#------------------------------------------------------------------------------
#$Date: 2015-06-10 12:32:18 +0300 (Wed, 10 Jun 2015) $
#$Revision: 139045 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/72/7117294.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_7117294
loop_
_publ_author_name
'E. Louise Hazeland'
'Andy M. Chapman'
'Paul G. Pringle'
'Hazel A. Sparkes'
_publ_section_title
;
 A one-step, modular route to optically-active diphos ligands
;
_journal_name_full               Chem.Commun.
_journal_page_first              10206
_journal_paper_doi               10.1039/C5cc03517A
_journal_volume                  51
_journal_year                    2015
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C33 H48 P2 Rh, B F4'
_chemical_formula_sum            'C33 H48 B F4 P2 Rh'
_chemical_formula_weight         696.37
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2015-04-13
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_audit_update_record
;
2015-04-13 deposited with the CCDC.
2015-05-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.9680(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.6347(3)
_cell_length_b                   29.6678(7)
_cell_length_c                   10.7567(3)
_cell_measurement_reflns_used    9982
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.53
_cell_measurement_theta_min      2.38
_cell_volume                     3262.88(15)
_computing_cell_refinement       'SAINT v8.27A (Bruker, 2012)'
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.0
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0382
_diffrn_reflns_av_unetI/netI     0.0242
_diffrn_reflns_laue_measured_fraction_full 1.000
_diffrn_reflns_laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            114262
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.608
_diffrn_reflns_theta_min         1.373
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.666
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6878
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.0552 before and 0.0514 after correction.
The Ratio of minimum to maximum transmission is 0.9225.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.418
_exptl_crystal_density_meas      .
_exptl_crystal_description       block
_exptl_crystal_F_000             1448
_exptl_crystal_recrystallization_method 'Vapour Deposition'
_exptl_crystal_size_max          0.278
_exptl_crystal_size_mid          0.276
_exptl_crystal_size_min          0.224
_refine_diff_density_max         0.706
_refine_diff_density_min         -0.319
_refine_diff_density_rms         0.051
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   -0.018(13)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     752
_refine_ls_number_reflns         15088
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0234
_refine_ls_R_factor_gt           0.0218
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0264P)²+0.7712P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0494
_refine_ls_wR_factor_ref         0.0501
_reflns_Friedel_coverage         0.962
_reflns_friedel_fraction_full    1.000
_reflns_friedel_fraction_max     0.999
_reflns_number_gt                14574
_reflns_number_total             15088
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5cc03517a2.cif
_cod_data_source_block           lh283
_cod_database_code               7117294
_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.
;
_olex2_refinement_description
;
1. Twinned data refinement
 Scales: 1.018(13) -0.018(13)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3.a Ternary CH refined with riding coordinates:
 C5(H5), C2(H2), C35(H35), C38(H38)
3.b Secondary CH2 refined with riding coordinates:
 C28(H28A,H28B), C29(H29A,H29B), C32(H32A,H32B), C33(H33A,H33B), C4(H4A,H4B),
 C3(H3A,H3B), C1(H1A,H1B), C66(H66A,H66B), C61(H61A,H61B), C62(H62A,H62B),
 C65(H65A,H65B), C36(H36A,H36B), C37(H37A,H37B), C34(H34A,H34B)
3.c Aromatic/amide H refined with riding coordinates:
 C26(H26), C27(H27), C30(H30), C31(H31), C13(H13), C14(H14), C15(H15),
 C16(H16), C17(H17), C7(H7), C8(H8), C9(H9), C10(H10), C11(H11), C59(H59),
 C60(H60), C63(H63), C64(H64), C40(H40), C41(H41), C42(H42), C43(H43), C44(H44),
  C46(H46), C47(H47), C48(H48), C49(H49), C50(H50)
3.d Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C23(H23A,H23B,
 H23C), C25(H25A,H25B,H25C), C24(H24A,H24B,H24C), C52(H52A,H52B,H52C), C54(H54A,
 H54B,H54C), C53(H53A,H53B,H53C), C57(H57A,H57B,H57C), C56(H56A,H56B,H56C),
 C58(H58A,H58B,H58C)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.39349(2) 0.34746(2) 0.37363(2) 0.01249(5) Uani 1 1 d . . . . .
P1 P 0.51804(7) 0.38658(2) 0.54688(7) 0.01309(14) Uani 1 1 d . . . . .
P2 P 0.41563(7) 0.30247(2) 0.55477(7) 0.01247(14) Uani 1 1 d . . . . .
C26 C 0.4509(3) 0.38131(11) 0.2126(3) 0.0206(6) Uani 1 1 d . . . . .
H26 H 0.5328 0.3875 0.2685 0.025 Uiso 1 1 calc R . . . .
C27 C 0.3483(3) 0.40529(11) 0.2322(3) 0.0222(7) Uani 1 1 d . . . . .
H27 H 0.3668 0.4256 0.3007 0.027 Uiso 1 1 calc R . . . .
C28 C 0.2080(3) 0.40172(13) 0.1525(3) 0.0307(8) Uani 1 1 d . . . . .
H28A H 0.2061 0.3931 0.0651 0.037 Uiso 1 1 calc R . . . .
H28B H 0.1671 0.4311 0.1485 0.037 Uiso 1 1 calc R . . . .
C29 C 0.1287(3) 0.36774(14) 0.2059(3) 0.0317(8) Uani 1 1 d . . . . .
H29A H 0.1035 0.3816 0.2772 0.038 Uiso 1 1 calc R . . . .
H29B H 0.0491 0.3609 0.1389 0.038 Uiso 1 1 calc R . . . .
C30 C 0.1982(3) 0.32446(12) 0.2522(3) 0.0273(7) Uani 1 1 d . . . . .
H30 H 0.1775 0.3109 0.3220 0.033 Uiso 1 1 calc R . . . .
C31 C 0.2876(3) 0.30248(12) 0.2054(3) 0.0247(7) Uani 1 1 d . . . . .
H31 H 0.3279 0.2775 0.2517 0.030 Uiso 1 1 calc R . . . .
C32 C 0.3282(3) 0.31478(13) 0.0849(3) 0.0299(7) Uani 1 1 d . . . . .
H32A H 0.2550 0.3292 0.0236 0.036 Uiso 1 1 calc R . . . .
H32B H 0.3483 0.2873 0.0452 0.036 Uiso 1 1 calc R . . . .
C33 C 0.4466(3) 0.34620(13) 0.1111(3) 0.0284(7) Uani 1 1 d . . . . .
H33A H 0.5255 0.3281 0.1376 0.034 Uiso 1 1 calc R . . . .
H33B H 0.4468 0.3612 0.0311 0.034 Uiso 1 1 calc R . . . .
C12 C 0.7370(3) 0.40931(10) 0.4612(3) 0.0188(6) Uani 1 1 d . . . . .
C13 C 0.7070(3) 0.44811(11) 0.3856(3) 0.0224(6) Uani 1 1 d . . . . .
H13 H 0.6619 0.4715 0.4118 0.027 Uiso 1 1 calc R . . . .
C14 C 0.7435(3) 0.45239(12) 0.2715(3) 0.0291(7) Uani 1 1 d . . . . .
H14 H 0.7236 0.4786 0.2225 0.035 Uiso 1 1 calc R . . . .
C15 C 0.8093(4) 0.41761(13) 0.2311(4) 0.0333(8) Uani 1 1 d . . . . .
H15 H 0.8337 0.4203 0.1548 0.040 Uiso 1 1 calc R . . . .
C16 C 0.8388(3) 0.37875(12) 0.3047(4) 0.0313(8) Uani 1 1 d . . . . .
H16 H 0.8818 0.3551 0.2768 0.038 Uiso 1 1 calc R . . . .
C17 C 0.8048(3) 0.37482(11) 0.4193(3) 0.0239(7) Uani 1 1 d . . . . .
H17 H 0.8274 0.3489 0.4692 0.029 Uiso 1 1 calc R . . . .
C5 C 0.6942(3) 0.40315(10) 0.5824(3) 0.0179(6) Uani 1 1 d . . . . .
H5 H 0.7470 0.3789 0.6331 0.021 Uiso 1 1 calc R . . . .
C4 C 0.7087(3) 0.44553(12) 0.6705(3) 0.0254(7) Uani 1 1 d . . . . .
H4A H 0.7853 0.4422 0.7438 0.031 Uiso 1 1 calc R . . . .
H4B H 0.7210 0.4720 0.6223 0.031 Uiso 1 1 calc R . . . .
C3 C 0.5870(3) 0.45177(11) 0.7190(3) 0.0217(6) Uani 1 1 d . . . . .
H3A H 0.5825 0.4824 0.7487 0.026 Uiso 1 1 calc R . . . .
H3B H 0.5896 0.4313 0.7900 0.026 Uiso 1 1 calc R . . . .
C2 C 0.4685(3) 0.44141(9) 0.6041(3) 0.0164(6) Uani 1 1 d . . . . .
H2 H 0.4664 0.4640 0.5370 0.020 Uiso 1 1 calc R . . . .
C6 C 0.3349(3) 0.44054(9) 0.6277(3) 0.0166(6) Uani 1 1 d . . . . .
C7 C 0.3164(3) 0.43024(10) 0.7482(3) 0.0187(6) Uani 1 1 d . . . . .
H7 H 0.3884 0.4262 0.8194 0.022 Uiso 1 1 calc R . . . .
C8 C 0.1905(3) 0.42609(10) 0.7619(3) 0.0214(6) Uani 1 1 d . . . . .
H8 H 0.1792 0.4185 0.8420 0.026 Uiso 1 1 calc R . . . .
C9 C 0.0825(3) 0.43311(11) 0.6586(3) 0.0233(7) Uani 1 1 d . . . . .
H9 H -0.0011 0.4301 0.6687 0.028 Uiso 1 1 calc R . . . .
C10 C 0.0992(3) 0.44477(10) 0.5393(3) 0.0219(6) Uani 1 1 d . . . . .
H10 H 0.0268 0.4501 0.4695 0.026 Uiso 1 1 calc R . . . .
C11 C 0.2245(3) 0.44843(10) 0.5246(3) 0.0192(6) Uani 1 1 d . . . . .
H11 H 0.2351 0.4563 0.4443 0.023 Uiso 1 1 calc R . . . .
C1 C 0.5069(3) 0.34491(10) 0.6703(3) 0.0160(5) Uani 1 1 d . . . . .
H1A H 0.4577 0.3560 0.7277 0.019 Uiso 1 1 calc R . . . .
H1B H 0.5919 0.3341 0.7201 0.019 Uiso 1 1 calc R . . . .
C18 C 0.2728(3) 0.28697(9) 0.6176(3) 0.0165(6) Uani 1 1 d . . . . .
C19 C 0.1744(3) 0.32602(11) 0.5821(3) 0.0224(6) Uani 1 1 d . . . . .
H19A H 0.2179 0.3539 0.6125 0.034 Uiso 1 1 calc GR . . . .
H19B H 0.1048 0.3212 0.6216 0.034 Uiso 1 1 calc GR . . . .
H19C H 0.1390 0.3273 0.4899 0.034 Uiso 1 1 calc GR . . . .
C20 C 0.3106(3) 0.28143(12) 0.7647(3) 0.0261(7) Uani 1 1 d . . . . .
H20A H 0.3749 0.2580 0.7899 0.039 Uiso 1 1 calc GR . . . .
H20B H 0.2345 0.2736 0.7916 0.039 Uiso 1 1 calc GR . . . .
H20C H 0.3462 0.3092 0.8050 0.039 Uiso 1 1 calc GR . . . .
C21 C 0.2064(3) 0.24360(10) 0.5546(3) 0.0224(7) Uani 1 1 d . . . . .
H21A H 0.1897 0.2457 0.4625 0.034 Uiso 1 1 calc GR . . . .
H21B H 0.1252 0.2396 0.5761 0.034 Uiso 1 1 calc GR . . . .
H21C H 0.2626 0.2184 0.5859 0.034 Uiso 1 1 calc GR . . . .
C22 C 0.5321(3) 0.25421(10) 0.5626(3) 0.0194(6) Uani 1 1 d . . . . .
C23 C 0.5696(4) 0.23003(12) 0.6933(3) 0.0311(8) Uani 1 1 d . . . . .
H23A H 0.5978 0.2518 0.7614 0.047 Uiso 1 1 calc GR . . . .
H23B H 0.6394 0.2092 0.6960 0.047 Uiso 1 1 calc GR . . . .
H23C H 0.4952 0.2139 0.7046 0.047 Uiso 1 1 calc GR . . . .
C25 C 0.6560(3) 0.27468(12) 0.5380(4) 0.0280(7) Uani 1 1 d . . . . .
H25A H 0.6323 0.2924 0.4603 0.042 Uiso 1 1 calc GR . . . .
H25B H 0.7140 0.2509 0.5286 0.042 Uiso 1 1 calc GR . . . .
H25C H 0.6991 0.2935 0.6097 0.042 Uiso 1 1 calc GR . . . .
C24 C 0.4766(3) 0.22022(11) 0.4542(3) 0.0297(8) Uani 1 1 d . . . . .
H24A H 0.3959 0.2082 0.4637 0.045 Uiso 1 1 calc GR . . . .
H24B H 0.5382 0.1962 0.4591 0.045 Uiso 1 1 calc GR . . . .
H24C H 0.4608 0.2350 0.3720 0.045 Uiso 1 1 calc GR . . . .
Rh2 Rh 0.17270(2) 0.65313(2) 0.82714(2) 0.01407(5) Uani 1 1 d . . . . .
P3 P 0.26516(7) 0.58389(2) 0.88294(7) 0.01261(14) Uani 1 1 d . . . . .
P4 P 0.08276(7) 0.60391(2) 0.65530(7) 0.01338(14) Uani 1 1 d . . . . .
C66 C 0.3187(4) 0.74192(12) 0.8882(4) 0.0392(9) Uani 1 1 d . . . . .
H66A H 0.3727 0.7392 0.8292 0.047 Uiso 1 1 calc R . . . .
H66B H 0.3586 0.7645 0.9522 0.047 Uiso 1 1 calc R . . . .
C59 C 0.3201(3) 0.69751(11) 0.9561(3) 0.0247(7) Uani 1 1 d . . . . .
H59 H 0.3846 0.6771 0.9502 0.030 Uiso 1 1 calc R . . . .
C60 C 0.2375(3) 0.68407(11) 1.0249(3) 0.0233(7) Uani 1 1 d . . . . .
H60 H 0.2484 0.6552 1.0600 0.028 Uiso 1 1 calc R . . . .
C61 C 0.1288(4) 0.71276(13) 1.0486(3) 0.0315(8) Uani 1 1 d . . . . .
H61A H 0.1167 0.7047 1.1320 0.038 Uiso 1 1 calc R . . . .
H61B H 0.1556 0.7441 1.0530 0.038 Uiso 1 1 calc R . . . .
C62 C 0.0003(3) 0.70822(14) 0.9481(4) 0.0377(9) Uani 1 1 d . . . . .
H62A H -0.0511 0.7351 0.9504 0.045 Uiso 1 1 calc R . . . .
H62B H -0.0463 0.6828 0.9708 0.045 Uiso 1 1 calc R . . . .
C63 C 0.0089(3) 0.70159(12) 0.8109(3) 0.0314(8) Uani 1 1 d . . . . .
H63 H -0.0503 0.6812 0.7611 0.038 Uiso 1 1 calc R . . . .
C64 C 0.0909(4) 0.72144(11) 0.7516(4) 0.0358(9) Uani 1 1 d . . . . .
H64 H 0.0897 0.7118 0.6690 0.043 Uiso 1 1 calc R . . . .
C65 C 0.1851(4) 0.75871(13) 0.8130(5) 0.0464(11) Uani 1 1 d . . . . .
H65A H 0.1952 0.7790 0.7457 0.056 Uiso 1 1 calc R . . . .
H65B H 0.1474 0.7758 0.8708 0.056 Uiso 1 1 calc R . . . .
C39 C 0.5341(3) 0.60487(10) 0.9491(3) 0.0163(6) Uani 1 1 d . . . . .
C40 C 0.5710(3) 0.61937(10) 1.0778(3) 0.0188(6) Uani 1 1 d . . . . .
H40 H 0.5406 0.6041 1.1393 0.023 Uiso 1 1 calc R . . . .
C41 C 0.6528(3) 0.65654(12) 1.1147(3) 0.0233(6) Uani 1 1 d . . . . .
H41 H 0.6770 0.6657 1.2007 0.028 Uiso 1 1 calc R . . . .
C42 C 0.6984(3) 0.67993(11) 1.0245(3) 0.0247(7) Uani 1 1 d . . . . .
H42 H 0.7519 0.7050 1.0492 0.030 Uiso 1 1 calc R . . . .
C43 C 0.6637(3) 0.66560(11) 0.8969(3) 0.0252(7) Uani 1 1 d . . . . .
H43 H 0.6944 0.6810 0.8358 0.030 Uiso 1 1 calc R . . . .
C44 C 0.5830(3) 0.62834(11) 0.8601(3) 0.0210(6) Uani 1 1 d . . . . .
H44 H 0.5611 0.6188 0.7744 0.025 Uiso 1 1 calc R . . . .
C35 C 0.4399(3) 0.56608(10) 0.9052(3) 0.0156(6) Uani 1 1 d . . . . .
H35 H 0.4485 0.5553 0.8218 0.019 Uiso 1 1 calc R . . . .
C36 C 0.4611(3) 0.52525(10) 0.9999(3) 0.0185(6) Uani 1 1 d . . . . .
H36A H 0.5008 0.5006 0.9651 0.022 Uiso 1 1 calc R . . . .
H36B H 0.5203 0.5339 1.0824 0.022 Uiso 1 1 calc R . . . .
C37 C 0.3312(3) 0.50965(10) 1.0203(3) 0.0168(6) Uani 1 1 d . . . . .
H37A H 0.3468 0.4929 1.1006 0.020 Uiso 1 1 calc R . . . .
H37B H 0.2858 0.4902 0.9498 0.020 Uiso 1 1 calc R . . . .
C38 C 0.2487(3) 0.55156(10) 1.0254(3) 0.0146(5) Uani 1 1 d . . . . .
H38 H 0.2930 0.5686 1.1031 0.018 Uiso 1 1 calc R . . . .
C45 C 0.1084(3) 0.54414(10) 1.0280(3) 0.0170(6) Uani 1 1 d . . . . .
C46 C 0.0424(3) 0.57888(11) 1.0709(3) 0.0220(6) Uani 1 1 d . . . . .
H46 H 0.0853 0.6059 1.0987 0.026 Uiso 1 1 calc R . . . .
C47 C -0.0873(3) 0.57344(12) 1.0726(3) 0.0271(7) Uani 1 1 d . . . . .
H47 H -0.1307 0.5969 1.1005 0.033 Uiso 1 1 calc R . . . .
C48 C -0.1518(3) 0.53323(13) 1.0329(3) 0.0283(7) Uani 1 1 d . . . . .
H48 H -0.2381 0.5296 1.0346 0.034 Uiso 1 1 calc R . . . .
C49 C -0.0870(3) 0.49851(12) 0.9906(3) 0.0254(7) Uani 1 1 d . . . . .
H49 H -0.1298 0.4714 0.9642 0.030 Uiso 1 1 calc R . . . .
C50 C 0.0421(3) 0.50407(11) 0.9873(3) 0.0194(6) Uani 1 1 d . . . . .
H50 H 0.0844 0.4807 0.9576 0.023 Uiso 1 1 calc R . . . .
C34 C 0.1653(3) 0.55327(9) 0.7404(3) 0.0140(5) Uani 1 1 d . . . . .
H34A H 0.1047 0.5323 0.7621 0.017 Uiso 1 1 calc R . . . .
H34B H 0.2181 0.5379 0.6929 0.017 Uiso 1 1 calc R . . . .
C51 C 0.1555(3) 0.61174(10) 0.5162(3) 0.0197(6) Uani 1 1 d . . . . .
C52 C 0.3038(3) 0.61557(12) 0.5777(3) 0.0270(7) Uani 1 1 d . . . . .
H52A H 0.3210 0.6387 0.6427 0.040 Uiso 1 1 calc GR . . . .
H52B H 0.3461 0.6231 0.5123 0.040 Uiso 1 1 calc GR . . . .
H52C H 0.3370 0.5873 0.6166 0.040 Uiso 1 1 calc GR . . . .
C54 C 0.1102(4) 0.65621(14) 0.4449(3) 0.0352(8) Uani 1 1 d . . . . .
H54A H 0.0179 0.6547 0.4035 0.053 Uiso 1 1 calc GR . . . .
H54B H 0.1564 0.6610 0.3809 0.053 Uiso 1 1 calc GR . . . .
H54C H 0.1278 0.6807 0.5056 0.053 Uiso 1 1 calc GR . . . .
C53 C 0.1292(3) 0.57267(12) 0.4202(3) 0.0259(7) Uani 1 1 d . . . . .
H53A H 0.1456 0.5447 0.4666 0.039 Uiso 1 1 calc GR . . . .
H53B H 0.1858 0.5751 0.3647 0.039 Uiso 1 1 calc GR . . . .
H53C H 0.0398 0.5736 0.3690 0.039 Uiso 1 1 calc GR . . . .
C55 C -0.0950(3) 0.58912(10) 0.6033(3) 0.0156(6) Uani 1 1 d . . . . .
C57 C -0.1737(3) 0.62585(11) 0.5153(3) 0.0253(7) Uani 1 1 d . . . . .
H57A H -0.1471 0.6549 0.5524 0.038 Uiso 1 1 calc GR . . . .
H57B H -0.2652 0.6216 0.5066 0.038 Uiso 1 1 calc GR . . . .
H57C H -0.1581 0.6240 0.4316 0.038 Uiso 1 1 calc GR . . . .
C56 C -0.1222(3) 0.54334(11) 0.5342(3) 0.0233(7) Uani 1 1 d . . . . .
H56A H -0.0971 0.5446 0.4550 0.035 Uiso 1 1 calc GR . . . .
H56B H -0.2137 0.5365 0.5152 0.035 Uiso 1 1 calc GR . . . .
H56C H -0.0726 0.5203 0.5890 0.035 Uiso 1 1 calc GR . . . .
C58 C -0.1411(3) 0.58602(11) 0.7270(3) 0.0227(7) Uani 1 1 d . . . . .
H58A H -0.0913 0.5634 0.7832 0.034 Uiso 1 1 calc GR . . . .
H58B H -0.2322 0.5782 0.7043 0.034 Uiso 1 1 calc GR . . . .
H58C H -0.1286 0.6146 0.7705 0.034 Uiso 1 1 calc GR . . . .
F1 F 0.9188(2) 0.32913(9) 0.7325(2) 0.0546(7) Uani 1 1 d . . . . .
F2 F 0.8011(2) 0.32906(10) 0.8755(3) 0.0566(7) Uani 1 1 d . . . . .
F3 F 1.0152(3) 0.31166(8) 0.9423(3) 0.0640(8) Uani 1 1 d . . . . .
F4 F 0.9531(2) 0.38363(8) 0.8862(2) 0.0468(6) Uani 1 1 d . . . . .
B1 B 0.9229(4) 0.33846(14) 0.8592(4) 0.0350(10) Uani 1 1 d . . . . .
F5 F 0.58378(19) 0.54702(7) 0.31753(19) 0.0346(5) Uani 1 1 d . . . . .
F6 F 0.3951(2) 0.51874(7) 0.3469(2) 0.0400(5) Uani 1 1 d . . . . .
F7 F 0.5363(2) 0.55688(8) 0.50879(19) 0.0383(5) Uani 1 1 d . . . . .
F8 F 0.42045(19) 0.59446(7) 0.32690(19) 0.0288(4) Uani 1 1 d . . . . .
B2 B 0.4835(4) 0.55451(13) 0.3757(3) 0.0239(7) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
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
P1 Rh1 P2 72.84(3) . .
C26 Rh1 P1 100.59(8) . .
C26 Rh1 P2 157.85(8) . .
C26 Rh1 C27 35.49(12) . .
C26 Rh1 C30 95.33(11) . .
C26 Rh1 C31 80.10(12) . .
C27 Rh1 P1 97.58(9) . .
C27 Rh1 P2 163.31(9) . .
C27 Rh1 C31 86.73(12) . .
C30 Rh1 P1 150.37(10) . .
C30 Rh1 P2 100.28(9) . .
C30 Rh1 C27 81.19(12) . .
C30 Rh1 C31 35.02(13) . .
C31 Rh1 P1 173.51(9) . .
C31 Rh1 P2 104.10(9) . .
C5 P1 Rh1 128.55(10) . .
C2 P1 Rh1 124.01(10) . .
C2 P1 C5 93.52(13) . .
C1 P1 Rh1 96.26(9) . .
C1 P1 C5 106.77(13) . .
C1 P1 C2 105.50(13) . .
C1 P2 Rh1 94.93(9) . .
C1 P2 C18 104.58(13) . .
C1 P2 C22 105.76(13) . .
C18 P2 Rh1 122.47(9) . .
C22 P2 Rh1 112.91(10) . .
C22 P2 C18 112.64(13) . .
Rh1 C26 H26 89.6 . .
C27 C26 Rh1 73.34(17) . .
C27 C26 H26 116.3 . .
C27 C26 C33 127.4(3) . .
C33 C26 Rh1 107.0(2) . .
C33 C26 H26 116.3 . .
Rh1 C27 H27 89.9 . .
C26 C27 Rh1 71.17(17) . .
C26 C27 H27 117.1 . .
C26 C27 C28 125.7(3) . .
C28 C27 Rh1 108.9(2) . .
C28 C27 H27 117.1 . .
C27 C28 H28A 108.9 . .
C27 C28 H28B 108.9 . .
C27 C28 C29 113.4(3) . .
H28A C28 H28B 107.7 . .
C29 C28 H28A 108.9 . .
C29 C28 H28B 108.9 . .
C28 C29 H29A 108.6 . .
C28 C29 H29B 108.6 . .
H29A C29 H29B 107.6 . .
C30 C29 C28 114.8(3) . .
C30 C29 H29A 108.6 . .
C30 C29 H29B 108.6 . .
Rh1 C30 H30 92.8 . .
C29 C30 Rh1 103.1(2) . .
C29 C30 H30 115.8 . .
C31 C30 Rh1 74.34(18) . .
C31 C30 C29 128.3(3) . .
C31 C30 H30 115.8 . .
Rh1 C31 H31 89.3 . .
C30 C31 Rh1 70.64(18) . .
C30 C31 H31 116.8 . .
C30 C31 C32 126.4(3) . .
C32 C31 Rh1 110.0(2) . .
C32 C31 H31 116.8 . .
C31 C32 H32A 108.8 . .
C31 C32 H32B 108.8 . .
C31 C32 C33 113.7(3) . .
H32A C32 H32B 107.7 . .
C33 C32 H32A 108.8 . .
C33 C32 H32B 108.8 . .
C26 C33 C32 114.6(3) . .
C26 C33 H33A 108.6 . .
C26 C33 H33B 108.6 . .
C32 C33 H33A 108.6 . .
C32 C33 H33B 108.6 . .
H33A C33 H33B 107.6 . .
C13 C12 C17 118.2(3) . .
C13 C12 C5 122.0(3) . .
C17 C12 C5 119.7(3) . .
C12 C13 H13 119.5 . .
C14 C13 C12 121.0(3) . .
C14 C13 H13 119.5 . .
C13 C14 H14 120.1 . .
C15 C14 C13 119.8(3) . .
C15 C14 H14 120.1 . .
C14 C15 H15 120.1 . .
C14 C15 C16 119.8(3) . .
C16 C15 H15 120.1 . .
C15 C16 H16 119.8 . .
C17 C16 C15 120.4(3) . .
C17 C16 H16 119.8 . .
C12 C17 H17 119.6 . .
C16 C17 C12 120.7(3) . .
C16 C17 H17 119.6 . .
P1 C5 H5 107.9 . .
C12 C5 P1 112.3(2) . .
C12 C5 H5 107.9 . .
C12 C5 C4 115.3(3) . .
C4 C5 P1 105.21(19) . .
C4 C5 H5 107.9 . .
C5 C4 H4A 109.5 . .
C5 C4 H4B 109.5 . .
H4A C4 H4B 108.1 . .
C3 C4 C5 110.7(2) . .
C3 C4 H4A 109.5 . .
C3 C4 H4B 109.5 . .
C4 C3 H3A 110.4 . .
C4 C3 H3B 110.4 . .
C4 C3 C2 106.6(3) . .
H3A C3 H3B 108.6 . .
C2 C3 H3A 110.4 . .
C2 C3 H3B 110.4 . .
P1 C2 H2 107.7 . .
C3 C2 P1 101.3(2) . .
C3 C2 H2 107.7 . .
C6 C2 P1 113.86(19) . .
C6 C2 C3 118.1(3) . .
C6 C2 H2 107.7 . .
C7 C6 C2 122.6(3) . .
C11 C6 C2 119.2(3) . .
C11 C6 C7 118.2(3) . .
C6 C7 H7 119.9 . .
C8 C7 C6 120.2(3) . .
C8 C7 H7 119.9 . .
C7 C8 H8 119.5 . .
C9 C8 C7 120.9(3) . .
C9 C8 H8 119.5 . .
C8 C9 H9 120.2 . .
C8 C9 C10 119.6(3) . .
C10 C9 H9 120.2 . .
C9 C10 H10 120.1 . .
C9 C10 C11 119.8(3) . .
C11 C10 H10 120.1 . .
C6 C11 H11 119.4 . .
C10 C11 C6 121.3(3) . .
C10 C11 H11 119.4 . .
P1 C1 P2 95.68(13) . .
P1 C1 H1A 112.6 . .
P1 C1 H1B 112.6 . .
P2 C1 H1A 112.6 . .
P2 C1 H1B 112.6 . .
H1A C1 H1B 110.1 . .
C19 C18 P2 106.7(2) . .
C20 C18 P2 112.9(2) . .
C20 C18 C19 107.8(3) . .
C20 C18 C21 109.0(2) . .
C21 C18 P2 111.4(2) . .
C21 C18 C19 108.9(2) . .
C18 C19 H19A 109.5 . .
C18 C19 H19B 109.5 . .
C18 C19 H19C 109.5 . .
H19A C19 H19B 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C18 C20 H20A 109.5 . .
C18 C20 H20B 109.5 . .
C18 C20 H20C 109.5 . .
H20A C20 H20B 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C18 C21 H21A 109.5 . .
C18 C21 H21B 109.5 . .
C18 C21 H21C 109.5 . .
H21A C21 H21B 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C23 C22 P2 113.6(2) . .
C23 C22 C25 108.9(3) . .
C23 C22 C24 109.8(3) . .
C25 C22 P2 106.1(2) . .
C24 C22 P2 110.9(2) . .
C24 C22 C25 107.3(3) . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23B 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C22 C25 H25A 109.5 . .
C22 C25 H25B 109.5 . .
C22 C25 H25C 109.5 . .
H25A C25 H25B 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C22 C24 H24A 109.5 . .
C22 C24 H24B 109.5 . .
C22 C24 H24C 109.5 . .
H24A C24 H24B 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
P3 Rh2 P4 72.53(3) . .
C59 Rh2 P3 100.97(9) . .
C59 Rh2 P4 158.17(9) . .
C59 Rh2 C60 35.34(13) . .
C59 Rh2 C63 93.94(12) . .
C59 Rh2 C64 80.15(12) . .
C60 Rh2 P3 96.94(8) . .
C60 Rh2 P4 162.73(9) . .
C60 Rh2 C64 87.81(13) . .
C63 Rh2 P3 150.59(11) . .
C63 Rh2 P4 101.52(9) . .
C63 Rh2 C60 80.79(12) . .
C63 Rh2 C64 34.95(15) . .
C64 Rh2 P3 173.25(12) . .
C64 Rh2 P4 103.96(9) . .
C35 P3 Rh2 128.60(10) . .
C38 P3 Rh2 123.34(9) . .
C38 P3 C35 93.68(13) . .
C34 P3 Rh2 96.69(9) . .
C34 P3 C35 106.84(13) . .
C34 P3 C38 105.55(13) . .
C34 P4 Rh2 94.62(9) . .
C34 P4 C51 104.54(13) . .
C34 P4 C55 105.10(13) . .
C51 P4 Rh2 112.53(10) . .
C55 P4 Rh2 122.80(10) . .
C55 P4 C51 113.25(13) . .
H66A C66 H66B 107.5 . .
C59 C66 H66A 108.4 . .
C59 C66 H66B 108.4 . .
C59 C66 C65 115.5(3) . .
C65 C66 H66A 108.4 . .
C65 C66 H66B 108.4 . .
Rh2 C59 H59 88.7 . .
C66 C59 Rh2 107.8(2) . .
C66 C59 H59 116.5 . .
C60 C59 Rh2 73.40(18) . .
C60 C59 C66 127.0(3) . .
C60 C59 H59 116.5 . .
Rh2 C60 H60 88.8 . .
C59 C60 Rh2 71.27(19) . .
C59 C60 H60 117.7 . .
C59 C60 C61 124.5(3) . .
C61 C60 Rh2 109.9(2) . .
C61 C60 H60 117.7 . .
C60 C61 H61A 108.6 . .
C60 C61 H61B 108.6 . .
H61A C61 H61B 107.6 . .
C62 C61 C60 114.6(3) . .
C62 C61 H61A 108.6 . .
C62 C61 H61B 108.6 . .
C61 C62 H62A 108.4 . .
C61 C62 H62B 108.4 . .
C61 C62 C63 115.3(3) . .
H62A C62 H62B 107.5 . .
C63 C62 H62A 108.4 . .
C63 C62 H62B 108.4 . .
Rh2 C63 H63 90.8 . .
C62 C63 Rh2 105.2(2) . .
C62 C63 H63 115.7 . .
C64 C63 Rh2 74.0(2) . .
C64 C63 C62 128.6(3) . .
C64 C63 H63 115.7 . .
Rh2 C64 H64 88.3 . .
C63 C64 Rh2 71.01(19) . .
C63 C64 H64 118.4 . .
C63 C64 C65 123.2(4) . .
C65 C64 Rh2 110.7(2) . .
C65 C64 H64 118.4 . .
C66 C65 C64 113.8(3) . .
C66 C65 H65A 108.8 . .
C66 C65 H65B 108.8 . .
C64 C65 H65A 108.8 . .
C64 C65 H65B 108.8 . .
H65A C65 H65B 107.7 . .
C40 C39 C35 121.6(3) . .
C44 C39 C40 118.1(3) . .
C44 C39 C35 120.3(3) . .
C39 C40 H40 119.7 . .
C41 C40 C39 120.6(3) . .
C41 C40 H40 119.7 . .
C40 C41 H41 119.7 . .
C42 C41 C40 120.6(3) . .
C42 C41 H41 119.7 . .
C41 C42 H42 120.3 . .
C41 C42 C43 119.4(3) . .
C43 C42 H42 120.3 . .
C42 C43 H43 119.9 . .
C42 C43 C44 120.1(3) . .
C44 C43 H43 119.9 . .
C39 C44 H44 119.4 . .
C43 C44 C39 121.3(3) . .
C43 C44 H44 119.4 . .
P3 C35 H35 108.2 . .
C39 C35 P3 111.85(19) . .
C39 C35 H35 108.2 . .
C39 C35 C36 115.0(2) . .
C36 C35 P3 105.17(19) . .
C36 C35 H35 108.2 . .
C35 C36 H36A 109.5 . .
C35 C36 H36B 109.5 . .
H36A C36 H36B 108.1 . .
C37 C36 C35 110.8(2) . .
C37 C36 H36A 109.5 . .
C37 C36 H36B 109.5 . .
C36 C37 H37A 110.1 . .
C36 C37 H37B 110.1 . .
C36 C37 C38 108.0(2) . .
H37A C37 H37B 108.4 . .
C38 C37 H37A 110.1 . .
C38 C37 H37B 110.1 . .
P3 C38 H38 107.7 . .
C37 C38 P3 101.81(19) . .
C37 C38 H38 107.7 . .
C45 C38 P3 114.05(19) . .
C45 C38 C37 117.4(2) . .
C45 C38 H38 107.7 . .
C46 C45 C38 119.1(3) . .
C50 C45 C38 122.3(3) . .
C50 C45 C46 118.6(3) . .
C45 C46 H46 119.7 . .
C47 C46 C45 120.5(3) . .
C47 C46 H46 119.7 . .
C46 C47 H47 119.9 . .
C48 C47 C46 120.3(3) . .
C48 C47 H47 119.9 . .
C47 C48 H48 120.2 . .
C49 C48 C47 119.6(3) . .
C49 C48 H48 120.2 . .
C48 C49 H49 119.9 . .
C48 C49 C50 120.2(3) . .
C50 C49 H49 119.9 . .
C45 C50 C49 120.8(3) . .
C45 C50 H50 119.6 . .
C49 C50 H50 119.6 . .
P3 C34 P4 95.61(13) . .
P3 C34 H34A 112.6 . .
P3 C34 H34B 112.6 . .
P4 C34 H34A 112.6 . .
P4 C34 H34B 112.6 . .
H34A C34 H34B 110.1 . .
C52 C51 P4 105.3(2) . .
C54 C51 P4 111.3(2) . .
C54 C51 C52 107.2(3) . .
C53 C51 P4 114.0(2) . .
C53 C51 C52 108.8(3) . .
C53 C51 C54 109.9(3) . .
C51 C52 H52A 109.5 . .
C51 C52 H52B 109.5 . .
C51 C52 H52C 109.5 . .
H52A C52 H52B 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C51 C54 H54A 109.5 . .
C51 C54 H54B 109.5 . .
C51 C54 H54C 109.5 . .
H54A C54 H54B 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
C51 C53 H53A 109.5 . .
C51 C53 H53B 109.5 . .
C51 C53 H53C 109.5 . .
H53A C53 H53B 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
C57 C55 P4 110.7(2) . .
C57 C55 C56 109.4(2) . .
C57 C55 C58 109.1(3) . .
C56 C55 P4 113.1(2) . .
C56 C55 C58 107.6(2) . .
C58 C55 P4 106.93(19) . .
C55 C57 H57A 109.5 . .
C55 C57 H57B 109.5 . .
C55 C57 H57C 109.5 . .
H57A C57 H57B 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
C55 C56 H56A 109.5 . .
C55 C56 H56B 109.5 . .
C55 C56 H56C 109.5 . .
H56A C56 H56B 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
C55 C58 H58A 109.5 . .
C55 C58 H58B 109.5 . .
C55 C58 H58C 109.5 . .
H58A C58 H58B 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
F1 B1 F2 108.0(3) . .
F1 B1 F3 110.3(4) . .
F1 B1 F4 110.0(3) . .
F2 B1 F3 109.0(3) . .
F2 B1 F4 109.8(4) . .
F3 B1 F4 109.7(3) . .
F6 B2 F5 109.3(3) . .
F7 B2 F5 109.1(3) . .
F7 B2 F6 108.9(3) . .
F7 B2 F8 111.2(3) . .
F8 B2 F5 108.3(3) . .
F8 B2 F6 109.8(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 P1 2.2839(7) .
Rh1 P2 2.3198(7) .
Rh1 C26 2.228(3) .
Rh1 C27 2.255(3) .
Rh1 C30 2.235(3) .
Rh1 C31 2.281(3) .
P1 C5 1.872(3) .
P1 C2 1.866(3) .
P1 C1 1.841(3) .
P2 C1 1.846(3) .
P2 C18 1.882(3) .
P2 C22 1.880(3) .
C26 H26 0.9300 .
C26 C27 1.367(5) .
C26 C33 1.500(5) .
C27 H27 0.9300 .
C27 C28 1.506(5) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C28 C29 1.524(5) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C29 C30 1.497(5) .
C30 H30 0.9300 .
C30 C31 1.359(5) .
C31 H31 0.9300 .
C31 C32 1.519(5) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C32 C33 1.529(5) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C12 C13 1.395(4) .
C12 C17 1.396(4) .
C12 C5 1.506(4) .
C13 H13 0.9300 .
C13 C14 1.391(5) .
C14 H14 0.9300 .
C14 C15 1.382(5) .
C15 H15 0.9300 .
C15 C16 1.385(5) .
C16 H16 0.9300 .
C16 C17 1.382(5) .
C17 H17 0.9300 .
C5 H5 0.9800 .
C5 C4 1.557(4) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C4 C3 1.534(4) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C3 C2 1.534(4) .
C2 H2 0.9800 .
C2 C6 1.511(4) .
C6 C7 1.397(4) .
C6 C11 1.395(4) .
C7 H7 0.9300 .
C7 C8 1.392(4) .
C8 H8 0.9300 .
C8 C9 1.377(5) .
C9 H9 0.9300 .
C9 C10 1.386(5) .
C10 H10 0.9300 .
C10 C11 1.389(4) .
C11 H11 0.9300 .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C18 C19 1.537(4) .
C18 C20 1.531(4) .
C18 C21 1.533(4) .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 C23 1.530(4) .
C22 C25 1.539(5) .
C22 C24 1.531(4) .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
Rh2 P3 2.2853(7) .
Rh2 P4 2.3433(8) .
Rh2 C59 2.218(3) .
Rh2 C60 2.244(3) .
Rh2 C63 2.229(3) .
Rh2 C64 2.266(3) .
P3 C35 1.882(3) .
P3 C38 1.856(3) .
P3 C34 1.846(3) .
P4 C34 1.850(3) .
P4 C51 1.879(3) .
P4 C55 1.870(3) .
C66 H66A 0.9700 .
C66 H66B 0.9700 .
C66 C59 1.505(5) .
C66 C65 1.513(6) .
C59 H59 0.9300 .
C59 C60 1.354(5) .
C60 H60 0.9300 .
C60 C61 1.513(5) .
C61 H61A 0.9700 .
C61 H61B 0.9700 .
C61 C62 1.497(5) .
C62 H62A 0.9700 .
C62 H62B 0.9700 .
C62 C63 1.516(5) .
C63 H63 0.9300 .
C63 C64 1.350(6) .
C64 H64 0.9300 .
C64 C65 1.516(5) .
C65 H65A 0.9700 .
C65 H65B 0.9700 .
C39 C40 1.399(4) .
C39 C44 1.395(4) .
C39 C35 1.514(4) .
C40 H40 0.9300 .
C40 C41 1.393(4) .
C41 H41 0.9300 .
C41 C42 1.385(5) .
C42 H42 0.9300 .
C42 C43 1.386(5) .
C43 H43 0.9300 .
C43 C44 1.389(4) .
C44 H44 0.9300 .
C35 H35 0.9800 .
C35 C36 1.559(4) .
C36 H36A 0.9700 .
C36 H36B 0.9700 .
C36 C37 1.529(4) .
C37 H37A 0.9700 .
C37 H37B 0.9700 .
C37 C38 1.532(4) .
C38 H38 0.9800 .
C38 C45 1.516(4) .
C45 C46 1.395(4) .
C45 C50 1.390(4) .
C46 H46 0.9300 .
C46 C47 1.393(4) .
C47 H47 0.9300 .
C47 C48 1.384(5) .
C48 H48 0.9300 .
C48 C49 1.384(5) .
C49 H49 0.9300 .
C49 C50 1.393(4) .
C50 H50 0.9300 .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C51 C52 1.538(4) .
C51 C54 1.536(5) .
C51 C53 1.526(4) .
C52 H52A 0.9600 .
C52 H52B 0.9600 .
C52 H52C 0.9600 .
C54 H54A 0.9600 .
C54 H54B 0.9600 .
C54 H54C 0.9600 .
C53 H53A 0.9600 .
C53 H53B 0.9600 .
C53 H53C 0.9600 .
C55 C57 1.532(4) .
C55 C56 1.537(4) .
C55 C58 1.542(4) .
C57 H57A 0.9600 .
C57 H57B 0.9600 .
C57 H57C 0.9600 .
C56 H56A 0.9600 .
C56 H56B 0.9600 .
C56 H56C 0.9600 .
C58 H58A 0.9600 .
C58 H58B 0.9600 .
C58 H58C 0.9600 .
F1 B1 1.380(5) .
F2 B1 1.382(5) .
F3 B1 1.383(4) .
F4 B1 1.390(5) .
F5 B2 1.395(4) .
F6 B2 1.394(4) .
F7 B2 1.388(4) .
F8 B2 1.392(4) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Rh1 P1 C5 C12 28.6(3) . . . .
Rh1 P1 C5 C4 154.65(17) . . . .
Rh1 P1 C2 C3 -179.42(15) . . . .
Rh1 P1 C2 C6 52.7(2) . . . .
Rh1 P1 C1 P2 4.49(11) . . . .
Rh1 P2 C1 P1 -4.41(11) . . . .
Rh1 P2 C18 C19 -29.7(2) . . . .
Rh1 P2 C18 C20 -147.90(18) . . . .
Rh1 P2 C18 C21 89.1(2) . . . .
Rh1 P2 C22 C23 168.2(2) . . . .
Rh1 P2 C22 C25 48.6(2) . . . .
Rh1 P2 C22 C24 -67.6(2) . . . .
Rh1 C26 C27 C28 -100.2(3) . . . .
Rh1 C26 C33 C32 42.5(3) . . . .
Rh1 C27 C28 C29 12.4(4) . . . .
Rh1 C30 C31 C32 -101.1(3) . . . .
Rh1 C31 C32 C33 11.8(4) . . . .
P1 C5 C4 C3 12.2(3) . . . .
P1 C2 C6 C7 91.7(3) . . . .
P1 C2 C6 C11 -85.6(3) . . . .
C26 C27 C28 C29 92.3(4) . . . .
C27 C26 C33 C32 -39.3(5) . . . .
C27 C28 C29 C30 -42.3(4) . . . .
C28 C29 C30 Rh1 47.4(3) . . . .
C28 C29 C30 C31 -32.9(5) . . . .
C29 C30 C31 Rh1 94.5(3) . . . .
C29 C30 C31 C32 -6.5(5) . . . .
C30 C31 C32 C33 92.0(4) . . . .
C31 C32 C33 C26 -37.3(4) . . . .
C33 C26 C27 Rh1 99.0(3) . . . .
C33 C26 C27 C28 -1.2(5) . . . .
C12 C13 C14 C15 0.7(5) . . . .
C12 C5 C4 C3 136.4(3) . . . .
C13 C12 C17 C16 -1.3(4) . . . .
C13 C12 C5 P1 78.4(3) . . . .
C13 C12 C5 C4 -42.1(4) . . . .
C13 C14 C15 C16 -0.2(5) . . . .
C14 C15 C16 C17 -1.1(5) . . . .
C15 C16 C17 C12 1.8(5) . . . .
C17 C12 C13 C14 0.1(4) . . . .
C17 C12 C5 P1 -99.4(3) . . . .
C17 C12 C5 C4 140.2(3) . . . .
C5 P1 C2 C3 -36.8(2) . . . .
C5 P1 C2 C6 -164.6(2) . . . .
C5 P1 C1 P2 -128.97(13) . . . .
C5 C12 C13 C14 -177.7(3) . . . .
C5 C12 C17 C16 176.5(3) . . . .
C5 C4 C3 C2 -41.2(4) . . . .
C4 C3 C2 P1 49.1(3) . . . .
C4 C3 C2 C6 174.2(3) . . . .
C3 C2 C6 C7 -27.0(4) . . . .
C3 C2 C6 C11 155.8(3) . . . .
C2 P1 C5 C12 -111.4(2) . . . .
C2 P1 C5 C4 14.7(2) . . . .
C2 P1 C1 P2 132.40(13) . . . .
C2 C6 C7 C8 -174.4(3) . . . .
C2 C6 C11 C10 175.3(3) . . . .
C6 C7 C8 C9 -1.6(5) . . . .
C7 C6 C11 C10 -2.1(4) . . . .
C7 C8 C9 C10 -0.4(5) . . . .
C8 C9 C10 C11 1.2(5) . . . .
C9 C10 C11 C6 0.1(4) . . . .
C11 C6 C7 C8 2.9(4) . . . .
C1 P1 C5 C12 141.3(2) . . . .
C1 P1 C5 C4 -92.7(2) . . . .
C1 P1 C2 C3 71.7(2) . . . .
C1 P1 C2 C6 -56.2(2) . . . .
C1 P2 C18 C19 76.0(2) . . . .
C1 P2 C18 C20 -42.2(2) . . . .
C1 P2 C18 C21 -165.2(2) . . . .
C1 P2 C22 C23 65.7(3) . . . .
C1 P2 C22 C25 -53.9(2) . . . .
C1 P2 C22 C24 -170.1(2) . . . .
C18 P2 C1 P1 -129.80(13) . . . .
C18 P2 C22 C23 -48.0(3) . . . .
C18 P2 C22 C25 -167.5(2) . . . .
C18 P2 C22 C24 76.3(3) . . . .
C22 P2 C1 P1 111.08(14) . . . .
C22 P2 C18 C19 -169.60(19) . . . .
C22 P2 C18 C20 72.2(2) . . . .
C22 P2 C18 C21 -50.8(2) . . . .
Rh2 P3 C35 C39 29.2(3) . . . .
Rh2 P3 C35 C36 154.62(14) . . . .
Rh2 P3 C38 C37 -178.09(14) . . . .
Rh2 P3 C38 C45 54.5(2) . . . .
Rh2 P3 C34 P4 6.28(11) . . . .
Rh2 P4 C34 P3 -6.10(11) . . . .
Rh2 P4 C51 C52 44.6(2) . . . .
Rh2 P4 C51 C54 -71.3(2) . . . .
Rh2 P4 C51 C53 163.8(2) . . . .
Rh2 P4 C55 C57 81.8(2) . . . .
Rh2 P4 C55 C56 -155.11(18) . . . .
Rh2 P4 C55 C58 -36.9(2) . . . .
Rh2 C59 C60 C61 -101.7(3) . . . .
Rh2 C60 C61 C62 9.3(4) . . . .
Rh2 C63 C64 C65 -102.8(3) . . . .
Rh2 C64 C65 C66 11.0(5) . . . .
P3 C35 C36 C37 9.9(3) . . . .
P3 C38 C45 C46 -80.2(3) . . . .
P3 C38 C45 C50 98.9(3) . . . .
C66 C59 C60 Rh2 100.0(3) . . . .
C66 C59 C60 C61 -1.7(5) . . . .
C59 C66 C65 C64 -34.1(6) . . . .
C59 C60 C61 C62 89.7(4) . . . .
C60 C61 C62 C63 -35.7(5) . . . .
C61 C62 C63 Rh2 41.9(4) . . . .
C61 C62 C63 C64 -39.6(5) . . . .
C62 C63 C64 Rh2 96.9(3) . . . .
C62 C63 C64 C65 -5.9(6) . . . .
C63 C64 C65 C66 91.3(5) . . . .
C65 C66 C59 Rh2 38.9(4) . . . .
C65 C66 C59 C60 -43.3(5) . . . .
C39 C40 C41 C42 0.4(5) . . . .
C39 C35 C36 C37 133.4(3) . . . .
C40 C39 C44 C43 -1.3(4) . . . .
C40 C39 C35 P3 78.5(3) . . . .
C40 C39 C35 C36 -41.3(4) . . . .
C40 C41 C42 C43 -1.0(5) . . . .
C41 C42 C43 C44 0.5(5) . . . .
C42 C43 C44 C39 0.7(5) . . . .
C44 C39 C40 C41 0.8(4) . . . .
C44 C39 C35 P3 -99.0(3) . . . .
C44 C39 C35 C36 141.1(3) . . . .
C35 P3 C38 C37 -35.84(19) . . . .
C35 P3 C38 C45 -163.3(2) . . . .
C35 P3 C34 P4 -127.50(13) . . . .
C35 C39 C40 C41 -176.8(3) . . . .
C35 C39 C44 C43 176.3(3) . . . .
C35 C36 C37 C38 -38.2(3) . . . .
C36 C37 C38 P3 47.2(2) . . . .
C36 C37 C38 C45 172.5(2) . . . .
C37 C38 C45 C46 160.9(3) . . . .
C37 C38 C45 C50 -20.1(4) . . . .
C38 P3 C35 C39 -109.9(2) . . . .
C38 P3 C35 C36 15.5(2) . . . .
C38 P3 C34 P4 133.65(13) . . . .
C38 C45 C46 C47 178.9(3) . . . .
C38 C45 C50 C49 -179.7(3) . . . .
C45 C46 C47 C48 0.7(5) . . . .
C46 C45 C50 C49 -0.7(4) . . . .
C46 C47 C48 C49 -0.5(5) . . . .
C47 C48 C49 C50 -0.3(5) . . . .
C48 C49 C50 C45 0.9(5) . . . .
C50 C45 C46 C47 -0.1(4) . . . .
C34 P3 C35 C39 142.6(2) . . . .
C34 P3 C35 C36 -92.0(2) . . . .
C34 P3 C38 C37 72.8(2) . . . .
C34 P3 C38 C45 -54.6(2) . . . .
C34 P4 C51 C52 -56.9(2) . . . .
C34 P4 C51 C54 -172.7(2) . . . .
C34 P4 C51 C53 62.4(2) . . . .
C34 P4 C55 C57 -172.3(2) . . . .
C34 P4 C55 C56 -49.3(2) . . . .
C34 P4 C55 C58 69.0(2) . . . .
C51 P4 C34 P3 108.62(14) . . . .
C51 P4 C55 C57 -58.8(3) . . . .
C51 P4 C55 C56 64.3(2) . . . .
C51 P4 C55 C58 -177.48(19) . . . .
C55 P4 C34 P3 -131.88(13) . . . .
C55 P4 C51 C52 -170.7(2) . . . .
C55 P4 C51 C54 73.5(3) . . . .
C55 P4 C51 C53 -51.5(3) . . . .
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 1.018(13)
2 -0.018(13)
