#------------------------------------------------------------------------------
#$Date: 2023-02-23 10:51:21 +0200 (Thu, 23 Feb 2023) $
#$Revision: 281104 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/23/7712378.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_7712378
loop_
_publ_author_name
'González Alférez, Macarena'
'Moreno, Juan J.'
'Maya, Celia'
'Campos, Jesús'
_publ_section_title
;
 Polarized Au(I)/Rh(I) Bimetallic Pairs Cooperatively Trigger Ligand
 non-Innocence and Bond Activation
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT00410D
_journal_year                    2023
_chemical_formula_moiety         'C35 H31 P2 Rh'
_chemical_formula_sum            'C35 H31 P2 Rh'
_chemical_formula_weight         616.45
_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
_atom_sites_solution_primary     iterative
_audit_creation_date             2022-11-18
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2023-02-21 deposited with the CCDC.	2023-02-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.2885(12)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.2418(4)
_cell_length_b                   8.9282(4)
_cell_length_c                   33.9326(13)
_cell_measurement_reflns_used    9949
_cell_measurement_temperature    193.0
_cell_measurement_theta_max      27.08
_cell_measurement_theta_min      2.36
_cell_volume                     2783.0(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      193.0
_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_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0450
_diffrn_reflns_av_unetI/netI     0.0315
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            40098
_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         27.137
_diffrn_reflns_theta_min         2.233
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.752
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6363
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0984 before and 0.0555 after correction.
The Ratio of minimum to maximum transmission is 0.8535.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.471
_exptl_crystal_description       prism
_exptl_crystal_F_000             1264
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.419
_refine_diff_density_min         -0.354
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         6171
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.110
_refine_ls_R_factor_all          0.0431
_refine_ls_R_factor_gt           0.0318
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0119P)²+3.1028P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0576
_refine_ls_wR_factor_ref         0.0620
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5242
_reflns_number_total             6171
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt00410d3.cif
_cod_data_source_block           6c
_cod_database_code               7712378
_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_max   0.050
_shelx_estimated_absorpt_t_min   0.021
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C12(H12A,H12B), C18(H18A,H18B)
2.b Aromatic/amide H refined with riding coordinates:
 C10(H10), C28(H28), C17(H17), C1(H1), C2(H2), C9(H9), C7(H7), C13(H13),
 C14(H14), C15(H15), C16(H16), C6(H6), C19(H19), C20(H20), C21(H21), C23(H23),
 C24(H24), C25(H25), C26(H26), C27(H27), C3(H3), C31(H31), C8(H8), C34(H34),
 C35(H35), C32(H32), C30(H30)
;
_olex2_submission_special_instructions 'No special instructions were received'
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 0.69957(2) 0.31791(2) 0.61475(2) 0.01887(5) Uani 1 1 d . . . . .
P2 P 0.80960(7) 0.43674(7) 0.56992(2) 0.01855(13) Uani 1 1 d . . . . .
P1 P 0.92285(7) 0.25849(7) 0.64101(2) 0.01932(13) Uani 1 1 d . . . . .
C29 C 0.9888(3) 0.3492(3) 0.68823(7) 0.0218(5) Uani 1 1 d . . . . .
C33 C 0.7615(2) 0.6305(3) 0.55644(7) 0.0207(5) Uani 1 1 d . . . . .
C11 C 0.7944(3) 0.3424(2) 0.52173(7) 0.0198(5) Uani 1 1 d . . . . .
C5 C 0.5104(3) 0.3289(3) 0.66113(7) 0.0286(6) Uani 1 1 d . . . . .
C10 C 0.6571(3) 0.3279(3) 0.50081(7) 0.0248(5) Uani 1 1 d . . . . .
H10 H 0.575346 0.371134 0.511230 0.030 Uiso 1 1 calc R U . . .
C28 C 0.7410(3) 0.6829(3) 0.51749(7) 0.0234(5) Uani 1 1 d . . . . .
H28 H 0.744570 0.614781 0.496112 0.028 Uiso 1 1 calc R U . . .
C17 C 0.7282(3) 0.8834(3) 0.57914(8) 0.0320(6) Uani 1 1 d . . . . .
H17 H 0.723927 0.952392 0.600302 0.038 Uiso 1 1 calc R U . . .
C1 C 0.5238(3) 0.1853(3) 0.64219(8) 0.0322(6) Uani 1 1 d . . . . .
H1 H 0.554182 0.094578 0.655211 0.039 Uiso 1 1 calc R U . . .
C12 C 1.0062(2) 0.4535(3) 0.58532(7) 0.0225(5) Uani 1 1 d . . . . .
H12A H 1.059154 0.467335 0.561744 0.027 Uiso 1 1 calc R U . . .
H12B H 1.025343 0.541584 0.602827 0.027 Uiso 1 1 calc R U . . .
C2 C 0.4842(3) 0.2026(3) 0.60121(8) 0.0341(6) Uani 1 1 d . . . . .
H2 H 0.471505 0.123960 0.582281 0.041 Uiso 1 1 calc R U . . .
C9 C 0.5240(3) 0.3750(4) 0.70091(8) 0.0357(7) Uani 1 1 d . . . . .
H9 H 0.545231 0.304156 0.721618 0.043 Uiso 1 1 calc R U . . .
C7 C 0.4769(3) 0.6296(4) 0.67948(9) 0.0460(8) Uani 1 1 d . . . . .
H7 H 0.467069 0.732038 0.686258 0.055 Uiso 1 1 calc R U . . .
C13 C 1.1314(3) 0.3380(3) 0.70551(8) 0.0316(6) Uani 1 1 d . . . . .
H13 H 1.200386 0.284109 0.692275 0.038 Uiso 1 1 calc R U . . .
C14 C 0.7101(3) 0.9337(3) 0.54038(8) 0.0332(6) Uani 1 1 d . . . . .
H14 H 0.693854 1.037113 0.534913 0.040 Uiso 1 1 calc R U . . .
C15 C 1.0742(3) 0.4803(3) 0.76162(8) 0.0345(6) Uani 1 1 d . . . . .
H15 H 1.103363 0.524916 0.786651 0.041 Uiso 1 1 calc R U . . .
C16 C 1.1285(3) -0.1525(3) 0.65537(9) 0.0404(7) Uani 1 1 d . . . . .
H16 H 1.214028 -0.199291 0.648113 0.048 Uiso 1 1 calc R U . . .
C6 C 0.4620(3) 0.5880(3) 0.64018(9) 0.0401(7) Uani 1 1 d . . . . .
H6 H 0.442530 0.661142 0.619954 0.048 Uiso 1 1 calc R U . . .
C18 C 1.0588(3) 0.3121(3) 0.60724(7) 0.0239(5) Uani 1 1 d . . . . .
H18A H 1.154442 0.330275 0.622646 0.029 Uiso 1 1 calc R U . . .
H18B H 1.070014 0.230417 0.588091 0.029 Uiso 1 1 calc R U . . .
C19 C 0.8807(3) -0.0161(3) 0.67598(7) 0.0289(6) Uani 1 1 d . . . . .
H19 H 0.794748 0.029894 0.683215 0.035 Uiso 1 1 calc R U . . .
C20 C 1.0977(3) -0.0048(3) 0.64410(8) 0.0330(6) Uani 1 1 d . . . . .
H20 H 1.162711 0.048608 0.629409 0.040 Uiso 1 1 calc R U . . .
C21 C 0.7527(3) 0.7323(3) 0.58729(8) 0.0278(6) Uani 1 1 d . . . . .
H21 H 0.763545 0.698224 0.613979 0.033 Uiso 1 1 calc R U . . .
C22 C 0.9728(3) 0.0646(3) 0.65420(7) 0.0220(5) Uani 1 1 d . . . . .
C23 C 1.1747(3) 0.4043(3) 0.74184(8) 0.0357(7) Uani 1 1 d . . . . .
H23 H 1.273182 0.397544 0.753113 0.043 Uiso 1 1 calc R U . . .
C24 C 0.9322(3) 0.4913(3) 0.74506(8) 0.0337(6) Uani 1 1 d . . . . .
H24 H 0.862908 0.542710 0.758767 0.040 Uiso 1 1 calc R U . . .
C25 C 0.9122(3) -0.1628(3) 0.68735(8) 0.0347(6) Uani 1 1 d . . . . .
H25 H 0.848382 -0.216496 0.702352 0.042 Uiso 1 1 calc R U . . .
C26 C 0.7155(3) 0.8337(3) 0.50974(8) 0.0302(6) Uani 1 1 d . . . . .
H26 H 0.701748 0.868076 0.483101 0.036 Uiso 1 1 calc R U . . .
C27 C 0.9111(3) 0.2757(3) 0.50619(7) 0.0273(6) Uani 1 1 d . . . . .
H27 H 1.005895 0.283600 0.520043 0.033 Uiso 1 1 calc R U . . .
C3 C 0.4666(3) 0.3573(3) 0.59307(7) 0.0308(6) Uani 1 1 d . . . . .
H3 H 0.451352 0.401361 0.567463 0.037 Uiso 1 1 calc R U . . .
C4 C 0.4757(3) 0.4369(3) 0.63034(7) 0.0284(6) Uani 1 1 d . . . . .
C31 C 0.8897(3) 0.4272(3) 0.70830(7) 0.0274(6) Uani 1 1 d . . . . .
H31 H 0.791776 0.436878 0.696786 0.033 Uiso 1 1 calc R U . . .
C8 C 0.5063(3) 0.5235(4) 0.70957(9) 0.0424(7) Uani 1 1 d . . . . .
H8 H 0.514183 0.554717 0.736485 0.051 Uiso 1 1 calc R U . . .
C34 C 0.6372(3) 0.2516(3) 0.46500(7) 0.0287(6) Uani 1 1 d . . . . .
H34 H 0.542948 0.244557 0.450808 0.034 Uiso 1 1 calc R U . . .
C35 C 1.0367(3) -0.2305(3) 0.67678(8) 0.0358(7) Uani 1 1 d . . . . .
H35 H 1.058461 -0.331149 0.684381 0.043 Uiso 1 1 calc R U . . .
C32 C 0.7551(3) 0.1858(3) 0.45008(7) 0.0299(6) Uani 1 1 d . . . . .
H32 H 0.741918 0.132829 0.425672 0.036 Uiso 1 1 calc R U . . .
C30 C 0.8914(3) 0.1972(3) 0.47058(8) 0.0322(6) Uani 1 1 d . . . . .
H30 H 0.972330 0.151371 0.460415 0.039 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'
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
_geom_angle_publ_flag
P2 Rh1 P1 85.00(2) . . ?
P2 Rh1 C5 146.48(7) . . ?
P2 Rh1 C1 159.36(7) . . ?
P2 Rh1 C2 123.25(7) . . ?
P2 Rh1 C3 101.51(7) . . ?
P2 Rh1 C4 114.14(6) . . ?
P1 Rh1 C5 116.33(6) . . ?
P1 Rh1 C1 112.51(7) . . ?
P1 Rh1 C2 137.49(8) . . ?
P1 Rh1 C3 173.32(7) . . ?
P1 Rh1 C4 142.31(6) . . ?
C1 Rh1 C5 35.02(9) . . ?
C1 Rh1 C4 58.65(9) . . ?
C2 Rh1 C5 58.45(9) . . ?
C2 Rh1 C1 36.16(10) . . ?
C2 Rh1 C4 59.27(10) . . ?
C3 Rh1 C5 58.65(9) . . ?
C3 Rh1 C1 60.81(10) . . ?
C3 Rh1 C2 36.91(10) . . ?
C3 Rh1 C4 35.78(9) . . ?
C4 Rh1 C5 33.87(8) . . ?
C33 P2 Rh1 120.78(8) . . ?
C33 P2 C11 102.64(10) . . ?
C33 P2 C12 101.50(11) . . ?
C11 P2 Rh1 113.62(8) . . ?
C11 P2 C12 105.51(11) . . ?
C12 P2 Rh1 111.13(8) . . ?
C29 P1 Rh1 116.69(8) . . ?
C29 P1 C18 104.04(11) . . ?
C18 P1 Rh1 110.67(8) . . ?
C22 P1 Rh1 121.41(8) . . ?
C22 P1 C29 98.79(10) . . ?
C22 P1 C18 103.03(11) . . ?
C13 C29 P1 123.06(19) . . ?
C13 C29 C31 118.5(2) . . ?
C31 C29 P1 118.41(18) . . ?
C28 C33 P2 123.89(18) . . ?
C28 C33 C21 118.6(2) . . ?
C21 C33 P2 117.41(18) . . ?
C10 C11 P2 118.34(18) . . ?
C27 C11 P2 123.42(18) . . ?
C27 C11 C10 118.1(2) . . ?
C1 C5 Rh1 65.29(13) . . ?
C9 C5 Rh1 128.85(18) . . ?
C9 C5 C1 133.2(3) . . ?
C9 C5 C4 119.6(3) . . ?
C4 C5 Rh1 71.37(13) . . ?
C4 C5 C1 107.2(2) . . ?
C11 C10 H10 119.4 . . ?
C34 C10 C11 121.2(2) . . ?
C34 C10 H10 119.4 . . ?
C33 C28 H28 119.7 . . ?
C26 C28 C33 120.5(2) . . ?
C26 C28 H28 119.7 . . ?
C14 C17 H17 119.9 . . ?
C14 C17 C21 120.3(2) . . ?
C21 C17 H17 119.9 . . ?
Rh1 C1 H1 116.3 . . ?
C5 C1 Rh1 79.69(15) . . ?
C5 C1 H1 125.8 . . ?
C2 C1 Rh1 70.15(15) . . ?
C2 C1 C5 108.4(2) . . ?
C2 C1 H1 125.8 . . ?
P2 C12 H12A 109.9 . . ?
P2 C12 H12B 109.9 . . ?
H12A C12 H12B 108.3 . . ?
C18 C12 P2 108.94(16) . . ?
C18 C12 H12A 109.9 . . ?
C18 C12 H12B 109.9 . . ?
Rh1 C2 H2 121.3 . . ?
C1 C2 Rh1 73.69(15) . . ?
C1 C2 H2 125.9 . . ?
C1 C2 C3 108.2(2) . . ?
C3 C2 Rh1 70.87(15) . . ?
C3 C2 H2 125.9 . . ?
C5 C9 H9 120.3 . . ?
C8 C9 C5 119.3(3) . . ?
C8 C9 H9 120.3 . . ?
C6 C7 H7 119.5 . . ?
C6 C7 C8 121.1(3) . . ?
C8 C7 H7 119.5 . . ?
C29 C13 H13 119.6 . . ?
C29 C13 C23 120.9(2) . . ?
C23 C13 H13 119.6 . . ?
C17 C14 H14 120.1 . . ?
C26 C14 C17 119.8(2) . . ?
C26 C14 H14 120.1 . . ?
C23 C15 H15 120.0 . . ?
C24 C15 H15 120.0 . . ?
C24 C15 C23 119.9(3) . . ?
C20 C16 H16 119.7 . . ?
C35 C16 H16 119.7 . . ?
C35 C16 C20 120.5(3) . . ?
C7 C6 H6 120.4 . . ?
C7 C6 C4 119.3(3) . . ?
C4 C6 H6 120.4 . . ?
P1 C18 H18A 110.0 . . ?
P1 C18 H18B 110.0 . . ?
C12 C18 P1 108.41(16) . . ?
C12 C18 H18A 110.0 . . ?
C12 C18 H18B 110.0 . . ?
H18A C18 H18B 108.4 . . ?
C22 C19 H19 119.5 . . ?
C25 C19 H19 119.5 . . ?
C25 C19 C22 121.1(3) . . ?
C16 C20 H20 119.8 . . ?
C22 C20 C16 120.4(3) . . ?
C22 C20 H20 119.8 . . ?
C33 C21 H21 119.9 . . ?
C17 C21 C33 120.3(2) . . ?
C17 C21 H21 119.9 . . ?
C19 C22 P1 117.86(18) . . ?
C20 C22 P1 123.8(2) . . ?
C20 C22 C19 118.4(2) . . ?
C13 C23 H23 120.1 . . ?
C15 C23 C13 119.9(3) . . ?
C15 C23 H23 120.1 . . ?
C15 C24 H24 120.0 . . ?
C15 C24 C31 120.1(3) . . ?
C31 C24 H24 120.0 . . ?
C19 C25 H25 120.1 . . ?
C35 C25 C19 119.8(3) . . ?
C35 C25 H25 120.1 . . ?
C28 C26 H26 119.8 . . ?
C14 C26 C28 120.4(2) . . ?
C14 C26 H26 119.8 . . ?
C11 C27 H27 119.6 . . ?
C11 C27 C30 120.9(2) . . ?
C30 C27 H27 119.6 . . ?
Rh1 C3 H3 114.1 . . ?
C2 C3 Rh1 72.22(15) . . ?
C2 C3 H3 125.8 . . ?
C2 C3 C4 108.4(2) . . ?
C4 C3 Rh1 80.03(15) . . ?
C4 C3 H3 125.8 . . ?
C5 C4 Rh1 74.75(14) . . ?
C5 C4 C3 107.1(2) . . ?
C6 C4 Rh1 125.1(2) . . ?
C6 C4 C5 119.6(2) . . ?
C6 C4 C3 133.2(3) . . ?
C3 C4 Rh1 64.20(13) . . ?
C29 C31 C24 120.7(2) . . ?
C29 C31 H31 119.6 . . ?
C24 C31 H31 119.6 . . ?
C9 C8 C7 121.1(3) . . ?
C9 C8 H8 119.4 . . ?
C7 C8 H8 119.4 . . ?
C10 C34 H34 120.1 . . ?
C32 C34 C10 119.7(2) . . ?
C32 C34 H34 120.1 . . ?
C16 C35 C25 119.9(3) . . ?
C16 C35 H35 120.1 . . ?
C25 C35 H35 120.1 . . ?
C34 C32 H32 120.0 . . ?
C30 C32 C34 119.9(2) . . ?
C30 C32 H32 120.0 . . ?
C27 C30 H30 119.9 . . ?
C32 C30 C27 120.2(2) . . ?
C32 C30 H30 119.9 . . ?
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 P2 2.1937(6) . ?
Rh1 P1 2.2206(6) . ?
Rh1 C5 2.479(2) . ?
Rh1 C1 2.289(3) . ?
Rh1 C2 2.243(3) . ?
Rh1 C3 2.226(2) . ?
Rh1 C4 2.435(2) . ?
P2 C33 1.831(2) . ?
P2 C11 1.831(2) . ?
P2 C12 1.841(2) . ?
P1 C29 1.839(2) . ?
P1 C18 1.854(2) . ?
P1 C22 1.834(2) . ?
C29 C13 1.386(3) . ?
C29 C31 1.386(3) . ?
C33 C28 1.395(3) . ?
C33 C21 1.396(3) . ?
C11 C10 1.391(3) . ?
C11 C27 1.386(3) . ?
C5 C1 1.446(4) . ?
C5 C9 1.404(4) . ?
C5 C4 1.432(4) . ?
C10 H10 0.9500 . ?
C10 C34 1.388(3) . ?
C28 H28 0.9500 . ?
C28 C26 1.387(3) . ?
C17 H17 0.9500 . ?
C17 C14 1.383(4) . ?
C17 C21 1.391(4) . ?
C1 H1 0.9500 . ?
C1 C2 1.407(4) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C18 1.517(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.415(4) . ?
C9 H9 0.9500 . ?
C9 C8 1.371(4) . ?
C7 H7 0.9500 . ?
C7 C6 1.377(4) . ?
C7 C8 1.398(4) . ?
C13 H13 0.9500 . ?
C13 C23 1.387(4) . ?
C14 H14 0.9500 . ?
C14 C26 1.376(4) . ?
C15 H15 0.9500 . ?
C15 C23 1.382(4) . ?
C15 C24 1.374(4) . ?
C16 H16 0.9500 . ?
C16 C20 1.393(4) . ?
C16 C35 1.367(4) . ?
C6 H6 0.9500 . ?
C6 C4 1.399(4) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 H19 0.9500 . ?
C19 C22 1.388(3) . ?
C19 C25 1.387(4) . ?
C20 H20 0.9500 . ?
C20 C22 1.386(3) . ?
C21 H21 0.9500 . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C24 C31 1.389(3) . ?
C25 H25 0.9500 . ?
C25 C35 1.382(4) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C27 C30 1.391(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.445(4) . ?
C31 H31 0.9500 . ?
C8 H8 0.9500 . ?
C34 H34 0.9500 . ?
C34 C32 1.381(4) . ?
C35 H35 0.9500 . ?
C32 H32 0.9500 . ?
C32 C30 1.375(4) . ?
C30 H30 0.9500 . ?
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
_geom_torsion_publ_flag
Rh1 P2 C33 C28 -135.49(18) . . . . ?
Rh1 P2 C33 C21 48.0(2) . . . . ?
Rh1 P2 C11 C10 64.5(2) . . . . ?
Rh1 P2 C11 C27 -111.0(2) . . . . ?
Rh1 P2 C12 C18 36.26(18) . . . . ?
Rh1 P1 C29 C13 -171.57(19) . . . . ?
Rh1 P1 C29 C31 11.3(2) . . . . ?
Rh1 P1 C18 C12 33.49(18) . . . . ?
Rh1 P1 C22 C19 -48.2(2) . . . . ?
Rh1 P1 C22 C20 132.6(2) . . . . ?
Rh1 C5 C1 C2 -64.88(17) . . . . ?
Rh1 C5 C9 C8 88.0(3) . . . . ?
Rh1 C5 C4 C6 -122.0(3) . . . . ?
Rh1 C5 C4 C3 56.22(16) . . . . ?
Rh1 C1 C2 C3 -62.90(18) . . . . ?
Rh1 C2 C3 C4 -72.66(18) . . . . ?
Rh1 C3 C4 C5 -62.97(18) . . . . ?
Rh1 C3 C4 C6 114.9(3) . . . . ?
P2 C33 C28 C26 -175.11(19) . . . . ?
P2 C33 C21 C17 174.8(2) . . . . ?
P2 C11 C10 C34 -177.00(19) . . . . ?
P2 C11 C27 C30 175.8(2) . . . . ?
P2 C12 C18 P1 -42.4(2) . . . . ?
P1 C29 C13 C23 -177.8(2) . . . . ?
P1 C29 C31 C24 176.7(2) . . . . ?
C29 P1 C18 C12 -92.60(18) . . . . ?
C29 P1 C22 C19 80.6(2) . . . . ?
C29 P1 C22 C20 -98.5(2) . . . . ?
C29 C13 C23 C15 1.3(4) . . . . ?
C33 P2 C11 C10 -67.6(2) . . . . ?
C33 P2 C11 C27 116.9(2) . . . . ?
C33 P2 C12 C18 165.93(16) . . . . ?
C33 C28 C26 C14 0.0(4) . . . . ?
C11 P2 C33 C28 -7.8(2) . . . . ?
C11 P2 C33 C21 175.72(19) . . . . ?
C11 P2 C12 C18 -87.31(17) . . . . ?
C11 C10 C34 C32 1.3(4) . . . . ?
C11 C27 C30 C32 0.5(4) . . . . ?
C5 C1 C2 Rh1 71.28(18) . . . . ?
C5 C1 C2 C3 8.4(3) . . . . ?
C5 C9 C8 C7 -0.8(4) . . . . ?
C10 C11 C27 C30 0.3(4) . . . . ?
C10 C34 C32 C30 -0.5(4) . . . . ?
C28 C33 C21 C17 -1.8(4) . . . . ?
C17 C14 C26 C28 -0.8(4) . . . . ?
C1 C5 C9 C8 179.2(3) . . . . ?
C1 C5 C4 Rh1 -55.50(17) . . . . ?
C1 C5 C4 C6 -177.5(2) . . . . ?
C1 C5 C4 C3 0.7(3) . . . . ?
C1 C2 C3 Rh1 64.73(18) . . . . ?
C1 C2 C3 C4 -7.9(3) . . . . ?
C12 P2 C33 C28 101.2(2) . . . . ?
C12 P2 C33 C21 -75.3(2) . . . . ?
C12 P2 C11 C10 -173.54(18) . . . . ?
C12 P2 C11 C27 10.9(2) . . . . ?
C2 C3 C4 Rh1 67.36(18) . . . . ?
C2 C3 C4 C5 4.4(3) . . . . ?
C2 C3 C4 C6 -177.7(3) . . . . ?
C9 C5 C1 Rh1 -121.0(3) . . . . ?
C9 C5 C1 C2 174.1(3) . . . . ?
C9 C5 C4 Rh1 124.7(2) . . . . ?
C9 C5 C4 C6 2.7(4) . . . . ?
C9 C5 C4 C3 -179.0(2) . . . . ?
C7 C6 C4 Rh1 -94.0(3) . . . . ?
C7 C6 C4 C5 -2.3(4) . . . . ?
C7 C6 C4 C3 -180.0(3) . . . . ?
C13 C29 C31 C24 -0.6(4) . . . . ?
C14 C17 C21 C33 1.0(4) . . . . ?
C15 C24 C31 C29 1.2(4) . . . . ?
C16 C20 C22 P1 179.7(2) . . . . ?
C16 C20 C22 C19 0.6(4) . . . . ?
C6 C7 C8 C9 1.3(5) . . . . ?
C18 P1 C29 C13 -49.4(2) . . . . ?
C18 P1 C29 C31 133.5(2) . . . . ?
C18 P1 C22 C19 -172.68(19) . . . . ?
C18 P1 C22 C20 8.2(2) . . . . ?
C19 C25 C35 C16 0.3(4) . . . . ?
C20 C16 C35 C25 0.1(4) . . . . ?
C21 C33 C28 C26 1.3(4) . . . . ?
C21 C17 C14 C26 0.3(4) . . . . ?
C22 P1 C29 C13 56.5(2) . . . . ?
C22 P1 C29 C31 -120.6(2) . . . . ?
C22 P1 C18 C12 164.72(16) . . . . ?
C22 C19 C25 C35 -0.3(4) . . . . ?
C23 C15 C24 C31 -0.6(4) . . . . ?
C24 C15 C23 C13 -0.7(4) . . . . ?
C25 C19 C22 P1 -179.4(2) . . . . ?
C25 C19 C22 C20 -0.2(4) . . . . ?
C27 C11 C10 C34 -1.2(4) . . . . ?
C4 C5 C1 Rh1 59.28(18) . . . . ?
C4 C5 C1 C2 -5.6(3) . . . . ?
C4 C5 C9 C8 -1.2(4) . . . . ?
C31 C29 C13 C23 -0.6(4) . . . . ?
C8 C7 C6 C4 0.4(5) . . . . ?
C34 C32 C30 C27 -0.5(4) . . . . ?
C35 C16 C20 C22 -0.5(4) . . . . ?
