#------------------------------------------------------------------------------
#$Date: 2022-03-07 11:11:21 +0200 (Mon, 07 Mar 2022) $
#$Revision: 273488 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/46/8104660.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_8104660
loop_
_publ_author_name
'Alexander, Orbett T.'
'Venter, Johan'
_publ_section_title
;
 Crystal structure of monocarbonyl(N-nitroso-N-oxido-phenylamine-κ 2
 O,O′)(tricyclohexylphosphine-\kP)rhodium(I), C25H39N2O3PRh
;
_journal_issue                   5
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              1039
_journal_page_last               1041
_journal_paper_doi               10.1515/ncrs-2021-0218
_journal_volume                  236
_journal_year                    2021
_chemical_formula_moiety         'C25 H38 N2 O3 P Rh'
_chemical_formula_sum            'C25 H38 N2 O3 P Rh'
_chemical_formula_weight         548.45
_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
_cell_angle_alpha                90
_cell_angle_beta                 91.28
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.505(5)
_cell_length_b                   14.226(5)
_cell_length_c                   13.405(5)
_cell_measurement_reflns_used    7259
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      28.25
_cell_measurement_theta_min      3.24
_cell_volume                     2574.8(16)
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      100.0
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.996
_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  0.0700
_diffrn_reflns_av_unetI/netI     0.0492
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            31008
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.997
_diffrn_reflns_theta_min         2.080
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.753
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5962
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0980 before and 0.0719 after correction.
The Ratio of minimum to maximum transmission is 0.7995.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.415
_exptl_crystal_description       plate
_exptl_crystal_F_000             1144
_exptl_crystal_size_max          0.243
_exptl_crystal_size_mid          0.188
_exptl_crystal_size_min          0.102
_refine_diff_density_max         2.055
_refine_diff_density_min         -1.049
_refine_diff_density_rms         0.090
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         6189
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0494
_refine_ls_R_factor_gt           0.0399
_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)+(0.0258P)²+5.2110P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0922
_refine_ls_wR_factor_ref         0.1026
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5256
_reflns_number_total             6189
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_j_ncrs-2021-0218_suppl.cif
_cod_data_source_block           v1_20ojv1_0ma
_cod_original_cell_volume        2574.9(15)
_cod_database_code               8104660
_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   0.927
_shelx_estimated_absorpt_t_min   0.838
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C11(H11), C21(H21), C31(H31)
2.b Secondary CH2 refined with riding coordinates:
 C12(H12A,H12B), C13(H13A,H13B), C14(H14A,H14B), C15(H15A,H15B), C16(H16A,
 H16B), C22(H22A,H22B), C23(H23A,H23B), C24(H24A,H24B), C25(H25A,H25B),
 C26(H26A,H26B), C32(H32A,H32B), C33(H33A,H33B), C34(H34A,H34B), C35(H35A,H35B),
  C36(H36A,H36B)
2.c Aromatic/amide H refined with riding coordinates:
 C42(H42), C43(H43), C44(H44), C45(H45), C46(H46)
;
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 0.27045(2) 0.23037(2) 0.40595(2) 0.02524(8) Uani 1 1 d . . . . .
P1 P 0.22497(5) 0.36301(5) 0.32757(5) 0.02454(15) Uani 1 1 d . . . . .
O1 O 0.08193(18) 0.22858(19) 0.5150(2) 0.0480(6) Uani 1 1 d . . . . .
O2 O 0.40484(15) 0.22150(14) 0.33833(16) 0.0312(4) Uani 1 1 d . . . . .
O3 O 0.33146(15) 0.10746(15) 0.46387(16) 0.0328(5) Uani 1 1 d . . . . .
N1 N 0.41959(18) 0.08689(18) 0.4324(2) 0.0315(5) Uani 1 1 d . . . . .
N2 N 0.45498(17) 0.14612(16) 0.37090(18) 0.0279(5) Uani 1 1 d . . . . .
C1 C 0.1568(3) 0.2303(2) 0.4703(2) 0.0352(7) Uani 1 1 d . . . . .
C11 C 0.3319(2) 0.4031(2) 0.2527(2) 0.0284(6) Uani 1 1 d . . . . .
H11 H 0.360617 0.344279 0.224364 0.034 Uiso 1 1 calc R U . . .
C12 C 0.4162(2) 0.4465(2) 0.3171(2) 0.0323(6) Uani 1 1 d . . . . .
H12A H 0.393850 0.507222 0.344712 0.039 Uiso 1 1 calc R U . . .
H12B H 0.432213 0.404030 0.373754 0.039 Uiso 1 1 calc R U . . .
C13 C 0.5095(2) 0.4623(3) 0.2558(3) 0.0406(7) Uani 1 1 d . . . . .
H13A H 0.560806 0.493642 0.297887 0.049 Uiso 1 1 calc R U . . .
H13B H 0.536006 0.400923 0.234188 0.049 Uiso 1 1 calc R U . . .
C14 C 0.4859(3) 0.5229(3) 0.1645(3) 0.0420(8) Uani 1 1 d . . . . .
H14A H 0.467057 0.586771 0.186359 0.050 Uiso 1 1 calc R U . . .
H14B H 0.545735 0.528427 0.123590 0.050 Uiso 1 1 calc R U . . .
C15 C 0.4019(2) 0.4808(2) 0.1016(2) 0.0387(7) Uani 1 1 d . . . . .
H15A H 0.423637 0.419790 0.074103 0.046 Uiso 1 1 calc R U . . .
H15B H 0.386418 0.523222 0.044876 0.046 Uiso 1 1 calc R U . . .
C16 C 0.3085(2) 0.4657(2) 0.1619(2) 0.0324(6) Uani 1 1 d . . . . .
H16A H 0.256715 0.435616 0.119336 0.039 Uiso 1 1 calc R U . . .
H16B H 0.282879 0.527128 0.184603 0.039 Uiso 1 1 calc R U . . .
C21 C 0.1807(2) 0.45819(19) 0.4090(2) 0.0279(6) Uani 1 1 d . . . . .
H21 H 0.115301 0.435915 0.433321 0.034 Uiso 1 1 calc R U . . .
C22 C 0.2449(2) 0.4734(2) 0.5041(2) 0.0348(6) Uani 1 1 d . . . . .
H22A H 0.255241 0.412602 0.538606 0.042 Uiso 1 1 calc R U . . .
H22B H 0.310472 0.498307 0.485712 0.042 Uiso 1 1 calc R U . . .
C23 C 0.1948(3) 0.5423(2) 0.5738(3) 0.0412(7) Uani 1 1 d . . . . .
H23A H 0.132411 0.514342 0.597393 0.049 Uiso 1 1 calc R U . . .
H23B H 0.238596 0.553662 0.632839 0.049 Uiso 1 1 calc R U . . .
C24 C 0.1723(3) 0.6350(2) 0.5224(3) 0.0422(8) Uani 1 1 d . . . . .
H24A H 0.235272 0.666357 0.505729 0.051 Uiso 1 1 calc R U . . .
H24B H 0.136455 0.676504 0.568655 0.051 Uiso 1 1 calc R U . . .
C25 C 0.1100(3) 0.6214(2) 0.4276(3) 0.0406(7) Uani 1 1 d . . . . .
H25A H 0.101242 0.682708 0.393582 0.049 Uiso 1 1 calc R U . . .
H25B H 0.043711 0.597780 0.445138 0.049 Uiso 1 1 calc R U . . .
C26 C 0.1586(2) 0.5519(2) 0.3565(2) 0.0349(7) Uani 1 1 d . . . . .
H26A H 0.220998 0.579132 0.332124 0.042 Uiso 1 1 calc R U . . .
H26B H 0.113892 0.540805 0.298178 0.042 Uiso 1 1 calc R U . . .
C31 C 0.1233(2) 0.3461(2) 0.2333(2) 0.0269(6) Uani 1 1 d . . . . .
H31 H 0.120302 0.403498 0.190231 0.032 Uiso 1 1 calc R U . . .
C32 C 0.0204(2) 0.3325(2) 0.2789(2) 0.0345(7) Uani 1 1 d . . . . .
H32A H 0.022178 0.277505 0.324251 0.041 Uiso 1 1 calc R U . . .
H32B H 0.003460 0.388608 0.318756 0.041 Uiso 1 1 calc R U . . .
C33 C -0.0597(2) 0.3171(3) 0.1971(3) 0.0416(8) Uani 1 1 d . . . . .
H33A H -0.124296 0.305873 0.228553 0.050 Uiso 1 1 calc R U . . .
H33B H -0.065864 0.374514 0.155708 0.050 Uiso 1 1 calc R U . . .
C34 C -0.0352(2) 0.2342(2) 0.1309(3) 0.0403(8) Uani 1 1 d . . . . .
H34A H -0.085601 0.229181 0.076344 0.048 Uiso 1 1 calc R U . . .
H34B H -0.037070 0.175544 0.170485 0.048 Uiso 1 1 calc R U . . .
C35 C 0.0674(3) 0.2457(3) 0.0863(3) 0.0413(8) Uani 1 1 d . . . . .
H35A H 0.066306 0.299467 0.039428 0.050 Uiso 1 1 calc R U . . .
H35B H 0.083766 0.188436 0.048047 0.050 Uiso 1 1 calc R U . . .
C36 C 0.1480(2) 0.2623(2) 0.1669(2) 0.0319(6) Uani 1 1 d . . . . .
H36A H 0.155116 0.205194 0.208727 0.038 Uiso 1 1 calc R U . . .
H36B H 0.212108 0.273756 0.134643 0.038 Uiso 1 1 calc R U . . .
C41 C 0.5559(2) 0.1349(2) 0.3381(2) 0.0279(6) Uani 1 1 d . . . . .
C42 C 0.5885(2) 0.1907(2) 0.2613(2) 0.0355(7) Uani 1 1 d . . . . .
H42 H 0.544764 0.233238 0.228065 0.043 Uiso 1 1 calc R U . . .
C43 C 0.6869(2) 0.1833(3) 0.2334(3) 0.0428(8) Uani 1 1 d . . . . .
H43 H 0.710497 0.221407 0.180847 0.051 Uiso 1 1 calc R U . . .
C44 C 0.7504(2) 0.1214(3) 0.2813(3) 0.0438(8) Uani 1 1 d . . . . .
H44 H 0.817658 0.117649 0.262491 0.053 Uiso 1 1 calc R U . . .
C45 C 0.7161(3) 0.0647(3) 0.3567(3) 0.0458(8) Uani 1 1 d . . . . .
H45 H 0.759559 0.020912 0.388487 0.055 Uiso 1 1 calc R U . . .
C46 C 0.6180(2) 0.0714(2) 0.3865(3) 0.0381(7) Uani 1 1 d . . . . .
H46 H 0.594376 0.033162 0.438986 0.046 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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
O2 Rh1 P1 94.62(6) . .
O2 Rh1 O3 76.45(8) . .
O3 Rh1 P1 171.00(6) . .
C1 Rh1 P1 89.84(10) . .
C1 Rh1 O2 175.52(11) . .
C1 Rh1 O3 99.09(11) . .
C11 P1 Rh1 107.60(9) . .
C21 P1 Rh1 115.42(10) . .
C21 P1 C11 111.02(14) . .
C21 P1 C31 104.61(13) . .
C31 P1 Rh1 113.61(9) . .
C31 P1 C11 104.02(13) . .
N2 O2 Rh1 110.61(17) . .
N1 O3 Rh1 115.16(17) . .
N2 N1 O3 114.7(2) . .
O2 N2 C41 117.5(2) . .
N1 N2 O2 123.1(2) . .
N1 N2 C41 119.3(2) . .
O1 C1 Rh1 178.2(3) . .
P1 C11 H11 105.1 . .
C12 C11 P1 113.0(2) . .
C12 C11 H11 105.1 . .
C16 C11 P1 117.07(19) . .
C16 C11 H11 105.1 . .
C16 C11 C12 110.4(2) . .
C11 C12 H12A 109.4 . .
C11 C12 H12B 109.4 . .
H12A C12 H12B 108.0 . .
C13 C12 C11 111.3(3) . .
C13 C12 H12A 109.4 . .
C13 C12 H12B 109.4 . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 108.1 . .
C14 C13 C12 110.7(3) . .
C14 C13 H13A 109.5 . .
C14 C13 H13B 109.5 . .
C13 C14 H14A 109.4 . .
C13 C14 H14B 109.4 . .
H14A C14 H14B 108.0 . .
C15 C14 C13 111.2(3) . .
C15 C14 H14A 109.4 . .
C15 C14 H14B 109.4 . .
C14 C15 H15A 109.2 . .
C14 C15 H15B 109.2 . .
C14 C15 C16 112.1(3) . .
H15A C15 H15B 107.9 . .
C16 C15 H15A 109.2 . .
C16 C15 H15B 109.2 . .
C11 C16 H16A 109.7 . .
C11 C16 H16B 109.7 . .
C15 C16 C11 110.0(2) . .
C15 C16 H16A 109.7 . .
C15 C16 H16B 109.7 . .
H16A C16 H16B 108.2 . .
P1 C21 H21 105.1 . .
C22 C21 P1 114.1(2) . .
C22 C21 H21 105.1 . .
C26 C21 P1 115.4(2) . .
C26 C21 H21 105.1 . .
C26 C21 C22 110.9(2) . .
C21 C22 H22A 109.6 . .
C21 C22 H22B 109.6 . .
H22A C22 H22B 108.1 . .
C23 C22 C21 110.5(3) . .
C23 C22 H22A 109.6 . .
C23 C22 H22B 109.6 . .
C22 C23 H23A 109.3 . .
C22 C23 H23B 109.3 . .
H23A C23 H23B 108.0 . .
C24 C23 C22 111.6(3) . .
C24 C23 H23A 109.3 . .
C24 C23 H23B 109.3 . .
C23 C24 H24A 109.3 . .
C23 C24 H24B 109.3 . .
C23 C24 C25 111.7(3) . .
H24A C24 H24B 107.9 . .
C25 C24 H24A 109.3 . .
C25 C24 H24B 109.3 . .
C24 C25 H25A 109.3 . .
C24 C25 H25B 109.3 . .
C24 C25 C26 111.5(3) . .
H25A C25 H25B 108.0 . .
C26 C25 H25A 109.3 . .
C26 C25 H25B 109.3 . .
C21 C26 H26A 109.4 . .
C21 C26 H26B 109.4 . .
C25 C26 C21 111.0(3) . .
C25 C26 H26A 109.4 . .
C25 C26 H26B 109.4 . .
H26A C26 H26B 108.0 . .
P1 C31 H31 107.9 . .
C32 C31 P1 113.9(2) . .
C32 C31 H31 107.9 . .
C36 C31 P1 109.15(19) . .
C36 C31 H31 107.9 . .
C36 C31 C32 110.0(2) . .
C31 C32 H32A 109.4 . .
C31 C32 H32B 109.4 . .
H32A C32 H32B 108.0 . .
C33 C32 C31 111.1(3) . .
C33 C32 H32A 109.4 . .
C33 C32 H32B 109.4 . .
C32 C33 H33A 109.3 . .
C32 C33 H33B 109.3 . .
H33A C33 H33B 108.0 . .
C34 C33 C32 111.6(3) . .
C34 C33 H33A 109.3 . .
C34 C33 H33B 109.3 . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
C33 C34 C35 110.9(3) . .
H34A C34 H34B 108.0 . .
C35 C34 H34A 109.5 . .
C35 C34 H34B 109.5 . .
C34 C35 H35A 109.2 . .
C34 C35 H35B 109.2 . .
C34 C35 C36 112.1(3) . .
H35A C35 H35B 107.9 . .
C36 C35 H35A 109.2 . .
C36 C35 H35B 109.2 . .
C31 C36 C35 111.7(3) . .
C31 C36 H36A 109.3 . .
C31 C36 H36B 109.3 . .
C35 C36 H36A 109.3 . .
C35 C36 H36B 109.3 . .
H36A C36 H36B 107.9 . .
C42 C41 N2 118.8(2) . .
C42 C41 C46 121.6(3) . .
C46 C41 N2 119.6(3) . .
C41 C42 H42 120.7 . .
C41 C42 C43 118.7(3) . .
C43 C42 H42 120.7 . .
C42 C43 H43 119.6 . .
C44 C43 C42 120.7(3) . .
C44 C43 H43 119.6 . .
C43 C44 H44 120.0 . .
C43 C44 C45 119.9(3) . .
C45 C44 H44 120.0 . .
C44 C45 H45 119.8 . .
C44 C45 C46 120.4(3) . .
C46 C45 H45 119.8 . .
C41 C46 C45 118.7(3) . .
C41 C46 H46 120.7 . .
C45 C46 H46 120.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 P1 2.2390(9) .
Rh1 O2 2.051(2) .
Rh1 O3 2.076(2) .
Rh1 C1 1.777(4) .
P1 C11 1.867(3) .
P1 C21 1.847(3) .
P1 C31 1.861(3) .
O1 C1 1.188(4) .
O2 N2 1.336(3) .
O3 N1 1.305(3) .
N1 N2 1.279(3) .
N2 C41 1.450(4) .
C11 H11 1.0000 .
C11 C12 1.542(4) .
C11 C16 1.535(4) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C12 C13 1.536(4) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C13 C14 1.524(5) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C14 C15 1.520(5) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C15 C16 1.529(4) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C21 H21 1.0000 .
C21 C22 1.540(4) .
C21 C26 1.534(4) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C22 C23 1.523(4) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C23 C24 1.516(5) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C24 C25 1.521(5) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C25 C26 1.530(4) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C31 H31 1.0000 .
C31 C32 1.544(4) .
C31 C36 1.530(4) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C32 C33 1.539(4) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C33 C34 1.516(5) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C34 C35 1.531(5) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C35 C36 1.535(4) .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C41 C42 1.381(4) .
C41 C46 1.385(4) .
C42 H42 0.9500 .
C42 C43 1.391(4) .
C43 H43 0.9500 .
C43 C44 1.378(5) .
C44 H44 0.9500 .
C44 C45 1.381(5) .
C45 H45 0.9500 .
C45 C46 1.395(5) .
C46 H46 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
Rh1 P1 C11 C12 -74.5(2) . . . .
Rh1 P1 C11 C16 155.6(2) . . . .
Rh1 P1 C21 C22 44.5(2) . . . .
Rh1 P1 C21 C26 174.67(18) . . . .
Rh1 P1 C31 C32 75.2(2) . . . .
Rh1 P1 C31 C36 -48.2(2) . . . .
Rh1 O2 N2 N1 3.0(3) . . . .
Rh1 O2 N2 C41 -173.77(18) . . . .
Rh1 O3 N1 N2 0.3(3) . . . .
P1 C11 C12 C13 170.0(2) . . . .
P1 C11 C16 C15 -172.4(2) . . . .
P1 C21 C22 C23 -171.4(2) . . . .
P1 C21 C26 C25 172.7(2) . . . .
P1 C31 C32 C33 -178.9(2) . . . .
P1 C31 C36 C35 -179.1(2) . . . .
O2 N2 C41 C42 -12.4(4) . . . .
O2 N2 C41 C46 165.3(3) . . . .
O3 N1 N2 O2 -2.3(4) . . . .
O3 N1 N2 C41 174.4(2) . . . .
N1 N2 C41 C42 170.7(3) . . . .
N1 N2 C41 C46 -11.6(4) . . . .
N2 C41 C42 C43 176.7(3) . . . .
N2 C41 C46 C45 -177.2(3) . . . .
C11 P1 C21 C22 -78.3(2) . . . .
C11 P1 C21 C26 51.9(2) . . . .
C11 P1 C31 C32 -168.1(2) . . . .
C11 P1 C31 C36 68.5(2) . . . .
C11 C12 C13 C14 55.8(4) . . . .
C12 C11 C16 C15 56.5(3) . . . .
C12 C13 C14 C15 -55.0(4) . . . .
C13 C14 C15 C16 56.2(4) . . . .
C14 C15 C16 C11 -56.7(4) . . . .
C16 C11 C12 C13 -56.8(3) . . . .
C21 P1 C11 C12 52.7(2) . . . .
C21 P1 C11 C16 -77.2(3) . . . .
C21 P1 C31 C32 -51.6(2) . . . .
C21 P1 C31 C36 -174.9(2) . . . .
C21 C22 C23 C24 -56.2(4) . . . .
C22 C21 C26 C25 -55.6(3) . . . .
C22 C23 C24 C25 55.7(4) . . . .
C23 C24 C25 C26 -54.7(4) . . . .
C24 C25 C26 C21 54.7(4) . . . .
C26 C21 C22 C23 56.2(3) . . . .
C31 P1 C11 C12 164.7(2) . . . .
C31 P1 C11 C16 34.8(3) . . . .
C31 P1 C21 C22 170.1(2) . . . .
C31 P1 C21 C26 -59.7(2) . . . .
C31 C32 C33 C34 56.6(4) . . . .
C32 C31 C36 C35 55.3(3) . . . .
C32 C33 C34 C35 -55.1(4) . . . .
C33 C34 C35 C36 54.3(4) . . . .
C34 C35 C36 C31 -55.0(4) . . . .
C36 C31 C32 C33 -56.0(3) . . . .
C41 C42 C43 C44 0.2(5) . . . .
C42 C41 C46 C45 0.5(5) . . . .
C42 C43 C44 C45 1.1(6) . . . .
C43 C44 C45 C46 -1.6(6) . . . .
C44 C45 C46 C41 0.9(6) . . . .
C46 C41 C42 C43 -1.0(5) . . . .
