 0.9098 0.032 Uiso 1 1 calc R . .
C83 C 0.07514(13) 0.0318(2) 0.82848(16) 0.0262(8) Uani 1 1 d . . .
H83 H 0.0636 -0.0180 0.8171 0.031 Uiso 1 1 calc R . .
C84 C 0.06633(12) 0.09342(19) 0.78977(15) 0.0217(7) Uani 1 1 d . . .
H84 H 0.0495 0.0843 0.7517 0.026 Uiso 1 1 calc R . .
C85 C 0.11393(11) 0.32625(18) 0.78532(14) 0.0151(6) Uani 1 1 d . . .
C86 C 0.16020(12) 0.3100(2) 0.77445(15) 0.0232(8) Uani 1 1 d . . .
H86 H 0.1659 0.2658 0.7517 0.028 Uiso 1 1 calc R . .
C87 C 0.19800(13) 0.3566(2) 0.79604(16) 0.0292(9) Uani 1 1 d . . .
H87 H 0.2291 0.3434 0.7885 0.035 Uiso 1 1 calc R . .
C88 C 0.19076(13) 0.4216(2) 0.82830(16) 0.0277(8) Uani 1 1 d . . .
H88 H 0.2165 0.4543 0.8420 0.033 Uiso 1 1 calc R . .
C89 C 0.14577(13) 0.4387(2) 0.84047(18) 0.0309(9) Uani 1 1 d . . .
H89 H 0.1404 0.4833 0.8630 0.037 Uiso 1 1 calc R . .
C90 C 0.10801(12) 0.3908(2) 0.81983(16) 0.0232(7) Uani 1 1 d . . .
H90 H 0.0773 0.4027 0.8297 0.028 Uiso 1 1 calc R . .
C91 C -0.05069(12) 0.1537(2) 0.68127(16) 0.0233(7) Uani 1 1 d . . .
H91A H -0.0392 0.1662 0.7231 0.028 Uiso 1 1 calc R . .
H91B H -0.0855 0.1599 0.6761 0.028 Uiso 1 1 calc R . .
C92 C -0.03910(12) 0.0701(2) 0.66986(16) 0.0248(8) Uani 1 1 d . . .
H92A H -0.0545 0.0547 0.6307 0.037 Uiso 1 1 calc R . .
H92B H -0.0506 0.0375 0.7004 0.037 Uiso 1 1 calc R . .
H92C H -0.0048 0.0641 0.6711 0.037 Uiso 1 1 calc R . .
C93 C -0.05923(11) 0.31220(19) 0.64336(16) 0.0223(7) Uani 1 1 d . . .
H93A H -0.0387 0.3465 0.6702 0.027 Uiso 1 1 calc R . .
H93B H -0.0648 0.3385 0.6045 0.027 Uiso 1 1 calc R . .
C94 C -0.10672(14) 0.3067(2) 0.6677(2) 0.0454(12) Uani 1 1 d . . .
H94A H -0.1284 0.2749 0.6411 0.068 Uiso 1 1 calc R . .
H94B H -0.1201 0.3584 0.6704 0.068 Uiso 1 1 calc R . .
H94C H -0.1022 0.2831 0.7072 0.068 Uiso 1 1 calc R . .
C95 C -0.05216(12) 0.1909(2) 0.55937(15) 0.0232(7) Uani 1 1 d . . .
H95A H -0.0457 0.2306 0.5301 0.028 Uiso 1 1 calc R . .
H95B H -0.0354 0.1435 0.5496 0.028 Uiso 1 1 calc R . .
C96 C -0.10493(12) 0.1739(2) 0.54997(17) 0.0305(9) Uani 1 1 d . . .
H96A H -0.1124 0.1343 0.5782 0.046 Uiso 1 1 calc R . .
H96B H -0.1138 0.1553 0.5094 0.046 Uiso 1 1 calc R . .
H96C H -0.1226 0.2210 0.5563 0.046 Uiso 1 1 calc R . .
C97 C 0.05469(12) 0.0588(2) 0.56767(16) 0.0236(7) Uani 1 1 d . . .
H97A H 0.0539 0.0350 0.6072 0.028 Uiso 1 1 calc R . .
H97B H 0.0215 0.0689 0.5510 0.028 Uiso 1 1 calc R . .
C98 C 0.07514(15) -0.0005(2) 0.52783(19) 0.0370(10) Uani 1 1 d . . .
H98A H 0.0727 0.0192 0.4871 0.056 Uiso 1 1 calc R . .
H98B H 0.0574 -0.0488 0.5284 0.056 Uiso 1 1 calc R . .
H98C H 0.1085 -0.0098 0.5424 0.056 Uiso 1 1 calc R . .
C99 C 0.09139(12) 0.1814(2) 0.50194(14) 0.0248(8) Uani 1 1 d . . .
H99A H 0.1100 0.2297 0.5029 0.030 Uiso 1 1 calc R . .
H99B H 0.1096 0.1410 0.4838 0.030 Uiso 1 1 calc R . .
C100 C 0.04475(13) 0.1936(3) 0.46286(16) 0.0342(9) Uani 1 1 d . . .
H10A H 0.0267 0.1454 0.4600 0.051 Uiso 1 1 calc R . .
H10B H 0.0510 0.2097 0.4232 0.051 Uiso 1 1 calc R . .
H10C H 0.0264 0.2337 0.4803 0.051 Uiso 1 1 calc R . .
C101 C 0.14594(12) 0.1191(2) 0.60146(16) 0.0231(7) Uani 1 1 d . . .
H10D H 0.1560 0.0870 0.5692 0.028 Uiso 1 1 calc R . .
H10E H 0.1671 0.1644 0.6062 0.028 Uiso 1 1 calc R . .
C102 C 0.15251(13) 0.0725(2) 0.65877(17) 0.0284(8) Uani 1 1 d . . .
H10F H 0.1414 0.1028 0.6908 0.043 Uiso 1 1 calc R . .
H10G H 0.1861 0.0603 0.6690 0.043 Uiso 1 1 calc R . .
H10H H 0.1343 0.0246 0.6533 0.043 Uiso 1 1 calc R . .
C103 C 0.05862(12) 0.3871(2) 0.54156(15) 0.0245(8) Uani 1 1 d . . .
H10I H 0.0736 0.4374 0.5351 0.029 Uiso 1 1 calc R . .
H10J H 0.0723 0.3486 0.5164 0.029 Uiso 1 1 calc R . .
C104 C 0.00591(14) 0.3935(2) 0.52124(18) 0.0350(10) Uani 1 1 d . . .
H10K H -0.0097 0.3450 0.5296 0.053 Uiso 1 1 calc R . .
H10L H 0.0009 0.4038 0.4785 0.053 Uiso 1 1 calc R . .
H10M H -0.0075 0.4357 0.5425 0.053 Uiso 1 1 calc R . .
C105 C 0.04910(12) 0.43982(19) 0.65924(16) 0.0221(7) Uani 1 1 d . . .
H10N H 0.0143 0.4333 0.6547 0.027 Uiso 1 1 calc R . .
H10O H 0.0603 0.4341 0.7020 0.027 Uiso 1 1 calc R . .
C106 C 0.05935(14) 0.5226(2) 0.64172(18) 0.0298(9) Uani 1 1 d . . .
H10P H 0.0935 0.5323 0.6491 0.045 Uiso 1 1 calc R . .
H10Q H 0.0427 0.5584 0.6654 0.045 Uiso 1 1 calc R . .
H10R H 0.0485 0.5302 0.5995 0.045 Uiso 1 1 calc R . .
C107 C 0.13650(12) 0.3890(2) 0.63043(15) 0.0219(7) Uani 1 1 d . . .
H10S H 0.1384 0.4435 0.6179 0.026 Uiso 1 1 calc R . .
H10T H 0.1481 0.3866 0.6733 0.026 Uiso 1 1 calc R . .
C108 C 0.16925(13) 0.3416(2) 0.5970(2) 0.0352(10) Uani 1 1 d . . .
H10U H 0.1679 0.2875 0.6091 0.053 Uiso 1 1 calc R . .
H10V H 0.2017 0.3607 0.6061 0.053 Uiso 1 1 calc R . .
H10W H 0.1593 0.3458 0.5543 0.053 Uiso 1 1 calc R . .
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'
P P 0.1023 0.0942 '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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Si1 Rh1 P1 101.57(4) . . ?
Si1 Rh1 P3 99.21(3) . . ?
P1 Rh1 P3 103.47(3) . . ?
Si1 Rh1 P2 139.89(4) . . ?
P1 Rh1 P2 104.76(4) . . ?
P3 Rh1 P2 103.39(4) . . ?
Si1 Rh1 H1A 67.1(14) . . ?
P1 Rh1 H1A 166.5(14) . . ?
P3 Rh1 H1A 86.2(14) . . ?
P2 Rh1 H1A 81.7(14) . . ?
Si1 Rh1 H1B 73.1(17) . . ?
P1 Rh1 H1B 82.0(17) . . ?
P3 Rh1 H1B 171.5(17) . . ?
P2 Rh1 H1B 81.1(18) . . ?
H1A Rh1 H1B 87(2) . . ?
Si2 Rh2 P4 100.82(3) . . ?
Si2 Rh2 P6 97.89(3) . . ?
P4 Rh2 P6 104.97(3) . . ?
Si2 Rh2 P5 142.06(3) . . ?
P4 Rh2 P5 103.66(3) . . ?
P6 Rh2 P5 103.17(3) . . ?
Si2 Rh2 H2A 67.1(13) . . ?
P4 Rh2 H2A 165.5(13) . . ?
P6 Rh2 H2A 85.4(13) . . ?
P5 Rh2 H2A 83.4(13) . . ?
Si2 Rh2 H2B 72.7(16) . . ?
P4 Rh2 H2B 82.9(16) . . ?
P6 Rh2 H2B 168.9(16) . . ?
P5 Rh2 H2B 82.1(16) . . ?
H2A Rh2 H2B 86(2) . . ?
P7 Rh3 P8 103.86(3) . . ?
P7 Rh3 P9 103.51(3) . . ?
P8 Rh3 P9 103.84(3) . . ?
P7 Rh3 Si3 98.40(3) . . ?
P8 Rh3 Si3 143.44(3) . . ?
P9 Rh3 Si3 98.59(3) . . ?
P7 Rh3 H3A 165.6(12) . . ?
P8 Rh3 H3A 82.5(12) . . ?
P9 Rh3 H3A 87.1(12) . . ?
Si3 Rh3 H3A 70.1(12) . . ?
P7 Rh3 H3B 85.0(15) . . ?
P8 Rh3 H3B 78.2(16) . . ?
P9 Rh3 H3B 170.3(16) . . ?
Si3 Rh3 H3B 75.2(16) . . ?
H3A Rh3 H3B 83.7(19) . . ?
C7 Si1 C13 99.98(15) . . ?
C7 Si1 C1 99.73(16) . . ?
C13 Si1 C1 104.27(15) . . ?
C7 Si1 Rh1 115.62(12) . . ?
C13 Si1 Rh1 115.51(11) . . ?
C1 Si1 Rh1 118.92(10) . . ?
C49 Si2 C43 103.40(15) . . ?
C49 Si2 C37 100.08(14) . . ?
C43 Si2 C37 100.79(15) . . ?
C49 Si2 Rh2 116.40(11) . . ?
C43 Si2 Rh2 118.12(10) . . ?
C37 Si2 Rh2 115.34(11) . . ?
C79 Si3 C73 99.79(14) . . ?
C79 Si3 C85 99.86(13) . . ?
C73 Si3 C85 104.35(14) . . ?
C79 Si3 Rh3 115.14(11) . . ?
C73 Si3 Rh3 119.91(10) . . ?
C85 Si3 Rh3 114.92(10) . . ?
C19 P1 C21 102.4(2) . . ?
C19 P1 C23B 79.7(5) . . ?
C21 P1 C23B 105.4(5) . . ?
C19 P1 C23 105.5(2) . . ?
C21 P1 C23 101.1(2) . . ?
C23B P1 C23 25.9(4) . . ?
C19 P1 Rh1 113.98(14) . . ?
C21 P1 Rh1 117.71(12) . . ?
C23B P1 Rh1 128.8(5) . . ?
C23 P1 Rh1 114.46(16) . . ?
C25 P2 C27 101.3(2) . . ?
C25 P2 C29 100.1(3) . . ?
C27 P2 C29 98.3(2) . . ?
C25 P2 Rh1 116.46(17) . . ?
C27 P2 Rh1 126.40(16) . . ?
C29 P2 Rh1 110.03(15) . . ?
C35 P3 C33 99.12(17) . . ?
C35 P3 C31 101.16(18) . . ?
C33 P3 C31 98.94(17) . . ?
C35 P3 Rh1 117.04(12) . . ?
C33 P3 Rh1 116.30(13) . . ?
C31 P3 Rh1 120.58(13) . . ?
C59 P4 C55 101.26(17) . . ?
C59 P4 C57 96.69(17) . . ?
C55 P4 C57 99.73(17) . . ?
C59 P4 Rh2 119.17(13) . . ?
C55 P4 Rh2 119.52(12) . . ?
C57 P4 Rh2 116.38(11) . . ?
C63 P5 C61 100.50(17) . . ?
C63 P5 C65 103.36(18) . . ?
C61 P5 C65 100.72(17) . . ?
C63 P5 Rh2 108.01(12) . . ?
C61 P5 Rh2 119.49(13) . . ?
C65 P5 Rh2 121.78(13) . . ?
C67 P6 C71 101.63(17) . . ?
C67 P6 C69 97.66(17) . . ?
C71 P6 C69 100.10(17) . . ?
C67 P6 Rh2 120.94(13) . . ?
C71 P6 Rh2 116.50(12) . . ?
C69 P6 Rh2 116.38(12) . . ?
C95 P7 C93 101.95(16) . . ?
C95 P7 C91 100.66(16) . . ?
C93 P7 C91 102.77(16) . . ?
C95 P7 Rh3 119.02(11) . . ?
C93 P7 Rh3 116.81(11) . . ?
C91 P7 Rh3 113.17(12) . . ?
C101 P8 C99 98.92(16) . . ?
C101 P8 C97 99.61(16) . . ?
C99 P8 C97 101.83(17) . . ?
C101 P8 Rh3 111.62(12) . . ?
C99 P8 Rh3 125.63(13) . . ?
C97 P8 Rh3 115.23(12) . . ?
C107 P9 C105 98.50(16) . . ?
C107 P9 C103 99.38(16) . . ?
C105 P9 C103 102.02(17) . . ?
C107 P9 Rh3 116.08(12) . . ?
C105 P9 Rh3 117.05(11) . . ?
C103 P9 Rh3 120.18(12) . . ?
C2 C1 C6 115.9(3) . . ?
C2 C1 Si1 122.8(3) . . ?
C6 C1 Si1 121.3(3) . . ?
C1 C2 C3 122.1(3) . . ?
C1 C2 H2 118.9 . . ?
C3 C2 H2 118.9 . . ?
C4 C3 C2 120.4(4) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C5 C4 C3 119.0(4) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
C4 C5 C6 120.3(4) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C5 C6 C1 122.1(4) . . ?
C5 C6 H6 119.0 . . ?
C1 C6 H6 119.0 . . ?
C8 C7 C12 115.6(3) . . ?
C8 C7 Si1 123.9(3) . . ?
C12 C7 Si1 120.1(3) . . ?
C7 C8 C9 122.6(4) . . ?
C7 C8 H8 118.7 . . ?
C9 C8 H8 118.7 . . ?
C10 C9 C8 119.7(4) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C11 C10 C9 119.1(4) . . ?
C11 C10 H10 120.4 . . ?
C9 C10 H10 120.4 . . ?
C10 C11 C12 120.7(4) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C11 C12 C7 122.3(4) . . ?
C11 C12 H12 118.9 . . ?
C7 C12 H12 118.9 . . ?
C18 C13 C14 116.2(3) . . ?
C18 C13 Si1 125.8(3) . . ?
C14 C13 Si1 118.1(3) . . ?
C15 C14 C13 122.1(4) . . ?
C15 C14 H14 118.9 . . ?
C13 C14 H14 118.9 . . ?
C16 C15 C14 120.1(4) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C17 C16 C15 119.3(3) . . ?
C17 C16 H16 120.3 . . ?
C15 C16 H16 120.3 . . ?
C16 C17 C18 120.1(4) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C13 C18 C17 122.2(4) . . ?
C13 C18 H18 118.9 . . ?
C17 C18 H18 118.9 . . ?
C20B C19 C20 44.5(7) . . ?
C20B C19 P1 141.6(8) . . ?
C20 C19 P1 109.5(4) . . ?
C20B C19 H19A 106.5 . . ?
C20 C19 H19A 109.8 . . ?
P1 C19 H19A 109.8 . . ?
C20B C19 H19B 69.2 . . ?
C20 C19 H19B 109.8 . . ?
P1 C19 H19B 109.8 . . ?
H19A C19 H19B 108.2 . . ?
C20B C19 H19C 101.6 . . ?
C20 C19 H19C 83.0 . . ?
P1 C19 H19C 101.6 . . ?
H19A C19 H19C 33.6 . . ?
H19B C19 H19C 138.8 . . ?
C20B C19 H19D 101.6 . . ?
C20 C19 H19D 145.8 . . ?
P1 C19 H19D 101.6 . . ?
H19A C19 H19D 71.0 . . ?
H19B C19 H19D 44.0 . . ?
H19C C19 H19D 104.6 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C20B H20D 109.5 . . ?
C19 C20B H20E 109.5 . . ?
H20D C20B H20E 109.5 . . ?
C19 C20B H20F 109.5 . . ?
H20D C20B H20F 109.5 . . ?
H20E C20B H20F 109.5 . . ?
C22 C21 P1 119.6(3) . . ?
C22 C21 H21A 107.4 . . ?
P1 C21 H21A 107.4 . . ?
C22 C21 H21B 107.4 . . ?
P1 C21 H21B 107.4 . . ?
H21A C21 H21B 107.0 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 P1 118.1(4) . . ?
C24 C23 H23A 107.8 . . ?
P1 C23 H23A 107.8 . . ?
C24 C23 H23B 107.8 . . ?
P1 C23 H23B 107.8 . . ?
H23A C23 H23B 107.1 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C24B C23B P1 111.6(11) . . ?
C24B C23B H23C 109.3 . . ?
P1 C23B H23C 109.3 . . ?
C24B C23B H23D 109.3 . . ?
P1 C23B H23D 109.3 . . ?
H23C C23B H23D 108.0 . . ?
C23B C24B H24D 109.5 . . ?
C23B C24B H24E 109.5 . . ?
H24D C24B H24E 109.5 . . ?
C23B C24B H24F 109.5 . . ?
H24D C24B H24F 109.5 . . ?
H24E C24B H24F 109.5 . . ?
C26B C25 C26 97.7(7) . . ?
C26B C25 P2 132.8(7) . . ?
C26 C25 P2 115.6(4) . . ?
C26B C25 H25A 89.9 . . ?
C26 C25 H25A 108.4 . . ?
P2 C25 H25A 108.4 . . ?
C26B C25 H25B 25.5 . . ?
C26 C25 H25B 108.4 . . ?
P2 C25 H25B 108.4 . . ?
H25A C25 H25B 107.4 . . ?
C26B C25 H25C 104.0 . . ?
C26 C25 H25C 12.7 . . ?
P2 C25 H25C 104.0 . . ?
H25A C25 H25C 118.8 . . ?
H25B C25 H25C 109.5 . . ?
C26B C25 H25D 104.0 . . ?
C26 C25 H25D 96.8 . . ?
P2 C25 H25D 104.0 . . ?
H25A C25 H25D 16.9 . . ?
H25B C25 H25D 123.8 . . ?
H25C C25 H25D 105.5 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C26B H26D 109.5 . . ?
C25 C26B H26E 109.5 . . ?
H26D C26B H26E 109.5 . . ?
C25 C26B H26F 109.5 . . ?
H26D C26B H26F 109.5 . . ?
H26E C26B H26F 109.5 . . ?
C28 C27 P2 114.4(3) . . ?
C28 C27 H27A 108.7 . . ?
P2 C27 H27A 108.7 . . ?
C28 C27 H27B 108.7 . . ?
P2 C27 H27B 108.7 . . ?
H27A C27 H27B 107.6 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 C30B 91.9(8) . . ?
C30 C29 P2 118.0(4) . . ?
C30B C29 P2 106.1(7) . . ?
C30 C29 H29A 107.8 . . ?
C30B C29 H29A 125.4 . . ?
P2 C29 H29A 107.8 . . ?
C30 C29 H29B 107.8 . . ?
C30B C29 H29B 20.4 . . ?
P2 C29 H29B 107.8 . . ?
H29A C29 H29B 107.1 . . ?
C30 C29 H29C 18.6 . . ?
C30B C29 H29C 110.5 . . ?
P2 C29 H29C 110.5 . . ?
H29A C29 H29C 95.9 . . ?
H29B C29 H29C 125.9 . . ?
C30 C29 H29D 117.4 . . ?
C30B C29 H29D 110.5 . . ?
P2 C29 H29D 110.5 . . ?
H29A C29 H29D 16.1 . . ?
H29B C29 H29D 91.5 . . ?
H29C C29 H29D 108.7 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C30B H30D 109.5 . . ?
C29 C30B H30E 109.5 . . ?
H30D C30B H30E 109.5 . . ?
C29 C30B H30F 109.5 . . ?
H30D C30B H30F 109.5 . . ?
H30E C30B H30F 109.5 . . ?
C32 C31 P3 115.6(3) . . ?
C32 C31 H31A 108.4 . . ?
P3 C31 H31A 108.4 . . ?
C32 C31 H31B 108.4 . . ?
P3 C31 H31B 108.4 . . ?
H31A C31 H31B 107.4 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 P3 115.6(3) . . ?
C34 C33 H33A 108.4 . . ?
P3 C33 H33A 108.4 . . ?
C34 C33 H33B 108.4 . . ?
P3 C33 H33B 108.4 . . ?
H33A C33 H33B 107.4 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C35 P3 118.3(3) . . ?
C36 C35 H35A 107.7 . . ?
P3 C35 H35A 107.7 . . ?
C36 C35 H35B 107.7 . . ?
P3 C35 H35B 107.7 . . ?
H35A C35 H35B 107.1 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C42 C37 C38 116.3(3) . . ?
C42 C37 Si2 124.6(2) . . ?
C38 C37 Si2 118.8(3) . . ?
C39 C38 C37 122.0(3) . . ?
C39 C38 H38 119.0 . . ?
C37 C38 H38 119.0 . . ?
C40 C39 C38 120.0(3) . . ?
C40 C39 H39 120.0 . . ?
C38 C39 H39 120.0 . . ?
C39 C40 C41 119.6(3) . . ?
C39 C40 H40 120.2 . . ?
C41 C40 H40 120.2 . . ?
C40 C41 C42 120.4(3) . . ?
C40 C41 H41 119.8 . . ?
C42 C41 H41 119.8 . . ?
C41 C42 C37 121.7(3) . . ?
C41 C42 H42 119.2 . . ?
C37 C42 H42 119.2 . . ?
C44 C43 C48 116.0(3) . . ?
C44 C43 Si2 121.8(3) . . ?
C48 C43 Si2 122.0(3) . . ?
C45 C44 C43 122.6(3) . . ?
C45 C44 H44 118.7 . . ?
C43 C44 H44 118.7 . . ?
C44 C45 C46 119.4(4) . . ?
C44 C45 H45 120.3 . . ?
C46 C45 H45 120.3 . . ?
C47 C46 C45 119.5(4) . . ?
C47 C46 H46 120.2 . . ?
C45 C46 H46 120.2 . . ?
C46 C47 C48 120.7(4) . . ?
C46 C47 H47 119.7 . . ?
C48 C47 H47 119.7 . . ?
C47 C48 C43 121.7(4) . . ?
C47 C48 H48 119.1 . . ?
C43 C48 H48 119.1 . . ?
C54 C49 C50 115.8(3) . . ?
C54 C49 Si2 125.4(3) . . ?
C50 C49 Si2 118.8(3) . . ?
C51 C50 C49 122.1(3) . . ?
C51 C50 H50 119.0 . . ?
C49 C50 H50 119.0 . . ?
C52 C51 C50 120.4(4) . . ?
C52 C51 H51 119.8 . . ?
C50 C51 H51 119.8 . . ?
C51 C52 C53 119.9(3) . . ?
C51 C52 H52 120.1 . . ?
C53 C52 H52 120.1 . . ?
C52 C53 C54 119.2(4) . . ?
C52 C53 H53 120.4 . . ?
C54 C53 H53 120.4 . . ?
C49 C54 C53 122.6(4) . . ?
C49 C54 H54 118.7 . . ?
C53 C54 H54 118.7 . . ?
C56 C55 P4 117.6(3) . . ?
C56 C55 H55A 107.9 . . ?
P4 C55 H55A 107.9 . . ?
C56 C55 H55B 107.9 . . ?
P4 C55 H55B 107.9 . . ?
H55A C55 H55B 107.2 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C58 C57 P4 116.0(3) . . ?
C58 C57 H57A 108.3 . . ?
P4 C57 H57A 108.3 . . ?
C58 C57 H57B 108.3 . . ?
P4 C57 H57B 108.3 . . ?
H57A C57 H57B 107.4 . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C60 C59 P4 116.1(3) . . ?
C60 C59 H59A 108.3 . . ?
P4 C59 H59A 108.3 . . ?
C60 C59 H59B 108.3 . . ?
P4 C59 H59B 108.3 . . ?
H59A C59 H59B 107.4 . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C59 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C62 C61 P5 114.0(3) . . ?
C62 C61 H61A 108.7 . . ?
P5 C61 H61A 108.7 . . ?
C62 C61 H61B 108.7 . . ?
P5 C61 H61B 108.7 . . ?
H61A C61 H61B 107.6 . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C64 C63 P5 118.8(3) . . ?
C64 C63 H63A 107.6 . . ?
P5 C63 H63A 107.6 . . ?
C64 C63 H63B 107.6 . . ?
P5 C63 H63B 107.6 . . ?
H63A C63 H63B 107.0 . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C63 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C66 C65 P5 120.7(3) . . ?
C66 C65 H65A 107.2 . . ?
P5 C65 H65A 107.2 . . ?
C66 C65 H65B 107.2 . . ?
P5 C65 H65B 107.2 . . ?
H65A C65 H65B 106.8 . . ?
C65 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C65 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C68 C67 P6 115.6(3) . . ?
C68 C67 H67A 108.4 . . ?
P6 C67 H67A 108.4 . . ?
C68 C67 H67B 108.4 . . ?
P6 C67 H67B 108.4 . . ?
H67A C67 H67B 107.4 . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C70 C69 P6 115.1(3) . . ?
C70 C69 H69A 108.5 . . ?
P6 C69 H69A 108.5 . . ?
C70 C69 H69B 108.5 . . ?
P6 C69 H69B 108.5 . . ?
H69A C69 H69B 107.5 . . ?
C69 C70 H70A 109.5 . . ?
C69 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
C69 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C72 C71 P6 118.9(3) . . ?
C72 C71 H71A 107.6 . . ?
P6 C71 H71A 107.6 . . ?
C72 C71 H71B 107.6 . . ?
P6 C71 H71B 107.6 . . ?
H71A C71 H71B 107.0 . . ?
C71 C72 H72A 109.5 . . ?
C71 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C71 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C74 C73 C78 115.4(3) . . ?
C74 C73 Si3 121.2(3) . . ?
C78 C73 Si3 123.3(2) . . ?
C75 C74 C73 122.0(3) . . ?
C75 C74 H74 119.0 . . ?
C73 C74 H74 119.0 . . ?
C76 C75 C74 121.0(4) . . ?
C76 C75 H75 119.5 . . ?
C74 C75 H75 119.5 . . ?
C77 C76 C75 118.5(3) . . ?
C77 C76 H76 120.7 . . ?
C75 C76 H76 120.7 . . ?
C76 C77 C78 120.6(4) . . ?
C76 C77 H77 119.7 . . ?
C78 C77 H77 119.7 . . ?
C77 C78 C73 122.5(3) . . ?
C77 C78 H78 118.8 . . ?
C73 C78 H78 118.8 . . ?
C84 C79 C80 115.8(3) . . ?
C84 C79 Si3 123.4(2) . . ?
C80 C79 Si3 120.6(3) . . ?
C81 C80 C79 121.9(3) . . ?
C81 C80 H80 119.0 . . ?
C79 C80 H80 119.0 . . ?
C82 C81 C80 120.6(3) . . ?
C82 C81 H81 119.7 . . ?
C80 C81 H81 119.7 . . ?
C81 C82 C83 119.2(3) . . ?
C81 C82 H82 120.4 . . ?
C83 C82 H82 120.4 . . ?
C82 C83 C84 120.1(3) . . ?
C82 C83 H83 120.0 . . ?
C84 C83 H83 120.0 . . ?
C83 C84 C79 122.5(3) . . ?
C83 C84 H84 118.8 . . ?
C79 C84 H84 118.8 . . ?
C90 C85 C86 116.3(3) . . ?
C90 C85 Si3 125.0(3) . . ?
C86 C85 Si3 118.6(2) . . ?
C87 C86 C85 121.8(3) . . ?
C87 C86 H86 119.1 . . ?
C85 C86 H86 119.1 . . ?
C88 C87 C86 120.5(3) . . ?
C88 C87 H87 119.8 . . ?
C86 C87 H87 119.8 . . ?
C87 C88 C89 119.2(3) . . ?
C87 C88 H88 120.4 . . ?
C89 C88 H88 120.4 . . ?
C88 C89 C90 120.2(4) . . ?
C88 C89 H89 119.9 . . ?
C90 C89 H89 119.9 . . ?
C85 C90 C89 122.0(3) . . ?
C85 C90 H90 119.0 . . ?
C89 C90 H90 119.0 . . ?
C92 C91 P7 114.8(3) . . ?
C92 C91 H91A 108.6 . . ?
P7 C91 H91A 108.6 . . ?
C92 C91 H91B 108.6 . . ?
P7 C91 H91B 108.6 . . ?
H91A C91 H91B 107.5 . . ?
C91 C92 H92A 109.5 . . ?
C91 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C91 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C94 C93 P7 119.8(3) . . ?
C94 C93 H93A 107.4 . . ?
P7 C93 H93A 107.4 . . ?
C94 C93 H93B 107.4 . . ?
P7 C93 H93B 107.4 . . ?
H93A C93 H93B 106.9 . . ?
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 . . ?
C96 C95 P7 118.9(3) . . ?
C96 C95 H95A 107.6 . . ?
P7 C95 H95A 107.6 . . ?
C96 C95 H95B 107.6 . . ?
P7 C95 H95B 107.6 . . ?
H95A C95 H95B 107.0 . . ?
C95 C96 H96A 109.5 . . ?
C95 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C95 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
C98 C97 P8 117.9(3) . . ?
C98 C97 H97A 107.8 . . ?
P8 C97 H97A 107.8 . . ?
C98 C97 H97B 107.8 . . ?
P8 C97 H97B 107.8 . . ?
H97A C97 H97B 107.2 . . ?
C97 C98 H98A 109.5 . . ?
C97 C98 H98B 109.5 . . ?
H98A C98 H98B 109.5 . . ?
C97 C98 H98C 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C100 C99 P8 114.4(3) . . ?
C100 C99 H99A 108.7 . . ?
P8 C99 H99A 108.7 . . ?
C100 C99 H99B 108.7 . . ?
P8 C99 H99B 108.7 . . ?
H99A C99 H99B 107.6 . . ?
C99 C100 H10A 109.5 . . ?
C99 C100 H10B 109.5 . . ?
H10A C100 H10B 109.5 . . ?
C99 C100 H10C 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
C102 C101 P8 114.9(3) . . ?
C102 C101 H10D 108.5 . . ?
P8 C101 H10D 108.5 . . ?
C102 C101 H10E 108.5 . . ?
P8 C101 H10E 108.5 . . ?
H10D C101 H10E 107.5 . . ?
C101 C102 H10F 109.5 . . ?
C101 C102 H10G 109.5 . . ?
H10F C102 H10G 109.5 . . ?
C101 C102 H10H 109.5 . . ?
H10F C102 H10H 109.5 . . ?
H10G C102 H10H 109.5 . . ?
C104 C103 P9 115.0(3) . . ?
C104 C103 H10I 108.5 . . ?
P9 C103 H10I 108.5 . . ?
C104 C103 H10J 108.5 . . ?
P9 C103 H10J 108.5 . . ?
H10I C103 H10J 107.5 . . ?
C103 C104 H10K 109.5 . . ?
C103 C104 H10L 109.5 . . ?
H10K C104 H10L 109.5 . . ?
C103 C104 H10M 109.5 . . ?
H10K C104 H10M 109.5 . . ?
H10L C104 H10M 109.5 . . ?
C106 C105 P9 119.4(3) . . ?
C106 C105 H10N 107.5 . . ?
P9 C105 H10N 107.5 . . ?
C106 C105 H10O 107.5 . . ?
P9 C105 H10O 107.5 . . ?
H10N C105 H10O 107.0 . . ?
C105 C106 H10P 109.5 . . ?
C105 C106 H10Q 109.5 . . ?
H10P C106 H10Q 109.5 . . ?
C105 C106 H10R 109.5 . . ?
H10P C106 H10R 109.5 . . ?
H10Q C106 H10R 109.5 . . ?
C108 C107 P9 115.3(2) . . ?
C108 C107 H10S 108.4 . . ?
P9 C107 H10S 108.4 . . ?
C108 C107 H10T 108.4 . . ?
P9 C107 H10T 108.4 . . ?
H10S C107 H10T 107.5 . . ?
C107 C108 H10U 109.5 . . ?
C107 C108 H10V 109.5 . . ?
H10U C108 H10V 109.5 . . ?
C107 C108 H10W 109.5 . . ?
H10U C108 H10W 109.5 . . ?
H10V C108 H10W 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 Si1 2.3571(10) . ?
Rh1 P1 2.3594(10) . ?
Rh1 P3 2.3609(10) . ?
Rh1 P2 2.3627(11) . ?
Rh1 H1A 1.52(4) . ?
Rh1 H1B 1.51(5) . ?
Rh2 Si2 2.3548(9) . ?
Rh2 P4 2.3613(9) . ?
Rh2 P6 2.3705(9) . ?
Rh2 P5 2.3796(9) . ?
Rh2 H2A 1.48(3) . ?
Rh2 H2B 1.47(4) . ?
Rh3 P7 2.3573(9) . ?
Rh3 P8 2.3649(9) . ?
Rh3 P9 2.3700(9) . ?
Rh3 Si3 2.3718(9) . ?
Rh3 H3A 1.54(3) . ?
Rh3 H3B 1.48(4) . ?
Si1 C7 1.920(4) . ?
Si1 C13 1.921(3) . ?
Si1 C1 1.923(4) . ?
Si2 C49 1.916(3) . ?
Si2 C43 1.922(3) . ?
Si2 C37 1.926(3) . ?
Si3 C79 1.922(3) . ?
Si3 C73 1.925(3) . ?
Si3 C85 1.927(3) . ?
P1 C19 1.819(4) . ?
P1 C21 1.841(4) . ?
P1 C23B 1.841(13) . ?
P1 C23 1.872(5) . ?
P2 C25 1.833(5) . ?
P2 C27 1.841(4) . ?
P2 C29 1.863(5) . ?
P3 C35 1.840(4) . ?
P3 C33 1.842(4) . ?
P3 C31 1.844(3) . ?
P4 C59 1.843(4) . ?
P4 C55 1.845(4) . ?
P4 C57 1.856(4) . ?
P5 C63 1.842(4) . ?
P5 C61 1.848(4) . ?
P5 C65 1.856(4) . ?
P6 C67 1.838(4) . ?
P6 C71 1.842(4) . ?
P6 C69 1.843(3) . ?
P7 C95 1.840(3) . ?
P7 C93 1.844(3) . ?
P7 C91 1.845(3) . ?
P8 C101 1.841(3) . ?
P8 C99 1.843(3) . ?
P8 C97 1.850(3) . ?
P9 C107 1.841(3) . ?
P9 C105 1.842(4) . ?
P9 C103 1.847(3) . ?
C1 C2 1.389(5) . ?
C1 C6 1.399(5) . ?
C2 C3 1.391(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.375(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.372(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.390(5) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.381(5) . ?
C7 C12 1.405(5) . ?
C8 C9 1.391(6) . ?
C8 H8 0.9500 . ?
C9 C10 1.382(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.365(6) . ?
C10 H10 0.9500 . ?
C11 C12 1.373(5) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.388(5) . ?
C13 C14 1.405(5) . ?
C14 C15 1.383(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.382(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.377(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.395(5) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20B 1.373(15) . ?
C19 C20 1.626(8) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 H19C 0.9900 . ?
C19 H19D 0.9900 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C20B H20D 0.9800 . ?
C20B H20E 0.9800 . ?
C20B H20F 0.9800 . ?
C21 C22 1.518(5) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.516(7) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C23B C24B 1.51(2) . ?
C23B H23C 0.9900 . ?
C23B H23D 0.9900 . ?
C24B H24D 0.9800 . ?
C24B H24E 0.9800 . ?
C24B H24F 0.9800 . ?
C25 C26B 1.445(14) . ?
C25 C26 1.545(8) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 H25C 0.9900 . ?
C25 H25D 0.9900 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C26B H26D 0.9800 . ?
C26B H26E 0.9800 . ?
C26B H26F 0.9800 . ?
C27 C28 1.501(6) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.476(8) . ?
C29 C30B 1.634(18) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 H29C 0.9900 . ?
C29 H29D 0.9900 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C30B H30D 0.9800 . ?
C30B H30E 0.9800 . ?
C30B H30F 0.9800 . ?
C31 C32 1.519(5) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.513(6) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.529(5) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C42 1.396(5) . ?
C37 C38 1.403(5) . ?
C38 C39 1.391(5) . ?
C38 H38 0.9500 . ?
C39 C40 1.372(5) . ?
C39 H39 0.9500 . ?
C40 C41 1.379(5) . ?
C40 H40 0.9500 . ?
C41 C42 1.391(5) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C44 1.396(5) . ?
C43 C48 1.404(5) . ?
C44 C45 1.388(5) . ?
C44 H44 0.9500 . ?
C45 C46 1.389(6) . ?
C45 H45 0.9500 . ?
C46 C47 1.371(6) . ?
C46 H46 0.9500 . ?
C47 C48 1.385(5) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 C54 1.383(5) . ?
C49 C50 1.401(5) . ?
C50 C51 1.384(5) . ?
C50 H50 0.9500 . ?
C51 C52 1.363(5) . ?
C51 H51 0.9500 . ?
C52 C53 1.377(6) . ?
C52 H52 0.9500 . ?
C53 C54 1.399(5) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C55 C56 1.528(5) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C58 1.514(5) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 C60 1.515(5) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 C62 1.514(5) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 C64 1.533(5) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 C66 1.519(5) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 C68 1.522(5) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 C70 1.509(5) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 C72 1.524(5) . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 C74 1.403(5) . ?
C73 C78 1.409(5) . ?
C74 C75 1.392(5) . ?
C74 H74 0.9500 . ?
C75 C76 1.384(6) . ?
C75 H75 0.9500 . ?
C76 C77 1.380(5) . ?
C76 H76 0.9500 . ?
C77 C78 1.390(5) . ?
C77 H77 0.9500 . ?
C78 H78 0.9500 . ?
C79 C84 1.394(5) . ?
C79 C80 1.404(4) . ?
C80 C81 1.384(5) . ?
C80 H80 0.9500 . ?
C81 C82 1.374(5) . ?
C81 H81 0.9500 . ?
C82 C83 1.377(5) . ?
C82 H82 0.9500 . ?
C83 C84 1.387(5) . ?
C83 H83 0.9500 . ?
C84 H84 0.9500 . ?
C85 C90 1.389(5) . ?
C85 C86 1.398(5) . ?
C86 C87 1.387(5) . ?
C86 H86 0.9500 . ?
C87 C88 1.374(5) . ?
C87 H87 0.9500 . ?
C88 C89 1.375(5) . ?
C88 H88 0.9500 . ?
C89 C90 1.394(5) . ?
C89 H89 0.9500 . ?
C90 H90 0.9500 . ?
C91 C92 1.517(5) . ?
C91 H91A 0.9900 . ?
C91 H91B 0.9900 . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C93 C94 1.523(5) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C94 H94A 0.9800 . ?
C94 H94B 0.9800 . ?
C94 H94C 0.9800 . ?
C95 C96 1.521(5) . ?
C95 H95A 0.9900 . ?
C95 H95B 0.9900 . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?
C97 C98 1.530(5) . ?
C97 H97A 0.9900 . ?
C97 H97B 0.9900 . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
C99 C100 1.520(5) . ?
C99 H99A 0.9900 . ?
C99 H99B 0.9900 . ?
C100 H10A 0.9800 . ?
C100 H10B 0.9800 . ?
C100 H10C 0.9800 . ?
C101 C102 1.523(5) . ?
C101 H10D 0.9900 . ?
C101 H10E 0.9900 . ?
C102 H10F 0.9800 . ?
C102 H10G 0.9800 . ?
C102 H10H 0.9800 . ?
C103 C104 1.520(5) . ?
C103 H10I 0.9900 . ?
C103 H10J 0.9900 . ?
C104 H10K 0.9800 . ?
C104 H10L 0.9800 . ?
C104 H10M 0.9800 . ?
C105 C106 1.527(5) . ?
C105 H10N 0.9900 . ?
C105 H10O 0.9900 . ?
C106 H10P 0.9800 . ?
C106 H10Q 0.9800 . ?
C106 H10R 0.9800 . ?
C107 C108 1.514(5) . ?
C107 H10S 0.9900 . ?
C107 H10T 0.9900 . ?
C108 H10U 0.9800 . ?
C108 H10V 0.9800 . ?
C108 H10W 0.9800 . ?
