#------------------------------------------------------------------------------
#$Date: 2023-05-05 04:07:41 +0300 (Fri, 05 May 2023) $
#$Revision: 283173 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/86/1568646.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_1568646
loop_
_publ_author_name
'Lapointe, Sébastien'
'Duari, Prakash'
'Gessner, Viktoria H.'
_publ_section_title
;
 Probing the donor strength of yldiide ligands: synthesis, structure and
 reactivity of rhodium complexes with a PCylideN pincer ligand.
;
_journal_issue                   14
_journal_name_full               'Chemical science'
_journal_page_first              3816
_journal_page_last               3825
_journal_paper_doi               10.1039/d2sc06759e
_journal_volume                  14
_journal_year                    2023
_chemical_formula_sum            'C59 H64 Br2 N2 O P3 Rh'
_chemical_formula_weight         1172.76
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-11-19 deposited with the CCDC.	2023-03-13 downloaded from the CCDC.
;
_cell_angle_alpha                96.372(2)
_cell_angle_beta                 103.5600(10)
_cell_angle_gamma                100.505(2)
_cell_formula_units_Z            2
_cell_length_a                   10.7834(2)
_cell_length_b                   14.9584(3)
_cell_length_c                   19.8288(3)
_cell_measurement_reflns_used    53764
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      76.0450
_cell_measurement_theta_min      2.4270
_cell_volume                     3017.36(10)
_computing_cell_refinement       'CrysAlisPro 1.171.40.20a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.40.20a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.40.20a (Rigaku OD, 2018)'
_computing_molecular_graphics    'SHELXLE-2019 (Sheldrick, 2019)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT-2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.1193
_diffrn_reflns_av_unetI/netI     0.0475
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.958
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            81811
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.958
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.832
_diffrn_reflns_theta_min         2.322
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    4.874
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.591
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.20a (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.291
_exptl_crystal_description       prism
_exptl_crystal_F_000             1200
_exptl_crystal_size_max          0.170
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.040
_refine_diff_density_max         1.996
_refine_diff_density_min         -1.824
_refine_diff_density_rms         0.134
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     668
_refine_ls_number_reflns         12212
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0862
_refine_ls_R_factor_gt           0.0776
_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)+(0.1531P)²+3.2718P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2247
_refine_ls_wR_factor_ref         0.2356
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10009
_reflns_number_total             12212
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc06759e2.cif
_cod_data_source_block           SL-227
_cod_depositor_comments
'Adding full bibliography for 1568644--1568653.cif.'
_cod_database_code               1568646
_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_min   0.491
_shelx_estimated_absorpt_t_max   0.829
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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 0.35266(4) 0.75758(3) 0.72415(2) 0.04643(15) Uani 1 1 d . . . . .
Br1 Br 0.12775(5) 0.76429(4) 0.64189(3) 0.05029(17) Uani 1 1 d . . . . .
Br2 Br 0.25074(6) 0.79162(5) 0.82621(3) 0.05791(19) Uani 1 1 d . . . . .
P1 P 0.31698(15) 0.60587(11) 0.72765(8) 0.0540(4) Uani 1 1 d . . . . .
P2 P 0.58301(13) 0.87060(11) 0.82214(8) 0.0528(3) Uani 1 1 d . . . . .
P3 P 0.44073(13) 0.74404(11) 0.62850(8) 0.0509(3) Uani 1 1 d . . . . .
O1 O 0.4642(5) 0.5935(3) 0.7688(3) 0.0822(17) Uani 1 1 d . . . . .
N1 N 0.4690(4) 0.9017(3) 0.7668(2) 0.0489(10) Uani 1 1 d . . . . .
N2 N 0.3181(4) 0.6900(4) 0.5568(2) 0.0526(11) Uani 1 1 d . . . . .
H2 H 0.257707 0.646323 0.563620 0.063 Uiso 1 1 calc R U . . .
C1 C 0.2801(5) 0.5191(4) 0.6490(3) 0.0518(12) Uani 1 1 d . . . . .
H1 H 0.325741 0.548990 0.616221 0.062 Uiso 1 1 calc R U . . .
C2 C 0.3320(6) 0.4311(5) 0.6590(4) 0.0682(18) Uani 1 1 d . . . . .
H2A H 0.426427 0.447871 0.683132 0.082 Uiso 1 1 calc R U . . .
H2B H 0.286309 0.396117 0.688885 0.082 Uiso 1 1 calc R U . . .
C3 C 0.3108(6) 0.3711(5) 0.5881(4) 0.0679(17) Uani 1 1 d . . . . .
H3A H 0.365936 0.403243 0.560877 0.081 Uiso 1 1 calc R U . . .
H3B H 0.338581 0.312725 0.595909 0.081 Uiso 1 1 calc R U . . .
C4 C 0.1713(6) 0.3498(4) 0.5464(3) 0.0593(14) Uani 1 1 d . . . . .
H4A H 0.118050 0.309147 0.569992 0.071 Uiso 1 1 calc R U . . .
H4B H 0.163957 0.316079 0.499277 0.071 Uiso 1 1 calc R U . . .
C5 C 0.1171(6) 0.4359(4) 0.5381(3) 0.0560(13) Uani 1 1 d . . . . .
H5A H 0.023051 0.418152 0.513260 0.067 Uiso 1 1 calc R U . . .
H5B H 0.162620 0.473056 0.509202 0.067 Uiso 1 1 calc R U . . .
C6 C 0.1348(5) 0.4941(4) 0.6099(3) 0.0507(12) Uani 1 1 d . . . . .
H6A H 0.101880 0.550987 0.603240 0.061 Uiso 1 1 calc R U . . .
H6B H 0.084333 0.458919 0.637716 0.061 Uiso 1 1 calc R U . . .
C7 C 0.2233(10) 0.5644(6) 0.7871(4) 0.084(2) Uani 1 1 d . . . . .
H7 H 0.261185 0.611055 0.830790 0.101 Uiso 1 1 calc R U . . .
C8 C 0.2483(13) 0.4739(6) 0.8120(5) 0.102(3) Uani 1 1 d . . . . .
H8BC H 0.340872 0.479905 0.837327 0.122 Uiso 0.436(11) 1 calc R U P A 2
H8BD H 0.222765 0.422174 0.772298 0.122 Uiso 0.436(11) 1 calc R U P A 2
H8AA H 0.192624 0.421018 0.776868 0.122 Uiso 0.564(11) 1 calc R U P A 1
H8AB H 0.340714 0.471097 0.816157 0.122 Uiso 0.564(11) 1 calc R U P A 1
C9A C 0.220(2) 0.4681(12) 0.8775(9) 0.081(4) Uani 0.564(11) 1 d . . P A 1
H9AA H 0.279225 0.518815 0.913555 0.098 Uiso 0.564(11) 1 calc R U P A 1
H9AB H 0.233977 0.408865 0.892429 0.098 Uiso 0.564(11) 1 calc R U P A 1
C10A C 0.083(2) 0.4747(13) 0.8706(11) 0.083(4) Uani 0.564(11) 1 d . . P A 1
H10A H 0.065358 0.475393 0.917347 0.099 Uiso 0.564(11) 1 calc R U P A 1
H10B H 0.025527 0.419157 0.839291 0.099 Uiso 0.564(11) 1 calc R U P A 1
C11A C 0.0486(17) 0.5621(13) 0.8406(11) 0.081(4) Uani 0.564(11) 1 d . . P A 1
H11A H 0.097713 0.617811 0.874833 0.097 Uiso 0.564(11) 1 calc R U P A 1
H11B H -0.045754 0.559757 0.834638 0.097 Uiso 0.564(11) 1 calc R U P A 1
C9B C 0.136(3) 0.4594(19) 0.8733(13) 0.081(4) Uani 0.436(11) 1 d . . P A 2
H9BA H 0.131239 0.396753 0.885751 0.098 Uiso 0.436(11) 1 calc R U P A 2
H9BB H 0.178300 0.503717 0.917198 0.098 Uiso 0.436(11) 1 calc R U P A 2
C10B C -0.002(3) 0.4722(15) 0.8466(13) 0.083(4) Uani 0.436(11) 1 d . . P A 2
H10C H -0.052144 0.417172 0.812084 0.099 Uiso 0.436(11) 1 calc R U P A 2
H10D H -0.041927 0.475108 0.886534 0.099 Uiso 0.436(11) 1 calc R U P A 2
C11B C -0.014(2) 0.5553(18) 0.8130(15) 0.081(4) Uani 0.436(11) 1 d . . P A 2
H11C H 0.003643 0.610013 0.849663 0.097 Uiso 0.436(11) 1 calc R U P A 2
H11D H -0.104534 0.547443 0.783447 0.097 Uiso 0.436(11) 1 calc R U P A 2
C12 C 0.0817(9) 0.5700(5) 0.7678(5) 0.079(2) Uani 1 1 d . . . . .
H12A H 0.028232 0.518476 0.730711 0.095 Uiso 0.564(11) 1 calc R U P A 1
H12B H 0.070089 0.629305 0.752232 0.095 Uiso 0.564(11) 1 calc R U P A 1
H12C H 0.041130 0.525810 0.723654 0.095 Uiso 0.436(11) 1 calc R U P A 2
H12D H 0.080786 0.632059 0.754971 0.095 Uiso 0.436(11) 1 calc R U P A 2
C13 C 0.5217(5) 0.7535(5) 0.7933(3) 0.0566(15) Uani 1 1 d . . . . .
C14 C 0.5486(7) 0.6723(5) 0.8068(4) 0.078(2) Uani 1 1 d . . . . .
C15 C 0.6709(8) 0.6573(6) 0.8558(6) 0.099(3) Uani 1 1 d . . . . .
H15C H 0.681409 0.693092 0.902659 0.119 Uiso 0.484(8) 1 calc R U P B -1
H15D H 0.746485 0.683594 0.838606 0.119 Uiso 0.484(8) 1 calc R U P B -1
H15A H 0.733710 0.645821 0.828359 0.119 Uiso 0.516(8) 1 calc R U P B -2
H15B H 0.711929 0.713945 0.890587 0.119 Uiso 0.516(8) 1 calc R U P B -2
C22 C 0.6039(6) 0.8994(5) 0.9167(4) 0.0666(18) Uani 1 1 d . . . . .
C23 C 0.6806(8) 0.9830(7) 0.9533(4) 0.086(2) Uani 1 1 d . . . . .
H23 H 0.725200 1.024434 0.929402 0.103 Uiso 1 1 calc R U . . .
C24 C 0.6929(9) 1.0064(7) 1.0239(5) 0.093(3) Uani 1 1 d . . . . .
H24 H 0.741350 1.065537 1.047907 0.112 Uiso 1 1 calc R U . . .
C25 C 0.6357(8) 0.9450(8) 1.0600(4) 0.091(3) Uani 1 1 d . . . . .
H25 H 0.648952 0.959664 1.109403 0.109 Uiso 1 1 calc R U . . .
C26 C 0.5601(8) 0.8633(7) 1.0243(4) 0.082(2) Uani 1 1 d . . . . .
H26 H 0.517621 0.821177 1.048518 0.098 Uiso 1 1 calc R U . . .
C27 C 0.5441(7) 0.8405(6) 0.9526(4) 0.073(2) Uani 1 1 d . . . . .
H27 H 0.490642 0.782941 0.928228 0.088 Uiso 1 1 calc R U . . .
C28 C 0.7449(6) 0.9097(5) 0.8097(4) 0.0665(18) Uani 1 1 d . . . . .
C29 C 0.7618(7) 0.9563(5) 0.7557(4) 0.072(2) Uani 1 1 d . . . . .
H29 H 0.691289 0.976793 0.727756 0.086 Uiso 1 1 calc R U . . .
C30 C 0.8848(8) 0.9731(7) 0.7426(5) 0.093(3) Uani 1 1 d . . . . .
H30 H 0.899910 1.006914 0.706424 0.112 Uiso 1 1 calc R U . . .
C31B C 0.9862(9) 0.9396(9) 0.7832(7) 0.118(4) Uani 1 1 d . . . . .
H31B H 1.067762 0.946028 0.771654 0.141 Uiso 1 1 calc R U . . .
C32 C 0.9689(8) 0.8988(9) 0.8378(6) 0.107(3) Uani 1 1 d . . . . .
H32 H 1.041147 0.880945 0.866435 0.129 Uiso 1 1 calc R U . . .
C33 C 0.8502(7) 0.8814(7) 0.8546(5) 0.090(3) Uani 1 1 d . . . . .
H33 H 0.839223 0.852360 0.893738 0.108 Uiso 1 1 calc R U . . .
C34 C 0.4379(6) 0.9884(4) 0.7714(3) 0.0542(13) Uani 1 1 d . . . . .
C35 C 0.5315(7) 1.0697(5) 0.8037(4) 0.0686(17) Uani 1 1 d . . . . .
H35 H 0.619431 1.067207 0.824251 0.082 Uiso 1 1 calc R U . . .
C36 C 0.4930(8) 1.1545(5) 0.8052(4) 0.076(2) Uani 1 1 d . . . . .
H36 H 0.556701 1.208915 0.827209 0.091 Uiso 1 1 calc R U . . .
C37 C 0.3686(9) 1.1621(5) 0.7766(4) 0.075(2) Uani 1 1 d . . . . .
C38 C 0.2775(8) 1.0820(5) 0.7430(4) 0.0663(16) Uani 1 1 d . . . . .
H38 H 0.190322 1.085513 0.721559 0.080 Uiso 1 1 calc R U . . .
C39 C 0.3122(6) 0.9970(4) 0.7402(3) 0.0541(13) Uani 1 1 d . . . . .
H39 H 0.248207 0.943406 0.716464 0.065 Uiso 1 1 calc R U . . .
C40 C 0.3287(12) 1.2545(6) 0.7810(7) 0.114(4) Uani 1 1 d . . . . .
H40A H 0.311533 1.269890 0.826842 0.171 Uiso 1 1 calc R U . . .
H40B H 0.249472 1.250882 0.743609 0.171 Uiso 1 1 calc R U . . .
H40C H 0.399323 1.302207 0.775490 0.171 Uiso 1 1 calc R U . . .
C41 C 0.5700(6) 0.6797(5) 0.6315(3) 0.0614(16) Uani 1 1 d . . . . .
C42 C 0.5514(6) 0.5952(5) 0.5890(3) 0.0585(14) Uani 1 1 d . . . . .
H42 H 0.469038 0.570026 0.556366 0.070 Uiso 1 1 calc R U . . .
C43 C 0.6503(6) 0.5474(5) 0.5932(3) 0.0625(16) Uani 1 1 d . . . . .
H43 H 0.634172 0.488695 0.565066 0.075 Uiso 1 1 calc R U . . .
C44 C 0.7731(6) 0.5843(5) 0.6384(4) 0.0642(16) Uani 1 1 d . . . . .
H44 H 0.841693 0.551894 0.640695 0.077 Uiso 1 1 calc R U . . .
C45 C 0.7942(6) 0.6703(5) 0.6804(4) 0.0650(17) Uani 1 1 d . . . . .
H45 H 0.878032 0.696856 0.711035 0.078 Uiso 1 1 calc R U . . .
C46 C 0.6938(5) 0.7165(5) 0.6776(4) 0.0638(17) Uani 1 1 d . . . . .
H46 H 0.708695 0.773954 0.707211 0.077 Uiso 1 1 calc R U . . .
C47 C 0.5089(6) 0.8533(5) 0.6066(3) 0.0597(15) Uani 1 1 d . . . . .
C48 C 0.6245(6) 0.8724(6) 0.5840(3) 0.0687(18) Uani 1 1 d . . . . .
H48 H 0.670368 0.824739 0.578374 0.082 Uiso 1 1 calc R U . . .
C49 C 0.6714(7) 0.9561(6) 0.5702(4) 0.078(2) Uani 1 1 d . . . . .
H49 H 0.749575 0.966592 0.555204 0.094 Uiso 1 1 calc R U . . .
C50 C 0.6077(8) 1.0264(6) 0.5776(4) 0.079(2) Uani 1 1 d . . . . .
H50 H 0.642762 1.085644 0.568753 0.095 Uiso 1 1 calc R U . . .
C51 C 0.4908(8) 1.0109(5) 0.5981(3) 0.0680(17) Uani 1 1 d . . . . .
H51 H 0.445852 1.059313 0.602956 0.082 Uiso 1 1 calc R U . . .
C52 C 0.4418(6) 0.9244(5) 0.6112(3) 0.0575(14) Uani 1 1 d . . . . .
H52 H 0.360975 0.913041 0.623494 0.069 Uiso 1 1 calc R U . . .
C53 C 0.3039(6) 0.7087(4) 0.4872(3) 0.0555(14) Uani 1 1 d . . . . .
C54 C 0.4022(6) 0.7120(5) 0.4522(3) 0.0595(15) Uani 1 1 d . . . . .
H54 H 0.485626 0.702678 0.475022 0.071 Uiso 1 1 calc R U . . .
C55 C 0.3764(7) 0.7289(6) 0.3835(4) 0.077(2) Uani 1 1 d . . . . .
H55 H 0.444179 0.731011 0.360175 0.092 Uiso 1 1 calc R U . . .
C56 C 0.2560(8) 0.7430(7) 0.3469(4) 0.086(3) Uani 1 1 d . . . . .
C57 C 0.1601(7) 0.7395(6) 0.3836(4) 0.079(2) Uani 1 1 d . . . . .
H57 H 0.077094 0.749886 0.361165 0.095 Uiso 1 1 calc R U . . .
C58 C 0.1822(6) 0.7214(5) 0.4514(3) 0.0657(17) Uani 1 1 d . . . . .
H58 H 0.113534 0.717380 0.474172 0.079 Uiso 1 1 calc R U . . .
C59B C 0.2320(10) 0.7673(10) 0.2749(4) 0.119(4) Uani 1 1 d . . . . .
H59A H 0.282449 0.829442 0.276601 0.179 Uiso 1 1 calc R U . . .
H59B H 0.138707 0.765528 0.256583 0.179 Uiso 1 1 calc R U . . .
H59C H 0.258883 0.723070 0.244025 0.179 Uiso 1 1 calc R U . . .
C17A C 0.6462(9) 0.5849(6) 0.8906(5) 0.059(3) Uani 0.516(8) 1 d G . P B -2
C16A C 0.6058(11) 0.6076(6) 0.9507(5) 0.079(4) Uani 0.516(8) 1 d G . P B -2
H16A H 0.600937 0.669366 0.964994 0.095 Uiso 0.516(8) 1 calc R U P B -2
C18A C 0.5726(12) 0.5399(9) 0.9900(5) 0.092(5) Uani 0.516(8) 1 d G . P B -2
H18A H 0.544971 0.555437 1.031055 0.110 Uiso 0.516(8) 1 calc R U P B -2
C19A C 0.5797(12) 0.4496(7) 0.9691(6) 0.098(6) Uani 0.516(8) 1 d G . P B -2
H19A H 0.556985 0.403344 0.995948 0.117 Uiso 0.516(8) 1 calc R U P B -2
C20A C 0.6201(13) 0.4269(6) 0.9090(6) 0.099(6) Uani 0.516(8) 1 d G . P B -2
H20A H 0.624965 0.365179 0.894778 0.119 Uiso 0.516(8) 1 calc R U P B -2
C21A C 0.6533(11) 0.4946(8) 0.8698(5) 0.076(4) Uani 0.516(8) 1 d G . P B -2
H21A H 0.680930 0.479106 0.828716 0.091 Uiso 0.516(8) 1 calc R U P B -2
C16B C 0.6783(14) 0.5538(13) 0.8659(9) 0.063(4) Uani 0.484(8) 1 d . . P B -1
C17B C 0.7099(15) 0.5180(10) 0.9257(7) 0.065(4) Uani 0.484(8) 1 d . . P B -1
H17B H 0.706797 0.551196 0.968809 0.078 Uiso 0.484(8) 1 calc R U P B -1
C18B C 0.7467(15) 0.4340(10) 0.9256(8) 0.069(4) Uani 0.484(8) 1 d . . P B -1
H18B H 0.771814 0.409893 0.967928 0.082 Uiso 0.484(8) 1 calc R U P B -1
C19B C 0.7455(14) 0.3875(10) 0.8624(7) 0.064(3) Uani 0.484(8) 1 d . . P B -1
H19B H 0.768723 0.329159 0.860578 0.077 Uiso 0.484(8) 1 calc R U P B -1
C20B C 0.7120(13) 0.4220(11) 0.8018(7) 0.065(4) Uani 0.484(8) 1 d . . P B -1
H20B H 0.710864 0.387059 0.758536 0.078 Uiso 0.484(8) 1 calc R U P B -1
C21B C 0.6801(12) 0.5061(10) 0.8023(7) 0.059(3) Uani 0.484(8) 1 d . . P B -1
H21B H 0.659626 0.531229 0.760135 0.071 Uiso 0.484(8) 1 calc R U P B -1
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'
Br Br -0.6763 1.2805 '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
C13 Rh1 P1 80.8(2) . . ?
C13 Rh1 N1 70.4(2) . . ?
P1 Rh1 N1 150.66(13) . . ?
C13 Rh1 P3 93.12(17) . . ?
P1 Rh1 P3 93.54(6) . . ?
N1 Rh1 P3 93.69(12) . . ?
C13 Rh1 Br2 90.19(16) . . ?
P1 Rh1 Br2 93.04(5) . . ?
N1 Rh1 Br2 81.64(11) . . ?
P3 Rh1 Br2 173.03(5) . . ?
C13 Rh1 Br1 176.23(17) . . ?
P1 Rh1 Br1 99.07(4) . . ?
N1 Rh1 Br1 109.24(12) . . ?
P3 Rh1 Br1 90.65(4) . . ?
Br2 Rh1 Br1 86.05(2) . . ?
C13 Rh1 P2 36.5(2) . . ?
P1 Rh1 P2 116.69(5) . . ?
N1 Rh1 P2 34.10(12) . . ?
P3 Rh1 P2 96.87(5) . . ?
Br2 Rh1 P2 82.18(3) . . ?
Br1 Rh1 P2 142.75(4) . . ?
O1 P1 C7 100.5(4) . . ?
O1 P1 C1 100.6(3) . . ?
C7 P1 C1 109.6(4) . . ?
O1 P1 Rh1 101.9(2) . . ?
C7 P1 Rh1 116.9(3) . . ?
C1 P1 Rh1 122.7(2) . . ?
N1 P2 C13 94.7(3) . . ?
N1 P2 C28 113.2(3) . . ?
C13 P2 C28 112.8(3) . . ?
N1 P2 C22 120.5(3) . . ?
C13 P2 C22 111.1(3) . . ?
C28 P2 C22 104.7(3) . . ?
N1 P2 Rh1 51.11(17) . . ?
C13 P2 Rh1 43.89(18) . . ?
C28 P2 Rh1 129.2(2) . . ?
C22 P2 Rh1 125.1(3) . . ?
N2 P3 C47 106.0(3) . . ?
N2 P3 C41 105.7(3) . . ?
C47 P3 C41 103.8(3) . . ?
N2 P3 Rh1 108.02(17) . . ?
C47 P3 Rh1 113.80(19) . . ?
C41 P3 Rh1 118.6(2) . . ?
C14 O1 P1 115.6(4) . . ?
C34 N1 P2 126.1(4) . . ?
C34 N1 Rh1 134.1(4) . . ?
P2 N1 Rh1 94.8(2) . . ?
C53 N2 P3 126.2(4) . . ?
C53 N2 H2 116.9 . . ?
P3 N2 H2 116.9 . . ?
C6 C1 C2 110.1(5) . . ?
C6 C1 P1 113.1(4) . . ?
C2 C1 P1 116.1(4) . . ?
C6 C1 H1 105.5 . . ?
C2 C1 H1 105.5 . . ?
P1 C1 H1 105.5 . . ?
C3 C2 C1 110.5(6) . . ?
C3 C2 H2A 109.5 . . ?
C1 C2 H2A 109.5 . . ?
C3 C2 H2B 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 108.1 . . ?
C4 C3 C2 112.2(5) . . ?
C4 C3 H3A 109.2 . . ?
C2 C3 H3A 109.2 . . ?
C4 C3 H3B 109.2 . . ?
C2 C3 H3B 109.2 . . ?
H3A C3 H3B 107.9 . . ?
C3 C4 C5 112.4(5) . . ?
C3 C4 H4A 109.1 . . ?
C5 C4 H4A 109.1 . . ?
C3 C4 H4B 109.1 . . ?
C5 C4 H4B 109.1 . . ?
H4A C4 H4B 107.8 . . ?
C4 C5 C6 111.1(5) . . ?
C4 C5 H5A 109.4 . . ?
C6 C5 H5A 109.4 . . ?
C4 C5 H5B 109.4 . . ?
C6 C5 H5B 109.4 . . ?
H5A C5 H5B 108.0 . . ?
C1 C6 C5 109.3(5) . . ?
C1 C6 H6A 109.8 . . ?
C5 C6 H6A 109.8 . . ?
C1 C6 H6B 109.8 . . ?
C5 C6 H6B 109.8 . . ?
H6A C6 H6B 108.3 . . ?
C12 C7 C8 114.4(9) . . ?
C12 C7 P1 115.5(5) . . ?
C8 C7 P1 115.1(7) . . ?
C12 C7 H7 103.1 . . ?
C8 C7 H7 103.1 . . ?
P1 C7 H7 103.1 . . ?
C9A C8 C7 110.5(10) . . ?
C7 C8 C9B 100.6(10) . . ?
C7 C8 H8BC 111.6 . . ?
C9B C8 H8BC 111.6 . . ?
C7 C8 H8BD 111.6 . . ?
C9B C8 H8BD 111.6 . . ?
H8BC C8 H8BD 109.4 . . ?
C9A C8 H8AA 109.5 . . ?
C7 C8 H8AA 109.5 . . ?
C9A C8 H8AB 109.5 . . ?
C7 C8 H8AB 109.5 . . ?
H8AA C8 H8AB 108.1 . . ?
C8 C9A C10A 108.7(15) . . ?
C8 C9A H9AA 110.0 . . ?
C10A C9A H9AA 110.0 . . ?
C8 C9A H9AB 110.0 . . ?
C10A C9A H9AB 110.0 . . ?
H9AA C9A H9AB 108.3 . . ?
C9A C10A C11A 113.8(14) . . ?
C9A C10A H10A 108.8 . . ?
C11A C10A H10A 108.8 . . ?
C9A C10A H10B 108.8 . . ?
C11A C10A H10B 108.8 . . ?
H10A C10A H10B 107.7 . . ?
C10A C11A C12 112.4(13) . . ?
C10A C11A H11A 109.1 . . ?
C12 C11A H11A 109.1 . . ?
C10A C11A H11B 109.1 . . ?
C12 C11A H11B 109.1 . . ?
H11A C11A H11B 107.8 . . ?
C10B C9B C8 117.4(17) . . ?
C10B C9B H9BA 107.9 . . ?
C8 C9B H9BA 107.9 . . ?
C10B C9B H9BB 107.9 . . ?
C8 C9B H9BB 107.9 . . ?
H9BA C9B H9BB 107.2 . . ?
C11B C10B C9B 116(2) . . ?
C11B C10B H10C 108.4 . . ?
C9B C10B H10C 108.4 . . ?
C11B C10B H10D 108.4 . . ?
C9B C10B H10D 108.4 . . ?
H10C C10B H10D 107.4 . . ?
C10B C11B C12 109.9(17) . . ?
C10B C11B H11C 109.7 . . ?
C12 C11B H11C 109.7 . . ?
C10B C11B H11D 109.7 . . ?
C12 C11B H11D 109.7 . . ?
H11C C11B H11D 108.2 . . ?
C7 C12 C11B 127.1(11) . . ?
C7 C12 C11A 100.2(9) . . ?
C7 C12 H12A 111.7 . . ?
C11A C12 H12A 111.7 . . ?
C7 C12 H12B 111.7 . . ?
C11A C12 H12B 111.7 . . ?
H12A C12 H12B 109.5 . . ?
C7 C12 H12C 105.5 . . ?
C11B C12 H12C 105.5 . . ?
C7 C12 H12D 105.5 . . ?
C11B C12 H12D 105.5 . . ?
H12C C12 H12D 106.1 . . ?
C14 C13 P2 140.1(5) . . ?
C14 C13 Rh1 120.0(5) . . ?
P2 C13 Rh1 99.6(3) . . ?
C13 C14 O1 118.3(5) . . ?
C13 C14 C15 126.6(7) . . ?
O1 C14 C15 114.9(6) . . ?
C17A C15 C14 112.6(8) . . ?
C14 C15 C16B 117.5(8) . . ?
C14 C15 H15C 107.9 . . ?
C16B C15 H15C 107.9 . . ?
C14 C15 H15D 107.9 . . ?
C16B C15 H15D 107.9 . . ?
H15C C15 H15D 107.2 . . ?
C17A C15 H15A 109.1 . . ?
C14 C15 H15A 109.1 . . ?
C17A C15 H15B 109.1 . . ?
C14 C15 H15B 109.1 . . ?
H15A C15 H15B 107.8 . . ?
C27 C22 C23 118.4(7) . . ?
C27 C22 P2 121.4(5) . . ?
C23 C22 P2 120.2(7) . . ?
C24 C23 C22 120.5(10) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C25 C24 C23 120.4(8) . . ?
C25 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
C26 C25 C24 119.1(7) . . ?
C26 C25 H25 120.5 . . ?
C24 C25 H25 120.5 . . ?
C25 C26 C27 120.6(9) . . ?
C25 C26 H26 119.7 . . ?
C27 C26 H26 119.7 . . ?
C22 C27 C26 120.9(8) . . ?
C22 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?
C29 C28 C33 122.2(7) . . ?
C29 C28 P2 121.0(5) . . ?
C33 C28 P2 116.4(7) . . ?
C28 C29 C30 118.4(9) . . ?
C28 C29 H29 120.8 . . ?
C30 C29 H29 120.8 . . ?
C29 C30 C31B 119.6(11) . . ?
C29 C30 H30 120.2 . . ?
C31B C30 H30 120.2 . . ?
C32 C31B C30 120.4(8) . . ?
C32 C31B H31B 119.8 . . ?
C30 C31B H31B 119.8 . . ?
C31B C32 C33 122.8(10) . . ?
C31B C32 H32 118.6 . . ?
C33 C32 H32 118.6 . . ?
C32 C33 C28 116.1(10) . . ?
C32 C33 H33 122.0 . . ?
C28 C33 H33 122.0 . . ?
C39 C34 N1 119.8(5) . . ?
C39 C34 C35 117.6(6) . . ?
N1 C34 C35 122.5(6) . . ?
C36 C35 C34 119.1(7) . . ?
C36 C35 H35 120.4 . . ?
C34 C35 H35 120.4 . . ?
C37 C36 C35 122.9(7) . . ?
C37 C36 H36 118.5 . . ?
C35 C36 H36 118.5 . . ?
C36 C37 C38 117.7(7) . . ?
C36 C37 C40 121.8(8) . . ?
C38 C37 C40 120.5(9) . . ?
C39 C38 C37 120.9(7) . . ?
C39 C38 H38 119.5 . . ?
C37 C38 H38 119.5 . . ?
C34 C39 C38 121.6(6) . . ?
C34 C39 H39 119.2 . . ?
C38 C39 H39 119.2 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C42 C41 C46 118.1(6) . . ?
C42 C41 P3 122.5(5) . . ?
C46 C41 P3 119.4(5) . . ?
C43 C42 C41 121.2(6) . . ?
C43 C42 H42 119.4 . . ?
C41 C42 H42 119.4 . . ?
C42 C43 C44 120.6(6) . . ?
C42 C43 H43 119.7 . . ?
C44 C43 H43 119.7 . . ?
C43 C44 C45 118.8(6) . . ?
C43 C44 H44 120.6 . . ?
C45 C44 H44 120.6 . . ?
C46 C45 C44 120.4(6) . . ?
C46 C45 H45 119.8 . . ?
C44 C45 H45 119.8 . . ?
C45 C46 C41 120.8(6) . . ?
C45 C46 H46 119.6 . . ?
C41 C46 H46 119.6 . . ?
C52 C47 C48 117.0(7) . . ?
C52 C47 P3 118.0(5) . . ?
C48 C47 P3 125.0(6) . . ?
C49 C48 C47 121.9(8) . . ?
C49 C48 H48 119.0 . . ?
C47 C48 H48 119.0 . . ?
C48 C49 C50 120.6(7) . . ?
C48 C49 H49 119.7 . . ?
C50 C49 H49 119.7 . . ?
C49 C50 C51 120.1(8) . . ?
C49 C50 H50 120.0 . . ?
C51 C50 H50 120.0 . . ?
C52 C51 C50 119.2(8) . . ?
C52 C51 H51 120.4 . . ?
C50 C51 H51 120.4 . . ?
C51 C52 C47 121.2(6) . . ?
C51 C52 H52 119.4 . . ?
C47 C52 H52 119.4 . . ?
C54 C53 C58 118.6(6) . . ?
C54 C53 N2 124.0(6) . . ?
C58 C53 N2 117.3(5) . . ?
C55 C54 C53 119.1(6) . . ?
C55 C54 H54 120.5 . . ?
C53 C54 H54 120.5 . . ?
C54 C55 C56 123.3(6) . . ?
C54 C55 H55 118.3 . . ?
C56 C55 H55 118.3 . . ?
C57 C56 C55 116.1(7) . . ?
C57 C56 C59B 120.8(9) . . ?
C55 C56 C59B 123.0(8) . . ?
C58 C57 C56 121.8(8) . . ?
C58 C57 H57 119.1 . . ?
C56 C57 H57 119.1 . . ?
C57 C58 C53 121.0(6) . . ?
C57 C58 H58 119.5 . . ?
C53 C58 H58 119.5 . . ?
C56 C59B H59A 109.5 . . ?
C56 C59B H59B 109.5 . . ?
H59A C59B H59B 109.5 . . ?
C56 C59B H59C 109.5 . . ?
H59A C59B H59C 109.5 . . ?
H59B C59B H59C 109.5 . . ?
C15 C17A C16A 113.7(9) . . ?
C15 C17A C21A 126.2(9) . . ?
C16A C17A C21A 120.0 . . ?
C18A C16A C17A 120.0 . . ?
C18A C16A H16A 120.0 . . ?
C17A C16A H16A 120.0 . . ?
C16A C18A C19A 120.0 . . ?
C16A C18A H18A 120.0 . . ?
C19A C18A H18A 120.0 . . ?
C20A C19A C18A 120.0 . . ?
C20A C19A H19A 120.0 . . ?
C18A C19A H19A 120.0 . . ?
C19A C20A C21A 120.0 . . ?
C19A C20A H20A 120.0 . . ?
C21A C20A H20A 120.0 . . ?
C20A C21A C17A 120.0 . . ?
C20A C21A H21A 120.0 . . ?
C17A C21A H21A 120.0 . . ?
C17B C16B C21B 120.4(16) . . ?
C17B C16B C15 129.5(14) . . ?
C21B C16B C15 108.3(13) . . ?
C16B C17B C18B 121.5(15) . . ?
C16B C17B H17B 119.3 . . ?
C18B C17B H17B 119.3 . . ?
C19B C18B C17B 117.1(14) . . ?
C19B C18B H18B 121.4 . . ?
C17B C18B H18B 121.4 . . ?
C20B C19B C18B 122.0(14) . . ?
C20B C19B H19B 119.0 . . ?
C18B C19B H19B 119.0 . . ?
C19B C20B C21B 120.8(13) . . ?
C19B C20B H20B 119.6 . . ?
C21B C20B H20B 119.6 . . ?
C20B C21B C16B 118.2(13) . . ?
C20B C21B H21B 120.9 . . ?
C16B C21B H21B 120.9 . . ?
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 C13 2.024(5) . ?
Rh1 P1 2.2432(16) . ?
Rh1 N1 2.248(5) . ?
Rh1 P3 2.3173(14) . ?
Rh1 Br2 2.5653(7) . ?
Rh1 Br1 2.6120(6) . ?
Rh1 P2 2.8775(14) . ?
P1 O1 1.659(5) . ?
P1 C7 1.813(9) . ?
P1 C1 1.829(6) . ?
P2 N1 1.619(5) . ?
P2 C13 1.735(7) . ?
P2 C28 1.820(7) . ?
P2 C22 1.827(7) . ?
P3 N2 1.702(5) . ?
P3 C47 1.808(7) . ?
P3 C41 1.826(7) . ?
O1 C14 1.370(9) . ?
N1 C34 1.396(8) . ?
N2 C53 1.417(8) . ?
N2 H2 0.8800 . ?
C1 C6 1.532(7) . ?
C1 C2 1.536(8) . ?
C1 H1 1.0000 . ?
C2 C3 1.527(10) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.494(9) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.518(9) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.535(8) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C12 1.504(13) . ?
C7 C8 1.539(11) . ?
C7 H7 1.0000 . ?
C8 C9A 1.410(18) . ?
C8 C9B 1.91(3) . ?
C8 H8BC 0.9900 . ?
C8 H8BD 0.9900 . ?
C8 H8AA 0.9900 . ?
C8 H8AB 0.9900 . ?
C9A C10A 1.47(3) . ?
C9A H9AA 0.9900 . ?
C9A H9AB 0.9900 . ?
C10A C11A 1.56(2) . ?
C10A H10A 0.9900 . ?
C10A H10B 0.9900 . ?
C11A C12 1.58(2) . ?
C11A H11A 0.9900 . ?
C11A H11B 0.9900 . ?
C9B C10B 1.51(4) . ?
C9B H9BA 0.9900 . ?
C9B H9BB 0.9900 . ?
C10B C11B 1.49(3) . ?
C10B H10C 0.9900 . ?
C10B H10D 0.9900 . ?
C11B C12 1.52(2) . ?
C11B H11C 0.9900 . ?
C11B H11D 0.9900 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 H12C 0.9900 . ?
C12 H12D 0.9900 . ?
C13 C14 1.339(10) . ?
C14 C15 1.514(8) . ?
C15 C17A 1.365(13) . ?
C15 C16B 1.60(2) . ?
C15 H15C 0.9900 . ?
C15 H15D 0.9900 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C22 C27 1.359(12) . ?
C22 C23 1.384(11) . ?
C23 C24 1.375(12) . ?
C23 H23 0.9500 . ?
C24 C25 1.372(15) . ?
C24 H24 0.9500 . ?
C25 C26 1.356(14) . ?
C25 H25 0.9500 . ?
C26 C27 1.387(10) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 C29 1.371(12) . ?
C28 C33 1.431(11) . ?
C29 C30 1.394(10) . ?
C29 H29 0.9500 . ?
C30 C31B 1.404(17) . ?
C30 H30 0.9500 . ?
C31B C32 1.335(17) . ?
C31B H31B 0.9500 . ?
C32 C33 1.384(13) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C34 C39 1.387(9) . ?
C34 C35 1.409(9) . ?
C35 C36 1.403(10) . ?
C35 H35 0.9500 . ?
C36 C37 1.359(12) . ?
C36 H36 0.9500 . ?
C37 C38 1.390(11) . ?
C37 C40 1.519(11) . ?
C38 C39 1.389(9) . ?
C38 H38 0.9500 . ?
C39 H39 0.9500 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.393(8) . ?
C41 C46 1.403(8) . ?
C42 C43 1.381(9) . ?
C42 H42 0.9500 . ?
C43 C44 1.388(9) . ?
C43 H43 0.9500 . ?
C44 C45 1.403(10) . ?
C44 H44 0.9500 . ?
C45 C46 1.381(9) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C47 C52 1.397(9) . ?
C47 C48 1.414(8) . ?
C48 C49 1.345(11) . ?
C48 H48 0.9500 . ?
C49 C50 1.369(13) . ?
C49 H49 0.9500 . ?
C50 C51 1.401(11) . ?
C50 H50 0.9500 . ?
C51 C52 1.383(10) . ?
C51 H51 0.9500 . ?
C52 H52 0.9500 . ?
C53 C54 1.394(8) . ?
C53 C58 1.395(9) . ?
C54 C55 1.385(10) . ?
C54 H54 0.9500 . ?
C55 C56 1.396(13) . ?
C55 H55 0.9500 . ?
C56 C57 1.395(11) . ?
C56 C59B 1.489(12) . ?
C57 C58 1.375(10) . ?
C57 H57 0.9500 . ?
C58 H58 0.9500 . ?
C59B H59A 0.9800 . ?
C59B H59B 0.9800 . ?
C59B H59C 0.9800 . ?
C17A C16A 1.3900 . ?
C17A C21A 1.3900 . ?
C16A C18A 1.3900 . ?
C16A H16A 0.9500 . ?
C18A C19A 1.3900 . ?
C18A H18A 0.9500 . ?
C19A C20A 1.3900 . ?
C19A H19A 0.9500 . ?
C20A C21A 1.3900 . ?
C20A H20A 0.9500 . ?
C21A H21A 0.9500 . ?
C16B C17B 1.35(2) . ?
C16B C21B 1.38(2) . ?
C17B C18B 1.38(2) . ?
C17B H17B 0.9500 . ?
C18B C19B 1.36(2) . ?
C18B H18B 0.9500 . ?
C19B C20B 1.36(2) . ?
C19B H19B 0.9500 . ?
C20B C21B 1.36(2) . ?
C20B H20B 0.9500 . ?
C21B H21B 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
C7 P1 O1 C14 -101.1(7) . . . . ?
C1 P1 O1 C14 146.5(6) . . . . ?
Rh1 P1 O1 C14 19.5(7) . . . . ?
C13 P2 N1 C34 162.9(5) . . . . ?
C28 P2 N1 C34 -79.8(5) . . . . ?
C22 P2 N1 C34 45.1(6) . . . . ?
Rh1 P2 N1 C34 157.6(6) . . . . ?
C13 P2 N1 Rh1 5.3(3) . . . . ?
C28 P2 N1 Rh1 122.6(2) . . . . ?
C22 P2 N1 Rh1 -112.5(3) . . . . ?
C47 P3 N2 C53 21.3(6) . . . . ?
C41 P3 N2 C53 -88.5(6) . . . . ?
Rh1 P3 N2 C53 143.6(5) . . . . ?
O1 P1 C1 C6 163.6(5) . . . . ?
C7 P1 C1 C6 58.4(5) . . . . ?
Rh1 P1 C1 C6 -84.7(5) . . . . ?
O1 P1 C1 C2 34.9(6) . . . . ?
C7 P1 C1 C2 -70.3(6) . . . . ?
Rh1 P1 C1 C2 146.6(4) . . . . ?
C6 C1 C2 C3 57.6(7) . . . . ?
P1 C1 C2 C3 -172.2(5) . . . . ?
C1 C2 C3 C4 -54.5(8) . . . . ?
C2 C3 C4 C5 53.4(8) . . . . ?
C3 C4 C5 C6 -54.9(8) . . . . ?
C2 C1 C6 C5 -59.1(7) . . . . ?
P1 C1 C6 C5 169.2(4) . . . . ?
C4 C5 C6 C1 57.4(7) . . . . ?
O1 P1 C7 C12 177.1(6) . . . . ?
C1 P1 C7 C12 -77.5(6) . . . . ?
Rh1 P1 C7 C12 68.0(7) . . . . ?
O1 P1 C7 C8 -46.1(8) . . . . ?
C1 P1 C7 C8 59.3(8) . . . . ?
Rh1 P1 C7 C8 -155.3(6) . . . . ?
C12 C7 C8 C9A -68.4(14) . . . . ?
P1 C7 C8 C9A 154.3(12) . . . . ?
C12 C7 C8 C9B -44.2(13) . . . . ?
P1 C7 C8 C9B 178.5(11) . . . . ?
C7 C8 C9A C10A 57.9(17) . . . . ?
C8 C9A C10A C11A -54(2) . . . . ?
C9A C10A C11A C12 55(2) . . . . ?
C8 C9B C10B C11B -47(3) . . . . ?
C9B C10B C11B C12 40(3) . . . . ?
C8 C7 C12 C11B 53.6(17) . . . . ?
P1 C7 C12 C11B -169.3(14) . . . . ?
C8 C7 C12 C11A 61.3(11) . . . . ?
P1 C7 C12 C11A -161.6(9) . . . . ?
C10B C11B C12 C7 -45(3) . . . . ?
C10A C11A C12 C7 -54.2(16) . . . . ?
N1 P2 C13 C14 179.9(9) . . . . ?
C28 P2 C13 C14 62.3(10) . . . . ?
C22 P2 C13 C14 -54.8(10) . . . . ?
Rh1 P2 C13 C14 -174.1(11) . . . . ?
N1 P2 C13 Rh1 -6.0(3) . . . . ?
C28 P2 C13 Rh1 -123.5(3) . . . . ?
C22 P2 C13 Rh1 119.3(3) . . . . ?
P2 C13 C14 O1 178.2(6) . . . . ?
Rh1 C13 C14 O1 4.9(11) . . . . ?
P2 C13 C14 C15 -7.8(16) . . . . ?
Rh1 C13 C14 C15 178.9(8) . . . . ?
P1 O1 C14 C13 -17.6(11) . . . . ?
P1 O1 C14 C15 167.7(7) . . . . ?
C13 C14 C15 C17A 143.8(9) . . . . ?
O1 C14 C15 C17A -42.0(12) . . . . ?
C13 C14 C15 C16B 177.5(11) . . . . ?
O1 C14 C15 C16B -8.3(15) . . . . ?
N1 P2 C22 C27 92.3(6) . . . . ?
C13 P2 C22 C27 -16.9(6) . . . . ?
C28 P2 C22 C27 -138.9(6) . . . . ?
Rh1 P2 C22 C27 30.8(7) . . . . ?
N1 P2 C22 C23 -87.0(7) . . . . ?
C13 P2 C22 C23 163.8(6) . . . . ?
C28 P2 C22 C23 41.7(7) . . . . ?
Rh1 P2 C22 C23 -148.5(5) . . . . ?
C27 C22 C23 C24 -1.7(12) . . . . ?
P2 C22 C23 C24 177.6(7) . . . . ?
C22 C23 C24 C25 4.0(14) . . . . ?
C23 C24 C25 C26 -4.2(13) . . . . ?
C24 C25 C26 C27 2.1(13) . . . . ?
C23 C22 C27 C26 -0.3(11) . . . . ?
P2 C22 C27 C26 -179.7(6) . . . . ?
C25 C26 C27 C22 0.1(12) . . . . ?
N1 P2 C28 C29 -3.3(6) . . . . ?
C13 P2 C28 C29 102.8(6) . . . . ?
C22 P2 C28 C29 -136.3(6) . . . . ?
Rh1 P2 C28 C29 54.6(7) . . . . ?
N1 P2 C28 C33 -177.3(5) . . . . ?
C13 P2 C28 C33 -71.2(6) . . . . ?
C22 P2 C28 C33 49.7(6) . . . . ?
Rh1 P2 C28 C33 -119.5(5) . . . . ?
C33 C28 C29 C30 2.7(10) . . . . ?
P2 C28 C29 C30 -171.0(5) . . . . ?
C28 C29 C30 C31B 2.0(11) . . . . ?
C29 C30 C31B C32 -5.7(15) . . . . ?
C30 C31B C32 C33 4.6(18) . . . . ?
C31B C32 C33 C28 0.1(16) . . . . ?
C29 C28 C33 C32 -3.8(12) . . . . ?
P2 C28 C33 C32 170.2(7) . . . . ?
P2 N1 C34 C39 -153.6(5) . . . . ?
Rh1 N1 C34 C39 -5.5(8) . . . . ?
P2 N1 C34 C35 29.6(8) . . . . ?
Rh1 N1 C34 C35 177.7(5) . . . . ?
C39 C34 C35 C36 2.2(9) . . . . ?
N1 C34 C35 C36 179.0(6) . . . . ?
C34 C35 C36 C37 -0.1(11) . . . . ?
C35 C36 C37 C38 -1.7(12) . . . . ?
C35 C36 C37 C40 178.0(8) . . . . ?
C36 C37 C38 C39 1.5(11) . . . . ?
C40 C37 C38 C39 -178.3(8) . . . . ?
N1 C34 C39 C38 -179.4(6) . . . . ?
C35 C34 C39 C38 -2.5(9) . . . . ?
C37 C38 C39 C34 0.7(10) . . . . ?
N2 P3 C41 C42 -10.2(7) . . . . ?
C47 P3 C41 C42 -121.5(6) . . . . ?
Rh1 P3 C41 C42 111.1(6) . . . . ?
N2 P3 C41 C46 168.9(6) . . . . ?
C47 P3 C41 C46 57.6(7) . . . . ?
Rh1 P3 C41 C46 -69.8(7) . . . . ?
C46 C41 C42 C43 2.0(11) . . . . ?
P3 C41 C42 C43 -178.9(6) . . . . ?
C41 C42 C43 C44 -2.6(11) . . . . ?
C42 C43 C44 C45 1.1(11) . . . . ?
C43 C44 C45 C46 0.9(11) . . . . ?
C44 C45 C46 C41 -1.6(12) . . . . ?
C42 C41 C46 C45 0.1(11) . . . . ?
P3 C41 C46 C45 -179.0(6) . . . . ?
N2 P3 C47 C52 78.9(5) . . . . ?
C41 P3 C47 C52 -170.0(5) . . . . ?
Rh1 P3 C47 C52 -39.7(5) . . . . ?
N2 P3 C47 C48 -100.0(6) . . . . ?
C41 P3 C47 C48 11.1(6) . . . . ?
Rh1 P3 C47 C48 141.5(5) . . . . ?
C52 C47 C48 C49 2.7(10) . . . . ?
P3 C47 C48 C49 -178.4(5) . . . . ?
C47 C48 C49 C50 -0.2(11) . . . . ?
C48 C49 C50 C51 -1.5(12) . . . . ?
C49 C50 C51 C52 0.5(11) . . . . ?
C50 C51 C52 C47 2.2(10) . . . . ?
C48 C47 C52 C51 -3.7(9) . . . . ?
P3 C47 C52 C51 177.3(5) . . . . ?
P3 N2 C53 C54 51.6(8) . . . . ?
P3 N2 C53 C58 -130.7(5) . . . . ?
C58 C53 C54 C55 0.9(10) . . . . ?
N2 C53 C54 C55 178.6(6) . . . . ?
C53 C54 C55 C56 -0.1(12) . . . . ?
C54 C55 C56 C57 0.2(13) . . . . ?
C54 C55 C56 C59B 175.8(9) . . . . ?
C55 C56 C57 C58 -1.2(13) . . . . ?
C59B C56 C57 C58 -176.9(9) . . . . ?
C56 C57 C58 C53 2.2(13) . . . . ?
C54 C53 C58 C57 -2.0(11) . . . . ?
N2 C53 C58 C57 -179.8(7) . . . . ?
C14 C15 C17A C16A -83.8(9) . . . . ?
C14 C15 C17A C21A 93.6(10) . . . . ?
C15 C17A C16A C18A 177.6(8) . . . . ?
C21A C17A C16A C18A 0.0 . . . . ?
C17A C16A C18A C19A 0.0 . . . . ?
C16A C18A C19A C20A 0.0 . . . . ?
C18A C19A C20A C21A 0.0 . . . . ?
C19A C20A C21A C17A 0.0 . . . . ?
C15 C17A C21A C20A -177.3(9) . . . . ?
C16A C17A C21A C20A 0.0 . . . . ?
C14 C15 C16B C17B -130.4(16) . . . . ?
C14 C15 C16B C21B 65.1(15) . . . . ?
C21B C16B C17B C18B 1(2) . . . . ?
C15 C16B C17B C18B -161.8(15) . . . . ?
C16B C17B C18B C19B -2(2) . . . . ?
C17B C18B C19B C20B 1(2) . . . . ?
C18B C19B C20B C21B 1(2) . . . . ?
C19B C20B C21B C16B -2(2) . . . . ?
C17B C16B C21B C20B 1(2) . . . . ?
C15 C16B C21B C20B 167.3(11) . . . . ?
