#------------------------------------------------------------------------------
#$Date: 2021-09-04 05:57:25 +0300 (Sat, 04 Sep 2021) $
#$Revision: 268479 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/89/4518936.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_4518936
loop_
_publ_author_name
'Lu, Wenkui'
'Zhu, Xiaoyu'
'Yang, Liqun'
'Wu, Xiaoyu'
'Xie, Xiaomin'
'Zhang, Zhaoguo'
_publ_section_title
;
 Distinct Catalytic Performance of Dirhodium(II) Complexes with
 ortho-Metalated DPPP in Dehydrosilylation of Styrene Derivatives with
 Alkoxysilanes
;
_journal_issue                   16
_journal_name_full               'ACS Catalysis'
_journal_page_first              10190
_journal_page_last               10197
_journal_paper_doi               10.1021/acscatal.1c02129
_journal_volume                  11
_journal_year                    2021
_chemical_formula_moiety         'C35 H36 N2 O4 P2 Rh2, 2(C2 H3 N)'
_chemical_formula_sum            'C39 H42 N4 O4 P2 Rh2'
_chemical_formula_weight         898.52
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2021-01-13
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_cell_angle_alpha                90
_cell_angle_beta                 100.967(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.358(3)
_cell_length_b                   10.6384(11)
_cell_length_c                   20.055(2)
_cell_measurement_reflns_used    9816
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      68.34
_cell_measurement_theta_min      2.99
_cell_volume                     3845.2(8)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      173.0
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0490
_diffrn_reflns_av_unetI/netI     0.0228
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            60639
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.399
_diffrn_reflns_theta_min         2.993
_diffrn_source_current           30.0
_diffrn_source_power             1.35
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    8.093
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.6413
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0820 before and 0.0565 after correction.
The Ratio of minimum to maximum transmission is 0.8515.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear light red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_description       block
_exptl_crystal_F_000             1824
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.337
_refine_diff_density_min         -0.307
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     466
_refine_ls_number_reflns         7041
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0263
_refine_ls_R_factor_gt           0.0211
_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)+(0.0178P)²+3.4610P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0472
_refine_ls_wR_factor_ref         0.0489
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6283
_reflns_number_total             7041
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cs1c02129_si_003.cif
_cod_data_source_block           t_a
_cod_depositor_comments
'Adding full bibliography for 4518936--4518937.cif.'
_cod_database_code               4518936
_shelx_shelxl_version_number     2018/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.498
_shelx_estimated_absorpt_t_min   0.294
_olex2_refinement_description
;
1. 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
2.a Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C8(H8A,H8B), C9(H9A,H9B)
2.b Aromatic/amide H refined with riding coordinates:
 C23(H23), C20(H20), C19(H19), C17(H17), C24(H24), C26(H26), C25(H25),
 C15(H15), C2(H2), C11(H11), C18(H18), C6(H6), C14(H14), C12(H12), C5(H5),
 C3(H3), C4(H4), C13(H13)
2.c Idealised Me refined as rotating group:
 C29(H29A,H29B,H29C), C35(H35A,H35B,H35C), C33(H33A,H33B,H33C), C39(H39A,H39B,
 H39C), C31(H31A,H31B,H31C), C37(H37A,H37B,H37C)
;
_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 0.52395(2) 0.27599(2) 0.29278(2) 0.01568(5) Uani 1 1 d . . . . .
Rh2 Rh 0.64464(2) 0.18641(2) 0.26773(2) 0.01519(5) Uani 1 1 d . . . . .
P1 P 0.46310(3) 0.14172(5) 0.21851(3) 0.01835(12) Uani 1 1 d . . . . .
P2 P 0.53038(3) 0.14119(5) 0.37726(3) 0.01779(12) Uani 1 1 d . . . . .
O3 O 0.58963(8) 0.40498(15) 0.36114(8) 0.0223(3) Uani 1 1 d . . . . .
O1 O 0.52828(9) 0.41201(15) 0.21527(8) 0.0235(3) Uani 1 1 d . . . . .
O4 O 0.69613(9) 0.33075(15) 0.33741(8) 0.0251(4) Uani 1 1 d . . . . .
O2 O 0.62689(9) 0.32285(15) 0.18362(8) 0.0240(4) Uani 1 1 d . . . . .
N2 N 0.75224(11) 0.16718(18) 0.24340(10) 0.0218(4) Uani 1 1 d . . . . .
N1 N 0.41898(11) 0.37880(19) 0.31138(10) 0.0266(4) Uani 1 1 d . . . . .
C22 C 0.59975(12) 0.0491(2) 0.20588(11) 0.0181(4) Uani 1 1 d . . . . .
C21 C 0.66044(12) 0.0595(2) 0.34233(11) 0.0183(4) Uani 1 1 d . . . . .
C23 C 0.64442(13) -0.0426(2) 0.18214(11) 0.0221(5) Uani 1 1 d . . . . .
H23 H 0.696503 -0.040970 0.198426 0.026 Uiso 1 1 calc R U . . .
C32 C 0.65963(12) 0.3989(2) 0.36983(11) 0.0214(5) Uani 1 1 d . . . . .
C10 C 0.53320(13) 0.2204(2) 0.45880(11) 0.0230(5) Uani 1 1 d . . . . .
C34 C 0.57641(12) 0.4029(2) 0.17771(11) 0.0215(5) Uani 1 1 d . . . . .
C20 C 0.72231(13) -0.0220(2) 0.35215(12) 0.0231(5) Uani 1 1 d . . . . .
H20 H 0.755883 -0.017517 0.321557 0.028 Uiso 1 1 calc R U . . .
C7 C 0.39866(13) 0.0333(2) 0.24853(12) 0.0261(5) Uani 1 1 d . . . . .
H7A H 0.357561 0.082391 0.261247 0.031 Uiso 1 1 calc R U . . .
H7B H 0.377041 -0.023551 0.210856 0.031 Uiso 1 1 calc R U . . .
C16 C 0.61199(12) 0.0443(2) 0.38862(11) 0.0198(5) Uani 1 1 d . . . . .
C1 C 0.40260(13) 0.2200(2) 0.14743(12) 0.0236(5) Uani 1 1 d . . . . .
C8 C 0.43512(14) -0.0460(2) 0.30949(13) 0.0302(6) Uani 1 1 d . . . . .
H8A H 0.481407 -0.083303 0.299807 0.036 Uiso 1 1 calc R U . . .
H8B H 0.401380 -0.115743 0.315772 0.036 Uiso 1 1 calc R U . . .
C29 C 0.88309(13) 0.1975(2) 0.21343(13) 0.0296(6) Uani 1 1 d . . . . .
H29A H 0.878565 0.242738 0.170265 0.044 Uiso 1 1 calc R U . . .
H29B H 0.905878 0.115194 0.209484 0.044 Uiso 1 1 calc R U . . .
H29C H 0.914187 0.246088 0.249542 0.044 Uiso 1 1 calc R U . . .
C27 C 0.52287(12) 0.0376(2) 0.18206(11) 0.0202(5) Uani 1 1 d . . . . .
C9 C 0.45345(13) 0.0301(2) 0.37552(12) 0.0272(5) Uani 1 1 d . . . . .
H9A H 0.466341 -0.028758 0.414210 0.033 Uiso 1 1 calc R U . . .
H9B H 0.408721 0.077328 0.381613 0.033 Uiso 1 1 calc R U . . .
C28 C 0.80924(13) 0.1802(2) 0.22986(12) 0.0226(5) Uani 1 1 d . . . . .
C19 C 0.73577(14) -0.1081(2) 0.40467(13) 0.0287(5) Uani 1 1 d . . . . .
H19 H 0.778413 -0.160389 0.409599 0.034 Uiso 1 1 calc R U . . .
C17 C 0.62602(14) -0.0437(2) 0.44183(12) 0.0275(5) Uani 1 1 d . . . . .
H17 H 0.592351 -0.050918 0.472218 0.033 Uiso 1 1 calc R U . . .
C35 C 0.57079(15) 0.4976(3) 0.12077(13) 0.0326(6) Uani 1 1 d . . . . .
H35A H 0.522516 0.489114 0.090319 0.049 Uiso 1 1 calc R U . . .
H35B H 0.610467 0.482305 0.095261 0.049 Uiso 1 1 calc R U . . .
H35C H 0.575738 0.582673 0.139799 0.049 Uiso 1 1 calc R U . . .
C30 C 0.36445(14) 0.4042(2) 0.32612(14) 0.0322(6) Uani 1 1 d . . . . .
C24 C 0.61501(14) -0.1343(2) 0.13609(12) 0.0269(5) Uani 1 1 d . . . . .
H24 H 0.647094 -0.193457 0.120976 0.032 Uiso 1 1 calc R U . . .
C33 C 0.70341(14) 0.4812(3) 0.42493(14) 0.0340(6) Uani 1 1 d . . . . .
H33A H 0.699751 0.569116 0.410039 0.051 Uiso 1 1 calc R U . . .
H33B H 0.755566 0.455161 0.433821 0.051 Uiso 1 1 calc R U . . .
H33C H 0.683226 0.472645 0.466561 0.051 Uiso 1 1 calc R U . . .
C26 C 0.49316(14) -0.0553(2) 0.13528(12) 0.0272(5) Uani 1 1 d . . . . .
H26 H 0.441026 -0.059614 0.119597 0.033 Uiso 1 1 calc R U . . .
C25 C 0.53909(14) -0.1412(2) 0.11164(13) 0.0301(6) Uani 1 1 d . . . . .
H25 H 0.519026 -0.203420 0.079360 0.036 Uiso 1 1 calc R U . . .
C15 C 0.59899(16) 0.2350(3) 0.50508(13) 0.0346(6) Uani 1 1 d . . . . .
H15 H 0.643669 0.201356 0.495157 0.042 Uiso 1 1 calc R U . . .
C2 C 0.42565(15) 0.2383(3) 0.08572(13) 0.0360(6) Uani 1 1 d . . . . .
H2 H 0.471959 0.205170 0.079496 0.043 Uiso 1 1 calc R U . . .
C11 C 0.46912(16) 0.2731(3) 0.47433(14) 0.0364(6) Uani 1 1 d . . . . .
H11 H 0.423380 0.265117 0.443210 0.044 Uiso 1 1 calc R U . . .
C18 C 0.68783(14) -0.1195(2) 0.45051(12) 0.0299(6) Uani 1 1 d . . . . .
H18 H 0.697590 -0.178201 0.486835 0.036 Uiso 1 1 calc R U . . .
C6 C 0.33486(14) 0.2704(3) 0.15479(14) 0.0359(6) Uani 1 1 d . . . . .
H6 H 0.317922 0.259143 0.196307 0.043 Uiso 1 1 calc R U . . .
C14 C 0.6003(2) 0.2984(3) 0.56589(15) 0.0487(8) Uani 1 1 d . . . . .
H14 H 0.645675 0.306729 0.597514 0.058 Uiso 1 1 calc R U . . .
C38 C 0.15399(16) 0.3319(3) 0.48640(14) 0.0381(6) Uani 1 1 d . . . . .
C12 C 0.4716(2) 0.3373(3) 0.53518(16) 0.0486(8) Uani 1 1 d . . . . .
H12 H 0.427467 0.373248 0.545097 0.058 Uiso 1 1 calc R U . . .
C5 C 0.29148(16) 0.3370(3) 0.10214(16) 0.0479(8) Uani 1 1 d . . . . .
H5 H 0.245415 0.371562 0.108098 0.058 Uiso 1 1 calc R U . . .
C3 C 0.38174(18) 0.3042(3) 0.03343(14) 0.0470(8) Uani 1 1 d . . . . .
H3 H 0.398186 0.315339 -0.008325 0.056 Uiso 1 1 calc R U . . .
C4 C 0.31494(18) 0.3535(3) 0.04116(15) 0.0486(8) Uani 1 1 d . . . . .
H4 H 0.285066 0.398389 0.005055 0.058 Uiso 1 1 calc R U . . .
C13 C 0.5363(2) 0.3492(3) 0.58049(16) 0.0512(9) Uani 1 1 d . . . . .
H13 H 0.537323 0.392366 0.622116 0.061 Uiso 1 1 calc R U . . .
N4 N 0.18692(16) 0.3173(3) 0.44454(14) 0.0617(8) Uani 1 1 d . . . . .
C39 C 0.11122(17) 0.3489(3) 0.53933(15) 0.0492(8) Uani 1 1 d . . . . .
H39A H 0.078796 0.422283 0.528758 0.074 Uiso 1 1 calc R U . . .
H39B H 0.144924 0.362097 0.582898 0.074 Uiso 1 1 calc R U . . .
H39C H 0.080960 0.273919 0.542169 0.074 Uiso 1 1 calc R U . . .
C31 C 0.29425(18) 0.4341(3) 0.3472(2) 0.0666(11) Uani 1 1 d . . . . .
H31A H 0.270332 0.504777 0.320212 0.100 Uiso 1 1 calc R U . . .
H31B H 0.303981 0.456973 0.395427 0.100 Uiso 1 1 calc R U . . .
H31C H 0.261488 0.360642 0.340087 0.100 Uiso 1 1 calc R U . . .
N3 N 0.2877(2) 0.6696(4) 0.2320(2) 0.1078(16) Uani 1 1 d . . . . .
C36 C 0.3377(2) 0.6490(4) 0.2097(2) 0.0644(11) Uani 1 1 d . . . . .
C37 C 0.4006(2) 0.6210(4) 0.1786(2) 0.0710(12) Uani 1 1 d . . . . .
H37A H 0.383062 0.591437 0.132017 0.107 Uiso 1 1 calc R U . . .
H37B H 0.430864 0.555549 0.204838 0.107 Uiso 1 1 calc R U . . .
H37C H 0.430499 0.697119 0.177795 0.107 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 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
P1 Rh1 Rh2 88.419(17) . . ?
P1 Rh1 N1 94.87(5) . . ?
P2 Rh1 Rh2 89.245(16) . . ?
P2 Rh1 P1 92.51(2) . . ?
P2 Rh1 N1 96.21(5) . . ?
O3 Rh1 Rh2 87.77(4) . . ?
O3 Rh1 P1 175.86(4) . . ?
O3 Rh1 P2 89.06(5) . . ?
O3 Rh1 N1 88.77(7) . . ?
O1 Rh1 Rh2 87.47(4) . . ?
O1 Rh1 P1 91.80(5) . . ?
O1 Rh1 P2 174.50(5) . . ?
O1 Rh1 O3 86.41(6) . . ?
O1 Rh1 N1 86.81(6) . . ?
N1 Rh1 Rh2 173.49(5) . . ?
O4 Rh2 Rh1 84.08(4) . . ?
O4 Rh2 O2 90.56(6) . . ?
O2 Rh2 Rh1 84.09(4) . . ?
N2 Rh2 Rh1 163.52(5) . . ?
N2 Rh2 O4 84.62(7) . . ?
N2 Rh2 O2 84.06(6) . . ?
C22 Rh2 Rh1 97.18(6) . . ?
C22 Rh2 O4 177.83(8) . . ?
C22 Rh2 O2 91.33(7) . . ?
C22 Rh2 N2 94.51(8) . . ?
C22 Rh2 C21 87.38(9) . . ?
C21 Rh2 Rh1 96.49(6) . . ?
C21 Rh2 O4 90.73(8) . . ?
C21 Rh2 O2 178.64(7) . . ?
C21 Rh2 N2 95.61(8) . . ?
C7 P1 Rh1 117.43(8) . . ?
C1 P1 Rh1 112.65(8) . . ?
C1 P1 C7 101.99(11) . . ?
C27 P1 Rh1 113.63(8) . . ?
C27 P1 C7 103.09(11) . . ?
C27 P1 C1 106.76(11) . . ?
C10 P2 Rh1 112.03(8) . . ?
C10 P2 C9 101.78(11) . . ?
C16 P2 Rh1 113.07(7) . . ?
C16 P2 C10 105.63(11) . . ?
C16 P2 C9 104.63(11) . . ?
C9 P2 Rh1 118.37(8) . . ?
C32 O3 Rh1 119.24(14) . . ?
C34 O1 Rh1 120.44(14) . . ?
C32 O4 Rh2 122.33(14) . . ?
C34 O2 Rh2 121.45(14) . . ?
C28 N2 Rh2 167.47(19) . . ?
C30 N1 Rh1 164.8(2) . . ?
C23 C22 Rh2 121.21(17) . . ?
C27 C22 Rh2 123.00(16) . . ?
C27 C22 C23 115.8(2) . . ?
C20 C21 Rh2 121.22(16) . . ?
C16 C21 Rh2 123.42(16) . . ?
C16 C21 C20 115.4(2) . . ?
C22 C23 H23 118.8 . . ?
C24 C23 C22 122.3(2) . . ?
C24 C23 H23 118.8 . . ?
O3 C32 C33 117.0(2) . . ?
O4 C32 O3 126.1(2) . . ?
O4 C32 C33 116.9(2) . . ?
C15 C10 P2 121.53(19) . . ?
C15 C10 C11 118.1(2) . . ?
C11 C10 P2 120.3(2) . . ?
O1 C34 C35 116.3(2) . . ?
O2 C34 O1 125.7(2) . . ?
O2 C34 C35 118.0(2) . . ?
C21 C20 H20 118.8 . . ?
C19 C20 C21 122.4(2) . . ?
C19 C20 H20 118.8 . . ?
P1 C7 H7A 108.9 . . ?
P1 C7 H7B 108.9 . . ?
H7A C7 H7B 107.7 . . ?
C8 C7 P1 113.41(16) . . ?
C8 C7 H7A 108.9 . . ?
C8 C7 H7B 108.9 . . ?
C21 C16 P2 117.72(16) . . ?
C17 C16 P2 120.40(17) . . ?
C17 C16 C21 121.9(2) . . ?
C2 C1 P1 120.81(19) . . ?
C6 C1 P1 121.05(19) . . ?
C6 C1 C2 118.0(2) . . ?
C7 C8 H8A 109.0 . . ?
C7 C8 H8B 109.0 . . ?
C7 C8 C9 112.9(2) . . ?
H8A C8 H8B 107.8 . . ?
C9 C8 H8A 109.0 . . ?
C9 C8 H8B 109.0 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
C22 C27 P1 117.17(17) . . ?
C26 C27 P1 120.96(18) . . ?
C26 C27 C22 121.7(2) . . ?
P2 C9 H9A 108.9 . . ?
P2 C9 H9B 108.9 . . ?
C8 C9 P2 113.43(16) . . ?
C8 C9 H9A 108.9 . . ?
C8 C9 H9B 108.9 . . ?
H9A C9 H9B 107.7 . . ?
N2 C28 C29 179.2(3) . . ?
C20 C19 H19 119.4 . . ?
C20 C19 C18 121.1(2) . . ?
C18 C19 H19 119.4 . . ?
C16 C17 H17 119.5 . . ?
C18 C17 C16 120.9(2) . . ?
C18 C17 H17 119.5 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
N1 C30 C31 178.0(3) . . ?
C23 C24 H24 119.6 . . ?
C23 C24 C25 120.8(2) . . ?
C25 C24 H24 119.6 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C27 C26 H26 119.7 . . ?
C25 C26 C27 120.6(2) . . ?
C25 C26 H26 119.7 . . ?
C24 C25 H25 120.7 . . ?
C26 C25 C24 118.7(2) . . ?
C26 C25 H25 120.7 . . ?
C10 C15 H15 119.7 . . ?
C10 C15 C14 120.7(3) . . ?
C14 C15 H15 119.7 . . ?
C1 C2 H2 119.6 . . ?
C3 C2 C1 120.7(3) . . ?
C3 C2 H2 119.6 . . ?
C10 C11 H11 119.8 . . ?
C10 C11 C12 120.4(3) . . ?
C12 C11 H11 119.8 . . ?
C19 C18 H18 120.8 . . ?
C17 C18 C19 118.3(2) . . ?
C17 C18 H18 120.8 . . ?
C1 C6 H6 119.6 . . ?
C1 C6 C5 120.8(3) . . ?
C5 C6 H6 119.6 . . ?
C15 C14 H14 119.8 . . ?
C13 C14 C15 120.3(3) . . ?
C13 C14 H14 119.8 . . ?
N4 C38 C39 179.1(4) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 C11 120.7(3) . . ?
C13 C12 H12 119.6 . . ?
C6 C5 H5 119.8 . . ?
C4 C5 C6 120.4(3) . . ?
C4 C5 H5 119.8 . . ?
C2 C3 H3 119.6 . . ?
C4 C3 C2 120.8(3) . . ?
C4 C3 H3 119.6 . . ?
C5 C4 H4 120.4 . . ?
C3 C4 C5 119.2(3) . . ?
C3 C4 H4 120.4 . . ?
C14 C13 H13 120.1 . . ?
C12 C13 C14 119.7(3) . . ?
C12 C13 H13 120.1 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
N3 C36 C37 178.0(6) . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 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 Rh2 2.5481(4) . ?
Rh1 P1 2.2076(6) . ?
Rh1 P2 2.2057(6) . ?
Rh1 O3 2.1419(15) . ?
Rh1 O1 2.1362(15) . ?
Rh1 N1 2.307(2) . ?
Rh2 O4 2.1683(16) . ?
Rh2 O2 2.2021(15) . ?
Rh2 N2 2.1326(19) . ?
Rh2 C22 1.991(2) . ?
Rh2 C21 1.995(2) . ?
P1 C7 1.834(2) . ?
P1 C1 1.832(2) . ?
P1 C27 1.808(2) . ?
P2 C10 1.831(2) . ?
P2 C16 1.797(2) . ?
P2 C9 1.837(2) . ?
O3 C32 1.265(3) . ?
O1 C34 1.269(3) . ?
O4 C32 1.250(3) . ?
O2 C34 1.248(3) . ?
N2 C28 1.139(3) . ?
N1 C30 1.129(3) . ?
C22 C23 1.413(3) . ?
C22 C27 1.407(3) . ?
C21 C20 1.413(3) . ?
C21 C16 1.412(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.381(3) . ?
C32 C33 1.516(3) . ?
C10 C15 1.385(4) . ?
C10 C11 1.391(4) . ?
C34 C35 1.511(3) . ?
C20 H20 0.9500 . ?
C20 C19 1.382(3) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.531(3) . ?
C16 C17 1.406(3) . ?
C1 C2 1.396(3) . ?
C1 C6 1.388(3) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.533(3) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C29 C28 1.466(3) . ?
C27 C26 1.400(3) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C19 H19 0.9500 . ?
C19 C18 1.394(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.376(3) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C30 C31 1.466(4) . ?
C24 H24 0.9500 . ?
C24 C25 1.389(3) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C26 H26 0.9500 . ?
C26 C25 1.386(3) . ?
C25 H25 0.9500 . ?
C15 H15 0.9500 . ?
C15 C14 1.390(4) . ?
C2 H2 0.9500 . ?
C2 C3 1.386(4) . ?
C11 H11 0.9500 . ?
C11 C12 1.392(4) . ?
C18 H18 0.9500 . ?
C6 H6 0.9500 . ?
C6 C5 1.390(4) . ?
C14 H14 0.9500 . ?
C14 C13 1.375(5) . ?
C38 N4 1.135(4) . ?
C38 C39 1.447(4) . ?
C12 H12 0.9500 . ?
C12 C13 1.357(5) . ?
C5 H5 0.9500 . ?
C5 C4 1.383(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.369(4) . ?
C4 H4 0.9500 . ?
C13 H13 0.9500 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
N3 C36 1.116(4) . ?
C36 C37 1.444(5) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
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 P1 C7 C8 -56.2(2) . . . . ?
Rh1 P1 C1 C2 98.0(2) . . . . ?
Rh1 P1 C1 C6 -77.5(2) . . . . ?
Rh1 P1 C27 C22 2.30(19) . . . . ?
Rh1 P1 C27 C26 178.42(17) . . . . ?
Rh1 P2 C10 C15 -101.5(2) . . . . ?
Rh1 P2 C10 C11 75.3(2) . . . . ?
Rh1 P2 C16 C21 -2.6(2) . . . . ?
Rh1 P2 C16 C17 177.74(17) . . . . ?
Rh1 P2 C9 C8 53.5(2) . . . . ?
Rh1 O3 C32 O4 6.9(3) . . . . ?
Rh1 O3 C32 C33 -172.72(16) . . . . ?
Rh1 O1 C34 O2 -4.4(3) . . . . ?
Rh1 O1 C34 C35 175.13(16) . . . . ?
Rh2 O4 C32 O3 -9.2(3) . . . . ?
Rh2 O4 C32 C33 170.45(16) . . . . ?
Rh2 O2 C34 O1 -3.9(3) . . . . ?
Rh2 O2 C34 C35 176.66(16) . . . . ?
Rh2 C22 C23 C24 -176.09(18) . . . . ?
Rh2 C22 C27 P1 -7.9(2) . . . . ?
Rh2 C22 C27 C26 175.97(17) . . . . ?
Rh2 C21 C20 C19 177.97(19) . . . . ?
Rh2 C21 C16 P2 2.3(3) . . . . ?
Rh2 C21 C16 C17 -178.09(18) . . . . ?
P1 C7 C8 C9 72.6(2) . . . . ?
P1 C1 C2 C3 -176.0(2) . . . . ?
P1 C1 C6 C5 175.6(2) . . . . ?
P1 C27 C26 C25 -174.85(19) . . . . ?
P2 C10 C15 C14 178.2(2) . . . . ?
P2 C10 C11 C12 -177.6(2) . . . . ?
P2 C16 C17 C18 179.2(2) . . . . ?
C22 C23 C24 C25 -0.9(4) . . . . ?
C22 C27 C26 C25 1.1(4) . . . . ?
C21 C20 C19 C18 0.7(4) . . . . ?
C21 C16 C17 C18 -0.5(4) . . . . ?
C23 C22 C27 P1 173.19(16) . . . . ?
C23 C22 C27 C26 -2.9(3) . . . . ?
C23 C24 C25 C26 -1.1(4) . . . . ?
C10 P2 C16 C21 -125.47(18) . . . . ?
C10 P2 C16 C17 54.9(2) . . . . ?
C10 P2 C9 C8 176.75(18) . . . . ?
C10 C15 C14 C13 -0.9(4) . . . . ?
C10 C11 C12 C13 -0.3(4) . . . . ?
C20 C21 C16 P2 -177.89(17) . . . . ?
C20 C21 C16 C17 1.8(3) . . . . ?
C20 C19 C18 C17 0.7(4) . . . . ?
C7 P1 C1 C2 -135.2(2) . . . . ?
C7 P1 C1 C6 49.3(2) . . . . ?
C7 P1 C27 C22 -125.87(18) . . . . ?
C7 P1 C27 C26 50.3(2) . . . . ?
C7 C8 C9 P2 -70.9(2) . . . . ?
C16 P2 C10 C15 22.0(2) . . . . ?
C16 P2 C10 C11 -161.1(2) . . . . ?
C16 P2 C9 C8 -73.4(2) . . . . ?
C16 C21 C20 C19 -1.9(3) . . . . ?
C16 C17 C18 C19 -0.8(4) . . . . ?
C1 P1 C7 C8 -179.77(18) . . . . ?
C1 P1 C27 C22 127.11(18) . . . . ?
C1 P1 C27 C26 -56.8(2) . . . . ?
C1 C2 C3 C4 0.3(5) . . . . ?
C1 C6 C5 C4 0.5(5) . . . . ?
C27 P1 C7 C8 69.6(2) . . . . ?
C27 P1 C1 C2 -27.4(2) . . . . ?
C27 P1 C1 C6 157.1(2) . . . . ?
C27 C22 C23 C24 2.8(3) . . . . ?
C27 C26 C25 C24 1.0(4) . . . . ?
C9 P2 C10 C15 131.0(2) . . . . ?
C9 P2 C10 C11 -52.1(2) . . . . ?
C9 P2 C16 C21 127.55(18) . . . . ?
C9 P2 C16 C17 -52.1(2) . . . . ?
C15 C10 C11 C12 -0.7(4) . . . . ?
C15 C14 C13 C12 -0.1(5) . . . . ?
C2 C1 C6 C5 0.0(4) . . . . ?
C2 C3 C4 C5 0.1(5) . . . . ?
C11 C10 C15 C14 1.3(4) . . . . ?
C11 C12 C13 C14 0.7(5) . . . . ?
C6 C1 C2 C3 -0.4(4) . . . . ?
C6 C5 C4 C3 -0.6(5) . . . . ?
