#------------------------------------------------------------------------------
#$Date: 2025-10-06 11:41:27 +0200 (Mon 06 de Oct de 2025) $
#$Revision: 302673 $
#$URL: svn://www.crystallography.net/cod/cif/7/71/91/7719163.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_7719163
loop_
_publ_author_name
'Kushik, ?'
'Rippke, Mirko'
'Drexler, Hans-Joachim'
'Dankert, Fabian'
'Hering-Junghans, Christian'
'Beweries, Torsten'
_publ_section_title
;
 Coordination and C-H activation of an amidobis(phosphaalkene) ligand at
 rhodium(I).
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12913
_journal_page_last               12918
_journal_paper_doi               10.1039/d5dt01734c
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C53 H70 N O P2 Rh, 2 (C4 H8 O)'
_chemical_formula_sum            'C61 H86 N O3 P2 Rh'
_chemical_formula_weight         1046.15
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2025-07-22 deposited with the CCDC.	2025-07-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 134.8850(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   29.3092(7)
_cell_length_b                   26.2531(7)
_cell_length_c                   20.7568(5)
_cell_measurement_reflns_used    87775
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.55
_cell_measurement_theta_min      1.55
_cell_volume                     11316.2(5)
_computing_cell_refinement       X-AREA
_computing_data_collection       'X-AREA (Stoe & Cie, 2012)'
_computing_data_reduction        X-AREA
_computing_molecular_graphics    'ORTEP-3v2020.1 (Farrugia, 2020)'
_computing_publication_material  'SHELXL-2019/3 (Sheldrick, 2019)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT-2019/1 (Sheldrick, 2019)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'STOE-IPDS II'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0526
_diffrn_reflns_av_unetI/netI     0.0289
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            108230
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.274
_diffrn_reflns_theta_min         1.961
_exptl_absorpt_coefficient_mu    0.402
_exptl_absorpt_correction_T_max  0.8551
_exptl_absorpt_correction_T_min  0.7852
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'LANA (Stoe & Cie, 2012)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.228
_exptl_crystal_description       plate
_exptl_crystal_F_000             4464
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.895
_refine_diff_density_min         -0.738
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     611
_refine_ls_number_reflns         15254
_refine_ls_number_restraints     60
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0556
_refine_ls_R_factor_gt           0.0396
_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)+(0.0644P)²+5.2716P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1063
_refine_ls_wR_factor_ref         0.1122
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11561
_reflns_number_total             15254
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt01734c3.cif
_cod_data_source_block           KS1681_MesStar2_PNP_Rh_CO
_cod_depositor_comments
'Adding full bibliography for 7719162--7719167.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7719163
_shelx_shelxl_version_number     2019/3
_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   0.917
_shelx_estimated_absorpt_t_max   0.953
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
C53 C 0.66273(11) 0.62509(10) 0.57556(15) 0.0451(5) Uani 1 1 d . . . . .
P1 P 0.65359(2) 0.66035(2) 0.69641(3) 0.03149(11) Uani 1 1 d . . . . .
P2 P 0.79283(2) 0.58967(2) 0.69644(3) 0.03141(11) Uani 1 1 d . . . . .
N1 N 0.79644(7) 0.62502(6) 0.84291(10) 0.0269(3) Uani 1 1 d . . . . .
Rh1 Rh 0.72515(2) 0.62501(2) 0.70029(2) 0.02915(5) Uani 1 1 d . . . . .
O1 O 0.62413(10) 0.62503(8) 0.49810(11) 0.0662(6) Uani 1 1 d . . . . .
C1 C 0.79042(10) 0.64242(7) 0.89994(13) 0.0310(4) Uani 1 1 d . . . . .
C2 C 0.84904(10) 0.63589(8) 0.99293(14) 0.0351(4) Uani 1 1 d . . . . .
C3 C 0.85639(12) 0.64946(9) 1.06453(15) 0.0436(5) Uani 1 1 d . . . . .
H3 H 0.896359 0.644077 1.125559 0.052 Uiso 1 1 calc R U . . .
C4 C 0.80515(13) 0.67085(9) 1.04647(16) 0.0443(5) Uani 1 1 d . . . . .
C5 C 0.74809(12) 0.67862(8) 0.95671(15) 0.0397(5) Uani 1 1 d . . . . .
H5 H 0.713397 0.693896 0.944867 0.048 Uiso 1 1 calc R U . . .
C6 C 0.73789(10) 0.66525(7) 0.88090(14) 0.0326(4) Uani 1 1 d . . . . .
C7 C 0.81178(16) 0.68512(11) 1.12329(19) 0.0599(7) Uani 1 1 d . . . . .
H7A H 0.777248 0.708764 1.100778 0.090 Uiso 1 1 calc R U . . .
H7B H 0.853607 0.701485 1.172016 0.090 Uiso 1 1 calc R U . . .
H7C H 0.808783 0.654371 1.146903 0.090 Uiso 1 1 calc R U . . .
C8 C 0.85963(9) 0.60751(8) 0.90026(13) 0.0312(4) Uani 1 1 d . . . . .
C9 C 0.89369(10) 0.61399(8) 0.99279(14) 0.0356(4) Uani 1 1 d . . . . .
C10 C 0.95815(10) 0.60050(9) 1.06469(15) 0.0439(5) Uani 1 1 d . . . . .
H10 H 0.979190 0.605911 1.125713 0.053 Uiso 1 1 calc R U . . .
C11 C 0.99137(10) 0.57911(9) 1.04651(16) 0.0445(5) Uani 1 1 d . . . . .
C12 C 0.95860(10) 0.57138(8) 0.95679(15) 0.0393(5) Uani 1 1 d . . . . .
H12 H 0.981370 0.556059 0.944829 0.047 Uiso 1 1 calc R U . . .
C13 C 0.89320(9) 0.58480(8) 0.88123(13) 0.0324(4) Uani 1 1 d . . . . .
C14 C 1.06143(11) 0.56502(11) 1.12338(18) 0.0604(7) Uani 1 1 d . . . . .
H14A H 1.068178 0.548368 1.171820 0.091 Uiso 1 1 calc R U . . .
H14B H 1.087894 0.595868 1.147354 0.091 Uiso 1 1 calc R U . . .
H14C H 1.073729 0.541671 1.100919 0.091 Uiso 1 1 calc R U . . .
C15 C 0.67541(10) 0.67507(8) 0.79309(14) 0.0345(4) Uani 1 1 d . . . . .
H15 H 0.644514 0.690872 0.789513 0.041 Uiso 1 1 calc R U . . .
C16 C 0.86750(9) 0.57491(8) 0.79291(14) 0.0339(4) Uani 1 1 d . . . . .
H16 H 0.894673 0.558989 0.789166 0.041 Uiso 1 1 calc R U . . .
C17 C 0.56704(9) 0.67252(8) 0.60241(14) 0.0327(4) Uani 1 1 d . . . . .
C18 C 0.52303(10) 0.63472(8) 0.58104(16) 0.0399(5) Uani 1 1 d . . . . .
C19 C 0.45741(11) 0.64709(9) 0.51411(18) 0.0481(6) Uani 1 1 d . . . . .
H19 H 0.427642 0.622624 0.500267 0.058 Uiso 1 1 calc R U . . .
C20 C 0.43333(11) 0.69247(9) 0.46710(18) 0.0484(6) Uani 1 1 d . . . . .
C21 C 0.47732(10) 0.72755(9) 0.48811(16) 0.0421(5) Uani 1 1 d . . . . .
H21 H 0.461463 0.758884 0.455793 0.050 Uiso 1 1 calc R U . . .
C22 C 0.54389(9) 0.71954(8) 0.55428(14) 0.0336(4) Uani 1 1 d . . . . .
C23 C 0.54079(11) 0.58012(9) 0.62342(18) 0.0481(6) Uani 1 1 d D . . . .
C24 C 0.47949(12) 0.54870(10) 0.5765(2) 0.0655(8) Uani 1 1 d D . . . .
H24A H 0.491716 0.514187 0.601895 0.098 Uiso 1 1 calc R U . . .
H24B H 0.452838 0.546944 0.511051 0.098 Uiso 1 1 calc R U . . .
H24C H 0.455025 0.565027 0.586827 0.098 Uiso 1 1 calc R U . . .
C25 C 0.57799(15) 0.58008(12) 0.7242(2) 0.0675(8) Uani 1 1 d D . . . .
H25A H 0.579484 0.545377 0.743053 0.101 Uiso 1 1 calc R U . . .
H25B H 0.556342 0.602523 0.733567 0.101 Uiso 1 1 calc R U . . .
H25C H 0.621952 0.592327 0.760612 0.101 Uiso 1 1 calc R U . . .
C26 C 0.57727(14) 0.55028(10) 0.6078(2) 0.0638(8) Uani 1 1 d D . . . .
H26A H 0.619689 0.565742 0.643350 0.096 Uiso 1 1 calc R U . . .
H26B H 0.552827 0.551165 0.543112 0.096 Uiso 1 1 calc R U . . .
H26C H 0.582610 0.514869 0.627094 0.096 Uiso 1 1 calc R U . . .
C31 C 0.58581(10) 0.76458(8) 0.57065(14) 0.0363(4) Uani 1 1 d . . . . .
C32 C 0.62040(14) 0.79021(10) 0.66137(18) 0.0519(6) Uani 1 1 d . . . . .
H32A H 0.651269 0.766301 0.711134 0.078 Uiso 1 1 calc R U . . .
H32B H 0.588803 0.800331 0.662534 0.078 Uiso 1 1 calc R U . . .
H32C H 0.643322 0.820431 0.668662 0.078 Uiso 1 1 calc R U . . .
C33 C 0.63491(12) 0.74835(10) 0.56857(18) 0.0488(6) Uani 1 1 d . . . . .
H33A H 0.657017 0.778533 0.573778 0.073 Uiso 1 1 calc R U . . .
H33B H 0.612668 0.730866 0.511122 0.073 Uiso 1 1 calc R U . . .
H33C H 0.666496 0.725259 0.619475 0.073 Uiso 1 1 calc R U . . .
C34 C 0.54446(12) 0.80598(10) 0.49670(18) 0.0514(6) Uani 1 1 d . . . . .
H34A H 0.572607 0.832463 0.507004 0.077 Uiso 1 1 calc R U . . .
H34B H 0.515301 0.821142 0.499422 0.077 Uiso 1 1 calc R U . . .
H34C H 0.519220 0.790636 0.436692 0.077 Uiso 1 1 calc R U . . .
C35 C 0.78523(10) 0.57749(8) 0.60208(14) 0.0329(4) Uani 1 1 d . . . . .
C36 C 0.76032(10) 0.53042(8) 0.55415(14) 0.0337(4) Uani 1 1 d . . . . .
C37 C 0.76083(12) 0.52235(9) 0.48814(16) 0.0418(5) Uani 1 1 d . . . . .
H37 H 0.744689 0.490918 0.456133 0.050 Uiso 1 1 calc R U . . .
C38 C 0.78355(13) 0.55763(9) 0.46687(18) 0.0475(6) Uani 1 1 d . . . . .
C39 C 0.80652(13) 0.60284(9) 0.51381(18) 0.0480(6) Uani 1 1 d . . . . .
H39 H 0.822456 0.627251 0.499906 0.058 Uiso 1 1 calc R U . . .
C40 C 0.80799(11) 0.61534(8) 0.58109(16) 0.0392(5) Uani 1 1 d . . . . .
C41 C 0.73496(10) 0.48541(8) 0.57066(14) 0.0362(4) Uani 1 1 d . . . . .
C42 C 0.70223(13) 0.44405(9) 0.49651(18) 0.0508(6) Uani 1 1 d . . . . .
H42A H 0.734381 0.427998 0.500571 0.076 Uiso 1 1 calc R U . . .
H42B H 0.668553 0.459672 0.436433 0.076 Uiso 1 1 calc R U . . .
H42C H 0.682994 0.418221 0.505476 0.076 Uiso 1 1 calc R U . . .
C43 C 0.79087(12) 0.45962(9) 0.66117(17) 0.0505(6) Uani 1 1 d . . . . .
H43A H 0.810536 0.483721 0.710973 0.076 Uiso 1 1 calc R U . . .
H43B H 0.823095 0.448646 0.661695 0.076 Uiso 1 1 calc R U . . .
H43C H 0.774897 0.429917 0.668967 0.076 Uiso 1 1 calc R U . . .
C44 C 0.68360(12) 0.50162(10) 0.56878(18) 0.0489(6) Uani 1 1 d . . . . .
H44A H 0.666031 0.471320 0.572538 0.073 Uiso 1 1 calc R U . . .
H44B H 0.648860 0.519836 0.512026 0.073 Uiso 1 1 calc R U . . .
H44C H 0.703175 0.524012 0.620587 0.073 Uiso 1 1 calc R U . . .
C49 C 0.83258(14) 0.66991(9) 0.62320(18) 0.0484(6) Uani 1 1 d . . . . .
C50 C 0.89608(16) 0.66976(12) 0.7240(2) 0.0683(8) Uani 1 1 d . . . . .
H50A H 0.913507 0.704423 0.742977 0.102 Uiso 1 1 calc R U . . .
H50B H 0.926980 0.647282 0.733175 0.102 Uiso 1 1 calc R U . . .
H50C H 0.888400 0.657466 0.760220 0.102 Uiso 1 1 calc R U . . .
C51 C 0.78050(17) 0.69983(10) 0.6078(2) 0.0634(8) Uani 1 1 d . . . . .
H51A H 0.773853 0.684500 0.643703 0.095 Uiso 1 1 calc R U . . .
H51B H 0.740111 0.698769 0.543155 0.095 Uiso 1 1 calc R U . . .
H51C H 0.794298 0.735292 0.626672 0.095 Uiso 1 1 calc R U . . .
C52 C 0.84746(18) 0.70140(10) 0.5770(2) 0.0658(8) Uani 1 1 d . . . . .
H52A H 0.860807 0.735816 0.602794 0.099 Uiso 1 1 calc R U . . .
H52B H 0.808814 0.703393 0.511528 0.099 Uiso 1 1 calc R U . . .
H52C H 0.882225 0.684972 0.587399 0.099 Uiso 1 1 calc R U . . .
C45A C 0.7952(4) 0.5415(3) 0.4084(6) 0.052(2) Uani 0.542(7) 1 d D . P A 1
C46A C 0.7525(5) 0.4968(3) 0.3474(6) 0.092(3) Uani 0.542(7) 1 d D . P A 1
H46A H 0.764502 0.466918 0.384929 0.138 Uiso 0.542(7) 1 calc R U P A 1
H46B H 0.707385 0.505470 0.310658 0.138 Uiso 0.542(7) 1 calc R U P A 1
H46C H 0.758220 0.489163 0.307163 0.138 Uiso 0.542(7) 1 calc R U P A 1
C47A C 0.7761(6) 0.5872(4) 0.3494(8) 0.082(3) Uani 0.542(7) 1 d D . P A 1
H47A H 0.731195 0.596156 0.313826 0.123 Uiso 0.542(7) 1 calc R U P A 1
H47B H 0.804009 0.616079 0.388009 0.123 Uiso 0.542(7) 1 calc R U P A 1
H47C H 0.780690 0.579040 0.308158 0.123 Uiso 0.542(7) 1 calc R U P A 1
C48A C 0.8649(4) 0.5292(3) 0.4620(5) 0.092(3) Uani 0.542(7) 1 d D . P A 1
H48A H 0.878776 0.499652 0.501040 0.137 Uiso 0.542(7) 1 calc R U P A 1
H48B H 0.868755 0.521529 0.419794 0.137 Uiso 0.542(7) 1 calc R U P A 1
H48C H 0.892073 0.558569 0.499646 0.137 Uiso 0.542(7) 1 calc R U P A 1
C45B C 0.7741(4) 0.5506(3) 0.3826(6) 0.0373(18) Uani 0.458(7) 1 d D . P A 2
C46B C 0.8128(5) 0.5025(3) 0.4055(6) 0.074(3) Uani 0.458(7) 1 d D . P A 2
H46D H 0.796553 0.473983 0.415133 0.111 Uiso 0.458(7) 1 calc R U P A 2
H46E H 0.808199 0.494421 0.355042 0.111 Uiso 0.458(7) 1 calc R U P A 2
H46F H 0.858293 0.508262 0.460870 0.111 Uiso 0.458(7) 1 calc R U P A 2
C47B C 0.7048(3) 0.5411(3) 0.2935(4) 0.071(3) Uani 0.458(7) 1 d D . P A 2
H47D H 0.686849 0.513233 0.301327 0.106 Uiso 0.458(7) 1 calc R U P A 2
H47E H 0.679409 0.572098 0.275319 0.106 Uiso 0.458(7) 1 calc R U P A 2
H47F H 0.703399 0.531993 0.246353 0.106 Uiso 0.458(7) 1 calc R U P A 2
C48B C 0.8001(4) 0.5936(5) 0.3681(8) 0.0466(19) Uani 0.458(7) 1 d D . P A 2
H48D H 0.844920 0.600368 0.424892 0.070 Uiso 0.458(7) 1 calc R U P A 2
H48E H 0.798185 0.584161 0.320548 0.070 Uiso 0.458(7) 1 calc R U P A 2
H48F H 0.774195 0.624266 0.349514 0.070 Uiso 0.458(7) 1 calc R U P A 2
C27A C 0.3633(5) 0.7081(3) 0.4087(6) 0.050(2) Uani 0.536(7) 1 d D . P B 1
C28A C 0.3474(3) 0.7200(3) 0.4633(5) 0.091(3) Uani 0.536(7) 1 d D . P B 1
H28A H 0.372791 0.749441 0.502785 0.137 Uiso 0.536(7) 1 calc R U P B 1
H28B H 0.301467 0.727827 0.421460 0.137 Uiso 0.536(7) 1 calc R U P B 1
H28C H 0.357911 0.690467 0.500564 0.137 Uiso 0.536(7) 1 calc R U P B 1
C29A C 0.3451(3) 0.7532(3) 0.3479(6) 0.092(3) Uani 0.536(7) 1 d D . P B 1
H29A H 0.370639 0.783031 0.385696 0.137 Uiso 0.536(7) 1 calc R U P B 1
H29B H 0.353717 0.744725 0.311297 0.137 Uiso 0.536(7) 1 calc R U P B 1
H29C H 0.299210 0.760825 0.307541 0.137 Uiso 0.536(7) 1 calc R U P B 1
C30A C 0.3234(6) 0.6627(4) 0.3489(9) 0.083(4) Uani 0.536(7) 1 d D . P B 1
H30A H 0.334559 0.633396 0.387033 0.124 Uiso 0.536(7) 1 calc R U P B 1
H30B H 0.277606 0.670712 0.308602 0.124 Uiso 0.536(7) 1 calc R U P B 1
H30C H 0.332112 0.654613 0.312358 0.124 Uiso 0.536(7) 1 calc R U P B 1
C27B C 0.3582(5) 0.6997(3) 0.3818(6) 0.0372(18) Uani 0.464(7) 1 d D . P B 2
C28B C 0.3182(6) 0.6562(5) 0.3681(8) 0.0466(19) Uani 0.464(7) 1 d D . P B 2
H28D H 0.330190 0.649695 0.424901 0.070 Uiso 0.464(7) 1 calc R U P B 2
H28E H 0.272468 0.665259 0.320247 0.070 Uiso 0.464(7) 1 calc R U P B 2
H28F H 0.326039 0.625593 0.350069 0.070 Uiso 0.464(7) 1 calc R U P B 2
C29B C 0.3432(3) 0.7474(3) 0.4061(6) 0.077(3) Uani 0.464(7) 1 d D . P B 2
H29D H 0.355618 0.741912 0.463473 0.115 Uiso 0.464(7) 1 calc R U P B 2
H29E H 0.367293 0.776328 0.412552 0.115 Uiso 0.464(7) 1 calc R U P B 2
H29F H 0.296914 0.754623 0.357686 0.115 Uiso 0.464(7) 1 calc R U P B 2
C30B C 0.3387(3) 0.7089(3) 0.2933(4) 0.068(2) Uani 0.464(7) 1 d D . P B 2
H30D H 0.364142 0.736989 0.300881 0.102 Uiso 0.464(7) 1 calc R U P B 2
H30E H 0.346413 0.677966 0.275679 0.102 Uiso 0.464(7) 1 calc R U P B 2
H30F H 0.292843 0.717632 0.245857 0.102 Uiso 0.464(7) 1 calc R U P B 2
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'
N N 0.0061 0.0033 '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'
O O 0.0106 0.0060 '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
O1 C53 Rh1 179.7(2) . . ?
C15 P1 C17 107.97(10) . . ?
C15 P1 Rh1 119.91(7) . . ?
C17 P1 Rh1 131.85(7) . . ?
C16 P2 C35 108.05(10) . . ?
C16 P2 Rh1 119.95(7) . . ?
C35 P2 Rh1 131.74(7) . . ?
C1 N1 C8 105.74(15) . . ?
C1 N1 Rh1 127.06(13) . . ?
C8 N1 Rh1 127.20(13) . . ?
C53 Rh1 N1 179.91(10) . . ?
C53 Rh1 P2 88.64(7) . . ?
N1 Rh1 P2 91.44(4) . . ?
C53 Rh1 P1 88.45(7) . . ?
N1 Rh1 P1 91.47(4) . . ?
P2 Rh1 P1 177.093(19) . . ?
N1 C1 C2 110.95(17) . . ?
N1 C1 C6 131.57(18) . . ?
C2 C1 C6 117.47(18) . . ?
C3 C2 C1 123.2(2) . . ?
C3 C2 C9 130.8(2) . . ?
C1 C2 C9 106.03(17) . . ?
C4 C3 C2 119.6(2) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C5 C4 C3 118.30(19) . . ?
C5 C4 C7 121.2(2) . . ?
C3 C4 C7 120.5(2) . . ?
C4 C5 C6 124.3(2) . . ?
C4 C5 H5 117.8 . . ?
C6 C5 H5 117.8 . . ?
C5 C6 C1 117.04(19) . . ?
C5 C6 C15 116.57(19) . . ?
C1 C6 C15 126.37(18) . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 C9 110.99(17) . . ?
N1 C8 C13 131.46(18) . . ?
C9 C8 C13 117.54(18) . . ?
C10 C9 C8 123.2(2) . . ?
C10 C9 C2 130.6(2) . . ?
C8 C9 C2 106.28(17) . . ?
C11 C10 C9 119.5(2) . . ?
C11 C10 H10 120.2 . . ?
C9 C10 H10 120.2 . . ?
C12 C11 C10 118.2(2) . . ?
C12 C11 C14 121.5(2) . . ?
C10 C11 C14 120.3(2) . . ?
C11 C12 C13 124.4(2) . . ?
C11 C12 H12 117.8 . . ?
C13 C12 H12 117.8 . . ?
C12 C13 C8 117.13(19) . . ?
C12 C13 C16 116.75(19) . . ?
C8 C13 C16 126.11(18) . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C6 C15 P1 123.58(15) . . ?
C6 C15 H15 118.2 . . ?
P1 C15 H15 118.2 . . ?
C13 C16 P2 123.80(15) . . ?
C13 C16 H16 118.1 . . ?
P2 C16 H16 118.1 . . ?
C22 C17 C18 120.40(17) . . ?
C22 C17 P1 120.98(15) . . ?
C18 C17 P1 118.56(15) . . ?
C19 C18 C17 117.01(19) . . ?
C19 C18 C23 116.65(19) . . ?
C17 C18 C23 126.32(18) . . ?
C20 C19 C18 124.1(2) . . ?
C20 C19 H19 117.9 . . ?
C18 C19 H19 117.9 . . ?
C19 C20 C21 117.1(2) . . ?
C19 C20 C27A 121.6(4) . . ?
C21 C20 C27A 120.2(4) . . ?
C19 C20 C27B 120.5(4) . . ?
C21 C20 C27B 121.6(4) . . ?
C20 C21 C22 123.7(2) . . ?
C20 C21 H21 118.2 . . ?
C22 C21 H21 118.2 . . ?
C21 C22 C17 117.63(18) . . ?
C21 C22 C31 116.00(18) . . ?
C17 C22 C31 126.32(17) . . ?
C25 C23 C26 111.0(2) . . ?
C25 C23 C24 104.5(2) . . ?
C26 C23 C24 105.6(2) . . ?
C25 C23 C18 113.7(2) . . ?
C26 C23 C18 110.7(2) . . ?
C24 C23 C18 110.91(19) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C32 C31 C33 109.8(2) . . ?
C32 C31 C34 106.8(2) . . ?
C33 C31 C34 105.19(18) . . ?
C32 C31 C22 109.75(18) . . ?
C33 C31 C22 113.24(18) . . ?
C34 C31 C22 111.86(18) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C35 C40 120.76(17) . . ?
C36 C35 P2 120.88(15) . . ?
C40 C35 P2 118.28(15) . . ?
C37 C36 C35 117.54(18) . . ?
C37 C36 C41 115.97(18) . . ?
C35 C36 C41 126.44(17) . . ?
C38 C37 C36 123.5(2) . . ?
C38 C37 H37 118.2 . . ?
C36 C37 H37 118.2 . . ?
C39 C38 C37 117.3(2) . . ?
C39 C38 C45A 121.9(4) . . ?
C37 C38 C45A 119.6(4) . . ?
C39 C38 C45B 120.2(4) . . ?
C37 C38 C45B 121.9(4) . . ?
C38 C39 C40 124.3(2) . . ?
C38 C39 H39 117.9 . . ?
C40 C39 H39 117.9 . . ?
C39 C40 C35 116.62(19) . . ?
C39 C40 C49 116.61(19) . . ?
C35 C40 C49 126.74(18) . . ?
C43 C41 C44 109.6(2) . . ?
C43 C41 C42 106.7(2) . . ?
C44 C41 C42 105.11(18) . . ?
C43 C41 C36 110.06(18) . . ?
C44 C41 C36 113.28(18) . . ?
C42 C41 C36 111.81(17) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C41 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C50 C49 C51 110.9(2) . . ?
C50 C49 C52 104.2(2) . . ?
C51 C49 C52 105.8(2) . . ?
C50 C49 C40 113.4(2) . . ?
C51 C49 C40 110.7(2) . . ?
C52 C49 C40 111.36(19) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C49 C52 H52A 109.5 . . ?
C49 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C49 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C47A C45A C48A 107.5(8) . . ?
C47A C45A C46A 108.8(8) . . ?
C48A C45A C46A 109.6(8) . . ?
C47A C45A C38 105.1(7) . . ?
C48A C45A C38 114.4(6) . . ?
C46A C45A C38 111.2(6) . . ?
C45A C46A H46A 109.5 . . ?
C45A C46A H46B 109.5 . . ?
H46A C46A H46B 109.5 . . ?
C45A C46A H46C 109.5 . . ?
H46A C46A H46C 109.5 . . ?
H46B C46A H46C 109.5 . . ?
C45A C47A H47A 109.5 . . ?
C45A C47A H47B 109.5 . . ?
H47A C47A H47B 109.5 . . ?
C45A C47A H47C 109.5 . . ?
H47A C47A H47C 109.5 . . ?
H47B C47A H47C 109.5 . . ?
C45A C48A H48A 109.5 . . ?
C45A C48A H48B 109.5 . . ?
H48A C48A H48B 109.5 . . ?
C45A C48A H48C 109.5 . . ?
H48A C48A H48C 109.5 . . ?
H48B C48A H48C 109.5 . . ?
C48B C45B C47B 108.1(7) . . ?
C48B C45B C46B 108.2(9) . . ?
C47B C45B C46B 107.7(8) . . ?
C48B C45B C38 114.5(8) . . ?
C47B C45B C38 114.0(7) . . ?
C46B C45B C38 103.9(5) . . ?
C45B C46B H46D 109.5 . . ?
C45B C46B H46E 109.5 . . ?
H46D C46B H46E 109.5 . . ?
C45B C46B H46F 109.5 . . ?
H46D C46B H46F 109.5 . . ?
H46E C46B H46F 109.5 . . ?
C45B C47B H47D 109.5 . . ?
C45B C47B H47E 109.5 . . ?
H47D C47B H47E 109.5 . . ?
C45B C47B H47F 109.5 . . ?
H47D C47B H47F 109.5 . . ?
H47E C47B H47F 109.5 . . ?
C45B C48B H48D 109.5 . . ?
C45B C48B H48E 109.5 . . ?
H48D C48B H48E 109.5 . . ?
C45B C48B H48F 109.5 . . ?
H48D C48B H48F 109.5 . . ?
H48E C48B H48F 109.5 . . ?
C30A C27A C29A 108.5(8) . . ?
C30A C27A C20 105.5(7) . . ?
C29A C27A C20 110.8(6) . . ?
C30A C27A C28A 107.8(8) . . ?
C29A C27A C28A 110.0(8) . . ?
C20 C27A C28A 114.0(6) . . ?
C27A C28A H28A 109.5 . . ?
C27A C28A H28B 109.5 . . ?
H28A C28A H28B 109.5 . . ?
C27A C28A H28C 109.5 . . ?
H28A C28A H28C 109.5 . . ?
H28B C28A H28C 109.5 . . ?
C27A C29A H29A 109.5 . . ?
C27A C29A H29B 109.5 . . ?
H29A C29A H29B 109.5 . . ?
C27A C29A H29C 109.5 . . ?
H29A C29A H29C 109.5 . . ?
H29B C29A H29C 109.5 . . ?
C27A C30A H30A 109.5 . . ?
C27A C30A H30B 109.5 . . ?
H30A C30A H30B 109.5 . . ?
C27A C30A H30C 109.5 . . ?
H30A C30A H30C 109.5 . . ?
H30B C30A H30C 109.5 . . ?
C30B C27B C28B 108.2(7) . . ?
C30B C27B C29B 108.7(8) . . ?
C28B C27B C29B 108.5(8) . . ?
C30B C27B C20 114.3(6) . . ?
C28B C27B C20 113.7(8) . . ?
C29B C27B C20 103.1(5) . . ?
C27B C28B H28D 109.5 . . ?
C27B C28B H28E 109.5 . . ?
H28D C28B H28E 109.5 . . ?
C27B C28B H28F 109.5 . . ?
H28D C28B H28F 109.5 . . ?
H28E C28B H28F 109.5 . . ?
C27B C29B H29D 109.5 . . ?
C27B C29B H29E 109.5 . . ?
H29D C29B H29E 109.5 . . ?
C27B C29B H29F 109.5 . . ?
H29D C29B H29F 109.5 . . ?
H29E C29B H29F 109.5 . . ?
C27B C30B H30D 109.5 . . ?
C27B C30B H30E 109.5 . . ?
H30D C30B H30E 109.5 . . ?
C27B C30B H30F 109.5 . . ?
H30D C30B H30F 109.5 . . ?
H30E C30B H30F 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
C53 O1 1.139(3) . ?
C53 Rh1 1.834(2) . ?
P1 C15 1.666(2) . ?
P1 C17 1.8326(19) . ?
P1 Rh1 2.2423(5) . ?
P2 C16 1.663(2) . ?
P2 C35 1.8363(19) . ?
P2 Rh1 2.2420(5) . ?
N1 C1 1.391(2) . ?
N1 C8 1.395(2) . ?
N1 Rh1 2.0974(15) . ?
C1 C2 1.424(3) . ?
C1 C6 1.424(3) . ?
C2 C3 1.389(3) . ?
C2 C9 1.431(3) . ?
C3 C4 1.384(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.383(3) . ?
C4 C7 1.511(3) . ?
C5 C6 1.423(3) . ?
C5 H5 0.9500 . ?
C6 C15 1.425(3) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.417(3) . ?
C8 C13 1.424(3) . ?
C9 C10 1.394(3) . ?
C10 C11 1.387(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.381(3) . ?
C11 C14 1.508(3) . ?
C12 C13 1.420(3) . ?
C12 H12 0.9500 . ?
C13 C16 1.431(3) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C22 1.423(3) . ?
C17 C18 1.428(3) . ?
C18 C19 1.401(3) . ?
C18 C23 1.566(3) . ?
C19 C20 1.378(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.381(3) . ?
C20 C27A 1.529(10) . ?
C20 C27B 1.587(10) . ?
C21 C22 1.398(3) . ?
C21 H21 0.9500 . ?
C22 C31 1.560(3) . ?
C23 C25 1.532(4) . ?
C23 C26 1.533(4) . ?
C23 C24 1.545(3) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C31 C32 1.527(3) . ?
C31 C33 1.530(3) . ?
C31 C34 1.543(3) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.423(3) . ?
C35 C40 1.425(3) . ?
C36 C37 1.397(3) . ?
C36 C41 1.557(3) . ?
C37 C38 1.383(3) . ?
C37 H37 0.9500 . ?
C38 C39 1.373(3) . ?
C38 C45A 1.534(10) . ?
C38 C45B 1.577(11) . ?
C39 C40 1.405(3) . ?
C39 H39 0.9500 . ?
C40 C49 1.564(3) . ?
C41 C43 1.526(3) . ?
C41 C44 1.538(3) . ?
C41 C42 1.544(3) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C49 C50 1.531(4) . ?
C49 C51 1.536(4) . ?
C49 C52 1.544(3) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C45A C47A 1.511(10) . ?
C45A C48A 1.519(9) . ?
C45A C46A 1.520(10) . ?
C46A H46A 0.9800 . ?
C46A H46B 0.9800 . ?
C46A H46C 0.9800 . ?
C47A H47A 0.9800 . ?
C47A H47B 0.9800 . ?
C47A H47C 0.9800 . ?
C48A H48A 0.9800 . ?
C48A H48B 0.9800 . ?
C48A H48C 0.9800 . ?
C45B C48B 1.507(11) . ?
C45B C47B 1.518(9) . ?
C45B C46B 1.531(9) . ?
C46B H46D 0.9800 . ?
C46B H46E 0.9800 . ?
C46B H46F 0.9800 . ?
C47B H47D 0.9800 . ?
C47B H47E 0.9800 . ?
C47B H47F 0.9800 . ?
C48B H48D 0.9800 . ?
C48B H48E 0.9800 . ?
C48B H48F 0.9800 . ?
C27A C30A 1.510(10) . ?
C27A C29A 1.526(9) . ?
C27A C28A 1.531(9) . ?
C28A H28A 0.9800 . ?
C28A H28B 0.9800 . ?
C28A H28C 0.9800 . ?
C29A H29A 0.9800 . ?
C29A H29B 0.9800 . ?
C29A H29C 0.9800 . ?
C30A H30A 0.9800 . ?
C30A H30B 0.9800 . ?
C30A H30C 0.9800 . ?
C27B C30B 1.510(9) . ?
C27B C28B 1.511(10) . ?
C27B C29B 1.526(9) . ?
C28B H28D 0.9800 . ?
C28B H28E 0.9800 . ?
C28B H28F 0.9800 . ?
C29B H29D 0.9800 . ?
C29B H29E 0.9800 . ?
C29B H29F 0.9800 . ?
C30B H30D 0.9800 . ?
C30B H30E 0.9800 . ?
C30B H30F 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
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_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C8 N1 C1 C2 -0.3(2) . . . . ?
Rh1 N1 C1 C2 179.57(13) . . . . ?
C8 N1 C1 C6 178.6(2) . . . . ?
Rh1 N1 C1 C6 -1.5(3) . . . . ?
N1 C1 C2 C3 -179.19(19) . . . . ?
C6 C1 C2 C3 1.7(3) . . . . ?
N1 C1 C2 C9 0.9(2) . . . . ?
C6 C1 C2 C9 -178.21(18) . . . . ?
C1 C2 C3 C4 -0.6(3) . . . . ?
C9 C2 C3 C4 179.3(2) . . . . ?
C2 C3 C4 C5 -0.8(3) . . . . ?
C2 C3 C4 C7 179.0(2) . . . . ?
C3 C4 C5 C6 1.1(3) . . . . ?
C7 C4 C5 C6 -178.7(2) . . . . ?
C4 C5 C6 C1 0.0(3) . . . . ?
C4 C5 C6 C15 178.6(2) . . . . ?
N1 C1 C6 C5 179.8(2) . . . . ?
C2 C1 C6 C5 -1.3(3) . . . . ?
N1 C1 C6 C15 1.2(4) . . . . ?
C2 C1 C6 C15 -179.85(19) . . . . ?
C1 N1 C8 C9 -0.4(2) . . . . ?
Rh1 N1 C8 C9 179.69(13) . . . . ?
C1 N1 C8 C13 178.8(2) . . . . ?
Rh1 N1 C8 C13 -1.1(3) . . . . ?
N1 C8 C9 C10 -178.94(19) . . . . ?
C13 C8 C9 C10 1.7(3) . . . . ?
N1 C8 C9 C2 1.0(2) . . . . ?
C13 C8 C9 C2 -178.35(18) . . . . ?
C3 C2 C9 C10 -1.1(4) . . . . ?
C1 C2 C9 C10 178.8(2) . . . . ?
C3 C2 C9 C8 179.0(2) . . . . ?
C1 C2 C9 C8 -1.1(2) . . . . ?
C8 C9 C10 C11 -0.7(3) . . . . ?
C2 C9 C10 C11 179.4(2) . . . . ?
C9 C10 C11 C12 -0.8(3) . . . . ?
C9 C10 C11 C14 179.0(2) . . . . ?
C10 C11 C12 C13 1.3(3) . . . . ?
C14 C11 C12 C13 -178.5(2) . . . . ?
C11 C12 C13 C8 -0.3(3) . . . . ?
C11 C12 C13 C16 178.7(2) . . . . ?
N1 C8 C13 C12 179.7(2) . . . . ?
C9 C8 C13 C12 -1.2(3) . . . . ?
N1 C8 C13 C16 0.7(4) . . . . ?
C9 C8 C13 C16 179.88(19) . . . . ?
C5 C6 C15 P1 -177.96(15) . . . . ?
C1 C6 C15 P1 0.6(3) . . . . ?
C17 P1 C15 C6 172.98(17) . . . . ?
Rh1 P1 C15 C6 -1.7(2) . . . . ?
C12 C13 C16 P2 -177.93(16) . . . . ?
C8 C13 C16 P2 1.0(3) . . . . ?
C35 P2 C16 C13 172.81(17) . . . . ?
Rh1 P2 C16 C13 -2.0(2) . . . . ?
C15 P1 C17 C22 95.14(18) . . . . ?
Rh1 P1 C17 C22 -91.03(18) . . . . ?
C15 P1 C17 C18 -81.92(19) . . . . ?
Rh1 P1 C17 C18 91.91(18) . . . . ?
C22 C17 C18 C19 -2.4(3) . . . . ?
P1 C17 C18 C19 174.63(19) . . . . ?
C22 C17 C18 C23 175.9(2) . . . . ?
P1 C17 C18 C23 -7.0(3) . . . . ?
C17 C18 C19 C20 1.5(4) . . . . ?
C23 C18 C19 C20 -177.0(3) . . . . ?
C18 C19 C20 C21 0.0(4) . . . . ?
C18 C19 C20 C27A -167.9(4) . . . . ?
C18 C19 C20 C27B 170.1(4) . . . . ?
C19 C20 C21 C22 -0.7(4) . . . . ?
C27A C20 C21 C22 167.4(4) . . . . ?
C27B C20 C21 C22 -170.7(4) . . . . ?
C20 C21 C22 C17 -0.2(4) . . . . ?
C20 C21 C22 C31 -177.8(2) . . . . ?
C18 C17 C22 C21 1.8(3) . . . . ?
P1 C17 C22 C21 -175.18(17) . . . . ?
C18 C17 C22 C31 179.1(2) . . . . ?
P1 C17 C22 C31 2.1(3) . . . . ?
C19 C18 C23 C25 -113.8(3) . . . . ?
C17 C18 C23 C25 67.9(3) . . . . ?
C19 C18 C23 C26 120.5(3) . . . . ?
C17 C18 C23 C26 -57.9(3) . . . . ?
C19 C18 C23 C24 3.6(3) . . . . ?
C17 C18 C23 C24 -174.7(3) . . . . ?
C21 C22 C31 C32 107.1(2) . . . . ?
C17 C22 C31 C32 -70.2(3) . . . . ?
C21 C22 C31 C33 -129.8(2) . . . . ?
C17 C22 C31 C33 52.8(3) . . . . ?
C21 C22 C31 C34 -11.2(3) . . . . ?
C17 C22 C31 C34 171.5(2) . . . . ?
C16 P2 C35 C36 94.96(18) . . . . ?
Rh1 P2 C35 C36 -91.11(18) . . . . ?
C16 P2 C35 C40 -81.87(19) . . . . ?
Rh1 P2 C35 C40 92.06(18) . . . . ?
C40 C35 C36 C37 1.8(3) . . . . ?
P2 C35 C36 C37 -174.96(17) . . . . ?
C40 C35 C36 C41 178.9(2) . . . . ?
P2 C35 C36 C41 2.2(3) . . . . ?
C35 C36 C37 C38 -0.6(3) . . . . ?
C41 C36 C37 C38 -178.0(2) . . . . ?
C36 C37 C38 C39 -0.1(4) . . . . ?
C36 C37 C38 C45A 167.4(4) . . . . ?
C36 C37 C38 C45B -170.9(4) . . . . ?
C37 C38 C39 C40 -0.3(4) . . . . ?
C45A C38 C39 C40 -167.6(4) . . . . ?
C45B C38 C39 C40 170.6(4) . . . . ?
C38 C39 C40 C35 1.5(4) . . . . ?
C38 C39 C40 C49 -176.8(3) . . . . ?
C36 C35 C40 C39 -2.2(3) . . . . ?
P2 C35 C40 C39 174.64(18) . . . . ?
C36 C35 C40 C49 175.9(2) . . . . ?
P2 C35 C40 C49 -7.2(3) . . . . ?
C37 C36 C41 C43 106.8(2) . . . . ?
C35 C36 C41 C43 -70.3(3) . . . . ?
C37 C36 C41 C44 -130.1(2) . . . . ?
C35 C36 C41 C44 52.8(3) . . . . ?
C37 C36 C41 C42 -11.5(3) . . . . ?
C35 C36 C41 C42 171.3(2) . . . . ?
C39 C40 C49 C50 -114.0(3) . . . . ?
C35 C40 C49 C50 67.9(3) . . . . ?
C39 C40 C49 C51 120.5(2) . . . . ?
C35 C40 C49 C51 -57.6(3) . . . . ?
C39 C40 C49 C52 3.2(3) . . . . ?
C35 C40 C49 C52 -174.9(3) . . . . ?
C39 C38 C45A C47A -49.4(9) . . . . ?
C37 C38 C45A C47A 143.6(6) . . . . ?
C39 C38 C45A C48A 68.2(8) . . . . ?
C37 C38 C45A C48A -98.8(7) . . . . ?
C39 C38 C45A C46A -166.9(5) . . . . ?
C37 C38 C45A C46A 26.1(8) . . . . ?
C39 C38 C45B C48B 7.7(8) . . . . ?
C37 C38 C45B C48B 178.2(6) . . . . ?
C39 C38 C45B C47B -117.5(6) . . . . ?
C37 C38 C45B C47B 52.9(7) . . . . ?
C39 C38 C45B C46B 125.5(6) . . . . ?
C37 C38 C45B C46B -64.1(7) . . . . ?
C19 C20 C27A C30A -49.9(9) . . . . ?
C21 C20 C27A C30A 142.5(6) . . . . ?
C19 C20 C27A C29A -167.1(5) . . . . ?
C21 C20 C27A C29A 25.3(8) . . . . ?
C19 C20 C27A C28A 68.2(8) . . . . ?
C21 C20 C27A C28A -99.4(7) . . . . ?
C19 C20 C27B C30B -116.9(6) . . . . ?
C21 C20 C27B C30B 52.6(7) . . . . ?
C19 C20 C27B C28B 8.0(8) . . . . ?
C21 C20 C27B C28B 177.6(6) . . . . ?
C19 C20 C27B C29B 125.2(6) . . . . ?
C21 C20 C27B C29B -65.2(7) . . . . ?
