#------------------------------------------------------------------------------
#$Date: 2023-05-05 04:07:41 +0300 (Fri, 05 May 2023) $
#$Revision: 283173 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/86/1568649.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_1568649
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            'C55 H65 Cl N2 O P3 Rh'
_chemical_formula_weight         1001.36
_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   mixed
_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                105.0020(10)
_cell_angle_beta                 95.7050(10)
_cell_angle_gamma                98.0360(10)
_cell_formula_units_Z            2
_cell_length_a                   11.69260(10)
_cell_length_b                   14.4062(2)
_cell_length_c                   16.2053(2)
_cell_measurement_reflns_used    42800
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.6720
_cell_measurement_theta_min      2.4030
_cell_volume                     2584.42(6)
_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 0.999
_diffrn_measured_fraction_theta_max 0.896
_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           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0365
_diffrn_reflns_av_unetI/netI     0.0279
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.896
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            77778
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.896
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.588
_diffrn_reflns_theta_min         2.240
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.514
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.771
_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    1.287
_exptl_crystal_description       plate
_exptl_crystal_F_000             1048
_exptl_crystal_size_max          0.211
_exptl_crystal_size_mid          0.183
_exptl_crystal_size_min          0.103
_refine_diff_density_max         0.769
_refine_diff_density_min         -0.282
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     675
_refine_ls_number_reflns         14248
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0421
_refine_ls_R_factor_gt           0.0319
_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)+(0.0461P)²+0.9766P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0798
_refine_ls_wR_factor_ref         0.0844
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11948
_reflns_number_total             14248
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc06759e2.cif
_cod_data_source_block           SL-198
_cod_depositor_comments
'Adding full bibliography for 1568644--1568653.cif.'
_cod_original_cell_volume        2584.42(5)
_cod_database_code               1568649
_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   0.552
_shelx_estimated_absorpt_t_max   0.748
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 0.53949(2) 0.59764(2) 0.28127(2) 0.02003(4) Uani 1 1 d . . . . .
Cl1 Cl 0.33750(3) 0.54427(3) 0.22882(3) 0.02688(9) Uani 1 1 d . . . . .
P1 P 0.53774(3) 0.74957(3) 0.29903(2) 0.02041(8) Uani 1 1 d . . . . .
P2 P 0.76925(3) 0.70865(3) 0.27550(2) 0.01900(8) Uani 1 1 d . . . . .
P3 P 0.72109(3) 0.50180(3) 0.30602(2) 0.01998(8) Uani 1 1 d . . . . .
N1 N 0.67979(11) 0.79086(10) 0.28034(8) 0.0210(3) Uani 1 1 d . . . . .
N2 N 0.59378(12) 0.45845(10) 0.25375(9) 0.0230(3) Uani 1 1 d . . . . .
C1 C 0.71855(13) 0.62955(12) 0.33326(10) 0.0204(3) Uani 1 1 d . . . . .
C2 C 0.52581(14) 0.83272(12) 0.40519(10) 0.0217(3) Uani 1 1 d . . . . .
H2 H 0.531100 0.900996 0.400462 0.026 Uiso 1 1 calc R U . . .
C3 C 0.62124(17) 0.82909(15) 0.47531(10) 0.0321(4) Uani 1 1 d . . . . .
H3A H 0.698299 0.854348 0.461869 0.038 Uiso 1 1 calc R U . . .
H3B H 0.620563 0.760515 0.476058 0.038 Uiso 1 1 calc R U . . .
C4 C 0.60365(18) 0.88979(17) 0.56464(11) 0.0383(5) Uani 1 1 d . . . . .
H4A H 0.665825 0.885064 0.608768 0.046 Uiso 1 1 calc R U . . .
H4B H 0.609272 0.959169 0.565226 0.046 Uiso 1 1 calc R U . . .
C5 C 0.4845(2) 0.85324(17) 0.58650(13) 0.0460(6) Uani 1 1 d . . . . .
H5A H 0.481472 0.785676 0.590849 0.055 Uiso 1 1 calc R U . . .
H5B H 0.473086 0.894787 0.643112 0.055 Uiso 1 1 calc R U . . .
C6 C 0.38810(18) 0.85552(16) 0.51820(13) 0.0408(5) Uani 1 1 d . . . . .
H6A H 0.385024 0.924139 0.519272 0.049 Uiso 1 1 calc R U . . .
H6B H 0.312462 0.827047 0.531573 0.049 Uiso 1 1 calc R U . . .
C7 C 0.40574(17) 0.79887(15) 0.42760(13) 0.0393(5) Uani 1 1 d . . . . .
H7A H 0.396838 0.728509 0.423978 0.047 Uiso 1 1 calc R U . . .
H7B H 0.344562 0.807385 0.384692 0.047 Uiso 1 1 calc R U . . .
C14 C 0.71636(14) 0.88175(12) 0.26093(10) 0.0220(3) Uani 1 1 d . . . . .
C15 C 0.73066(15) 0.88226(13) 0.17678(10) 0.0271(3) Uani 1 1 d . . . . .
H15 H 0.715253 0.822784 0.131973 0.032 Uiso 1 1 calc R U . . .
C16 C 0.76726(16) 0.96921(14) 0.15834(11) 0.0303(4) Uani 1 1 d . . . . .
H16 H 0.777415 0.968304 0.100716 0.036 Uiso 1 1 calc R U . . .
C17 C 0.78966(15) 1.05813(13) 0.22194(12) 0.0287(4) Uani 1 1 d . . . . .
C18 C 0.77324(15) 1.05670(13) 0.30559(12) 0.0287(4) Uani 1 1 d . . . . .
H18 H 0.786114 1.116432 0.349980 0.034 Uiso 1 1 calc R U . . .
C19 C 0.73848(14) 0.96992(13) 0.32546(10) 0.0250(3) Uani 1 1 d . . . . .
H19 H 0.729731 0.970621 0.383261 0.030 Uiso 1 1 calc R U . . .
C20 C 0.83116(19) 1.15219(15) 0.20092(15) 0.0404(5) Uani 1 1 d . . . . .
H20A H 0.823982 1.207548 0.249007 0.061 Uiso 1 1 calc R U . . .
H20B H 0.783460 1.154626 0.148505 0.061 Uiso 1 1 calc R U . . .
H20C H 0.912985 1.155491 0.191576 0.061 Uiso 1 1 calc R U . . .
C21 C 0.90892(13) 0.78482(12) 0.32637(10) 0.0234(3) Uani 1 1 d . . . . .
C22 C 0.97175(15) 0.84700(14) 0.28688(12) 0.0312(4) Uani 1 1 d . . . . .
H22 H 0.946320 0.844530 0.228697 0.037 Uiso 1 1 calc R U . . .
C23 C 1.07074(17) 0.91223(15) 0.33166(14) 0.0395(5) Uani 1 1 d . . . . .
H23 H 1.112587 0.954130 0.304160 0.047 Uiso 1 1 calc R U . . .
C24 C 1.10816(18) 0.91622(17) 0.41567(15) 0.0464(5) Uani 1 1 d . . . . .
H24 H 1.175720 0.961154 0.446343 0.056 Uiso 1 1 calc R U . . .
C25 C 1.04805(19) 0.85522(19) 0.45571(14) 0.0497(6) Uani 1 1 d . . . . .
H25 H 1.074324 0.858217 0.513884 0.060 Uiso 1 1 calc R U . . .
C26 C 0.94880(16) 0.78914(15) 0.41106(12) 0.0338(4) Uani 1 1 d . . . . .
H26 H 0.908224 0.746806 0.438798 0.041 Uiso 1 1 calc R U . . .
C27 C 0.78546(14) 0.64497(12) 0.16714(10) 0.0218(3) Uani 1 1 d . . . . .
C28 C 0.68561(15) 0.59743(12) 0.10822(10) 0.0235(3) Uani 1 1 d . . . . .
H28 H 0.610453 0.600944 0.125073 0.028 Uiso 1 1 calc R U . . .
C29 C 0.69623(16) 0.54523(13) 0.02532(10) 0.0278(4) Uani 1 1 d . . . . .
H29 H 0.628273 0.513247 -0.014546 0.033 Uiso 1 1 calc R U . . .
C30 C 0.80553(18) 0.53953(13) 0.00041(11) 0.0311(4) Uani 1 1 d . . . . .
H30 H 0.812423 0.504212 -0.056629 0.037 Uiso 1 1 calc R U . . .
C31 C 0.90487(17) 0.58533(14) 0.05865(11) 0.0322(4) Uani 1 1 d . . . . .
H31 H 0.979773 0.580688 0.041625 0.039 Uiso 1 1 calc R U . . .
C32 C 0.89532(15) 0.63803(13) 0.14186(11) 0.0269(3) Uani 1 1 d . . . . .
H32 H 0.963631 0.669353 0.181574 0.032 Uiso 1 1 calc R U . . .
C33 C 0.74624(15) 0.47028(13) 0.40719(10) 0.0254(3) Uani 1 1 d . . . . .
C34 C 0.83288(17) 0.41829(15) 0.42460(12) 0.0338(4) Uani 1 1 d . . . . .
H34 H 0.886246 0.402126 0.384796 0.041 Uiso 1 1 calc R U . . .
C35 C 0.8412(2) 0.38997(16) 0.50063(13) 0.0409(5) Uani 1 1 d . . . . .
H35 H 0.900441 0.354406 0.512495 0.049 Uiso 1 1 calc R U . . .
C36 C 0.76477(19) 0.41299(16) 0.55830(12) 0.0414(5) Uani 1 1 d . . . . .
H36 H 0.771585 0.393827 0.610185 0.050 Uiso 1 1 calc R U . . .
C37 C 0.67810(19) 0.46372(17) 0.54153(12) 0.0425(5) Uani 1 1 d . . . . .
H37 H 0.625006 0.479107 0.581709 0.051 Uiso 1 1 calc R U . . .
C38 C 0.66783(17) 0.49257(15) 0.46615(12) 0.0347(4) Uani 1 1 d . . . . .
H38 H 0.607645 0.527390 0.454658 0.042 Uiso 1 1 calc R U . . .
C39 C 0.83825(13) 0.46458(12) 0.24775(10) 0.0215(3) Uani 1 1 d . . . . .
C40 C 0.95403(15) 0.50408(14) 0.28283(11) 0.0292(4) Uani 1 1 d . . . . .
H40 H 0.971305 0.552205 0.336999 0.035 Uiso 1 1 calc R U . . .
C41 C 1.04409(15) 0.47347(15) 0.23908(12) 0.0335(4) Uani 1 1 d . . . . .
H41 H 1.122855 0.500452 0.263317 0.040 Uiso 1 1 calc R U . . .
C42 C 1.01906(16) 0.40350(14) 0.15999(12) 0.0305(4) Uani 1 1 d . . . . .
H42 H 1.080744 0.381247 0.130677 0.037 Uiso 1 1 calc R U . . .
C43 C 0.90454(16) 0.36606(13) 0.12369(11) 0.0276(3) Uani 1 1 d . . . . .
H43 H 0.887761 0.319437 0.068689 0.033 Uiso 1 1 calc R U . . .
C44 C 0.81354(14) 0.39621(12) 0.16722(10) 0.0231(3) Uani 1 1 d . . . . .
H44 H 0.734879 0.370224 0.142046 0.028 Uiso 1 1 calc R U . . .
C45 C 0.54349(13) 0.36148(12) 0.21121(10) 0.0230(3) Uani 1 1 d . . . . .
C46 C 0.45905(15) 0.34442(14) 0.13879(11) 0.0292(4) Uani 1 1 d . . . . .
H46 H 0.434080 0.397950 0.122514 0.035 Uiso 1 1 calc R U . . .
C47 C 0.41200(17) 0.25030(15) 0.09101(12) 0.0360(4) Uani 1 1 d . . . . .
H47 H 0.354886 0.240196 0.042135 0.043 Uiso 1 1 calc R U . . .
C48 C 0.44595(17) 0.16996(14) 0.11252(12) 0.0342(4) Uani 1 1 d . . . . .
C49 C 0.52746(17) 0.18727(14) 0.18552(12) 0.0329(4) Uani 1 1 d . . . . .
H49 H 0.551047 0.133535 0.202269 0.039 Uiso 1 1 calc R U . . .
C50 C 0.57521(15) 0.28145(13) 0.23454(11) 0.0285(4) Uani 1 1 d . . . . .
H50 H 0.630192 0.291256 0.284580 0.034 Uiso 1 1 calc R U . . .
C51 C 0.3958(2) 0.06755(17) 0.05883(16) 0.0509(6) Uani 1 1 d . . . . .
H51A H 0.439977 0.021661 0.077328 0.076 Uiso 1 1 calc R U . . .
H51B H 0.401013 0.062481 -0.002117 0.076 Uiso 1 1 calc R U . . .
H51C H 0.313916 0.051879 0.066366 0.076 Uiso 1 1 calc R U . . .
H1 H 0.7371(18) 0.6607(15) 0.3942(14) 0.031(5) Uiso 1 1 d . . . . .
C8A C 0.4319(4) 0.7769(3) 0.2215(3) 0.0210(8) Uani 0.705(4) 1 d . . P A 1
H8A H 0.354677 0.748087 0.233734 0.025 Uiso 0.705(4) 1 calc R U P A 1
C9A C 0.4217(2) 0.88381(18) 0.22930(15) 0.0267(6) Uani 0.705(4) 1 d . . P A 1
H9AA H 0.413628 0.917180 0.289517 0.032 Uiso 0.705(4) 1 calc R U P A 1
H9AB H 0.493239 0.917481 0.214500 0.032 Uiso 0.705(4) 1 calc R U P A 1
C10A C 0.3152(3) 0.8892(2) 0.1683(2) 0.0311(7) Uani 0.705(4) 1 d . . P A 1
H10A H 0.243191 0.861056 0.186813 0.037 Uiso 0.705(4) 1 calc R U P A 1
H10B H 0.311619 0.958352 0.171822 0.037 Uiso 0.705(4) 1 calc R U P A 1
C11A C 0.3208(3) 0.8341(2) 0.07525(18) 0.0346(7) Uani 0.705(4) 1 d . . P A 1
H11A H 0.249646 0.836824 0.037971 0.042 Uiso 0.705(4) 1 calc R U P A 1
H11B H 0.389051 0.865625 0.054985 0.042 Uiso 0.705(4) 1 calc R U P A 1
C12A C 0.3306(2) 0.7283(2) 0.06775(16) 0.0296(6) Uani 0.705(4) 1 d . . P A 1
H12A H 0.337495 0.694818 0.007317 0.036 Uiso 0.705(4) 1 calc R U P A 1
H12B H 0.258850 0.695166 0.082849 0.036 Uiso 0.705(4) 1 calc R U P A 1
C13A C 0.4364(7) 0.7204(4) 0.1273(5) 0.0217(11) Uani 0.705(4) 1 d . . P A 1
H13A H 0.508698 0.747208 0.108361 0.026 Uiso 0.705(4) 1 calc R U P A 1
H13B H 0.437834 0.650935 0.123616 0.026 Uiso 0.705(4) 1 calc R U P A 1
C8 C 0.4536(10) 0.8099(6) 0.2259(7) 0.0204(19) Uani 0.295(4) 1 d . . P A 2
H8 H 0.497689 0.876543 0.231998 0.024 Uiso 0.295(4) 1 calc R U P A 2
C9 C 0.3318(5) 0.8181(5) 0.2441(4) 0.0284(14) Uani 0.295(4) 1 d . . P A 2
H9A H 0.334215 0.861279 0.302980 0.034 Uiso 0.295(4) 1 calc R U P A 2
H9B H 0.288830 0.752886 0.241582 0.034 Uiso 0.295(4) 1 calc R U P A 2
C10 C 0.2684(7) 0.8593(7) 0.1786(5) 0.0324(17) Uani 0.295(4) 1 d . . P A 2
H10C H 0.307593 0.926652 0.184601 0.039 Uiso 0.295(4) 1 calc R U P A 2
H10D H 0.187140 0.861643 0.190116 0.039 Uiso 0.295(4) 1 calc R U P A 2
C11 C 0.2677(7) 0.7960(6) 0.0864(4) 0.0358(17) Uani 0.295(4) 1 d . . P A 2
H11C H 0.220619 0.730911 0.078702 0.043 Uiso 0.295(4) 1 calc R U P A 2
H11D H 0.230395 0.826382 0.044929 0.043 Uiso 0.295(4) 1 calc R U P A 2
C12 C 0.3882(6) 0.7842(5) 0.0668(3) 0.0279(15) Uani 0.295(4) 1 d . . P A 2
H12C H 0.432105 0.847911 0.066291 0.034 Uiso 0.295(4) 1 calc R U P A 2
H12D H 0.383331 0.738313 0.008850 0.034 Uiso 0.295(4) 1 calc R U P A 2
C13 C 0.4532(16) 0.7456(9) 0.1337(14) 0.021(3) Uani 0.295(4) 1 d . . P A 2
H13C H 0.534570 0.743991 0.122197 0.025 Uiso 0.295(4) 1 calc R U P A 2
H13D H 0.415397 0.678034 0.128672 0.025 Uiso 0.295(4) 1 calc R U P A 2
C90 C 0.8617(5) 0.7041(4) 0.6414(4) 0.0556(13) Uani 0.734(6) 1 d . . P B 3
H90A H 0.845749 0.661108 0.581560 0.067 Uiso 0.734(6) 1 calc R U P B 3
H90B H 0.923510 0.682899 0.674873 0.067 Uiso 0.734(6) 1 calc R U P B 3
C91 C 0.7530(8) 0.7067(8) 0.6836(7) 0.058(2) Uani 0.734(6) 1 d . . P B 3
H91A H 0.683732 0.700090 0.640714 0.070 Uiso 0.734(6) 1 calc R U P B 3
H91B H 0.740802 0.653552 0.711828 0.070 Uiso 0.734(6) 1 calc R U P B 3
C92 C 0.7738(4) 0.8014(3) 0.7469(3) 0.0622(12) Uani 0.734(6) 1 d . . P B 3
H92A H 0.699718 0.826817 0.752766 0.075 Uiso 0.734(6) 1 calc R U P B 3
H92B H 0.806496 0.795925 0.803806 0.075 Uiso 0.734(6) 1 calc R U P B 3
C93 C 0.8932(5) 0.8098(4) 0.6436(4) 0.0388(12) Uani 0.734(6) 1 d . . P B 3
H93A H 0.978712 0.827950 0.646634 0.047 Uiso 0.734(6) 1 calc R U P B 3
H93B H 0.854859 0.821477 0.590829 0.047 Uiso 0.734(6) 1 calc R U P B 3
O1A O 0.8549(3) 0.8659(2) 0.7173(2) 0.0518(9) Uani 0.734(6) 1 d . . P B 3
O1B O 0.9466(7) 0.7607(6) 0.6189(5) 0.057(3) Uani 0.266(6) 1 d . . P B 4
C90B C 0.8799(18) 0.6748(13) 0.6228(13) 0.067(5) Uani 0.266(6) 1 d . U P B 4
H90C H 0.927613 0.640412 0.654843 0.080 Uiso 0.266(6) 1 calc R U P B 4
H90D H 0.853030 0.631575 0.563695 0.080 Uiso 0.266(6) 1 calc R U P B 4
C91B C 0.771(3) 0.699(2) 0.670(2) 0.075(10) Uani 0.266(6) 1 d . . P B 4
H91C H 0.752863 0.658049 0.708695 0.090 Uiso 0.266(6) 1 calc R U P B 4
H91D H 0.700511 0.694979 0.628672 0.090 Uiso 0.266(6) 1 calc R U P B 4
C92B C 0.8271(12) 0.8114(15) 0.7225(8) 0.074(5) Uani 0.266(6) 1 d . . P B 4
H92C H 0.765872 0.851983 0.734799 0.088 Uiso 0.266(6) 1 calc R U P B 4
H92D H 0.875196 0.814695 0.777334 0.088 Uiso 0.266(6) 1 calc R U P B 4
C93B C 0.898(2) 0.8411(12) 0.6627(15) 0.061(6) Uani 0.266(6) 1 d . . P B 4
H93C H 0.849355 0.863578 0.620609 0.073 Uiso 0.266(6) 1 calc R U P B 4
H93D H 0.960859 0.895807 0.694303 0.073 Uiso 0.266(6) 1 calc R U P B 4
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'
Cl Cl 0.1484 0.1585 '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
_geom_angle_publ_flag
C1 Rh1 P1 90.04(5) . . ?
C1 Rh1 N2 75.84(6) . . ?
P1 Rh1 N2 162.16(4) . . ?
C1 Rh1 Cl1 172.96(5) . . ?
P1 Rh1 Cl1 96.268(16) . . ?
N2 Rh1 Cl1 98.53(4) . . ?
C1 Rh1 P3 40.58(5) . . ?
P1 Rh1 P3 130.321(14) . . ?
N2 Rh1 P3 35.47(4) . . ?
Cl1 Rh1 P3 133.365(15) . . ?
N1 P1 C8A 108.68(15) . . ?
N1 P1 C2 103.51(7) . . ?
C8A P1 C2 105.26(15) . . ?
N1 P1 C8 97.8(3) . . ?
C2 P1 C8 98.8(3) . . ?
N1 P1 Rh1 101.52(5) . . ?
C8A P1 Rh1 114.50(12) . . ?
C2 P1 Rh1 122.17(6) . . ?
C8 P1 Rh1 128.0(3) . . ?
N1 P2 C1 107.75(7) . . ?
N1 P2 C27 113.71(7) . . ?
C1 P2 C27 112.10(8) . . ?
N1 P2 C21 102.40(7) . . ?
C1 P2 C21 112.80(8) . . ?
C27 P2 C21 107.77(7) . . ?
N2 P3 C1 101.38(7) . . ?
N2 P3 C39 114.47(7) . . ?
C1 P3 C39 114.82(8) . . ?
N2 P3 C33 114.00(8) . . ?
C1 P3 C33 106.77(8) . . ?
C39 P3 C33 105.41(8) . . ?
N2 P3 Rh1 51.14(5) . . ?
C1 P3 Rh1 50.57(5) . . ?
C39 P3 Rh1 135.98(5) . . ?
C33 P3 Rh1 118.46(6) . . ?
C14 N1 P2 120.62(10) . . ?
C14 N1 P1 124.98(11) . . ?
P2 N1 P1 114.05(8) . . ?
C45 N2 P3 129.51(12) . . ?
C45 N2 Rh1 137.04(11) . . ?
P3 N2 Rh1 93.38(7) . . ?
P2 C1 P3 125.77(9) . . ?
P2 C1 Rh1 99.62(7) . . ?
P3 C1 Rh1 88.85(7) . . ?
P2 C1 H1 110.3(13) . . ?
P3 C1 H1 113.1(12) . . ?
Rh1 C1 H1 116.5(13) . . ?
C3 C2 C7 109.89(15) . . ?
C3 C2 P1 111.63(11) . . ?
C7 C2 P1 106.61(11) . . ?
C3 C2 H2 109.6 . . ?
C7 C2 H2 109.6 . . ?
P1 C2 H2 109.6 . . ?
C2 C3 C4 111.43(14) . . ?
C2 C3 H3A 109.3 . . ?
C4 C3 H3A 109.3 . . ?
C2 C3 H3B 109.3 . . ?
C4 C3 H3B 109.3 . . ?
H3A C3 H3B 108.0 . . ?
C5 C4 C3 110.44(17) . . ?
C5 C4 H4A 109.6 . . ?
C3 C4 H4A 109.6 . . ?
C5 C4 H4B 109.6 . . ?
C3 C4 H4B 109.6 . . ?
H4A C4 H4B 108.1 . . ?
C6 C5 C4 110.76(16) . . ?
C6 C5 H5A 109.5 . . ?
C4 C5 H5A 109.5 . . ?
C6 C5 H5B 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 108.1 . . ?
C5 C6 C7 112.17(17) . . ?
C5 C6 H6A 109.2 . . ?
C7 C6 H6A 109.2 . . ?
C5 C6 H6B 109.2 . . ?
C7 C6 H6B 109.2 . . ?
H6A C6 H6B 107.9 . . ?
C2 C7 C6 112.34(15) . . ?
C2 C7 H7A 109.1 . . ?
C6 C7 H7A 109.1 . . ?
C2 C7 H7B 109.1 . . ?
C6 C7 H7B 109.1 . . ?
H7A C7 H7B 107.9 . . ?
C15 C14 C19 118.97(16) . . ?
C15 C14 N1 120.05(14) . . ?
C19 C14 N1 120.98(14) . . ?
C16 C15 C14 120.07(16) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C15 C16 C17 121.81(16) . . ?
C15 C16 H16 119.1 . . ?
C17 C16 H16 119.1 . . ?
C18 C17 C16 117.50(17) . . ?
C18 C17 C20 121.39(17) . . ?
C16 C17 C20 121.11(17) . . ?
C19 C18 C17 121.41(16) . . ?
C19 C18 H18 119.3 . . ?
C17 C18 H18 119.3 . . ?
C18 C19 C14 120.22(15) . . ?
C18 C19 H19 119.9 . . ?
C14 C19 H19 119.9 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C26 C21 C22 118.40(16) . . ?
C26 C21 P2 118.66(13) . . ?
C22 C21 P2 122.60(13) . . ?
C23 C22 C21 120.80(18) . . ?
C23 C22 H22 119.6 . . ?
C21 C22 H22 119.6 . . ?
C24 C23 C22 120.0(2) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C24 C25 120.21(19) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 119.9 . . ?
C24 C25 C26 120.2(2) . . ?
C24 C25 H25 119.9 . . ?
C26 C25 H25 119.9 . . ?
C21 C26 C25 120.42(19) . . ?
C21 C26 H26 119.8 . . ?
C25 C26 H26 119.8 . . ?
C32 C27 C28 119.31(14) . . ?
C32 C27 P2 121.45(12) . . ?
C28 C27 P2 119.16(12) . . ?
C29 C28 C27 120.12(15) . . ?
C29 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C30 C29 C28 120.24(16) . . ?
C30 C29 H29 119.9 . . ?
C28 C29 H29 119.9 . . ?
C29 C30 C31 120.03(15) . . ?
C29 C30 H30 120.0 . . ?
C31 C30 H30 120.0 . . ?
C30 C31 C32 120.24(17) . . ?
C30 C31 H31 119.9 . . ?
C32 C31 H31 119.9 . . ?
C31 C32 C27 120.05(16) . . ?
C31 C32 H32 120.0 . . ?
C27 C32 H32 120.0 . . ?
C34 C33 C38 119.27(17) . . ?
C34 C33 P3 122.91(13) . . ?
C38 C33 P3 117.58(14) . . ?
C33 C34 C35 119.78(19) . . ?
C33 C34 H34 120.1 . . ?
C35 C34 H34 120.1 . . ?
C36 C35 C34 120.5(2) . . ?
C36 C35 H35 119.8 . . ?
C34 C35 H35 119.8 . . ?
C35 C36 C37 120.31(18) . . ?
C35 C36 H36 119.8 . . ?
C37 C36 H36 119.8 . . ?
C36 C37 C38 120.3(2) . . ?
C36 C37 H37 119.9 . . ?
C38 C37 H37 119.9 . . ?
C37 C38 C33 119.9(2) . . ?
C37 C38 H38 120.1 . . ?
C33 C38 H38 120.1 . . ?
C44 C39 C40 119.49(15) . . ?
C44 C39 P3 120.12(12) . . ?
C40 C39 P3 120.39(12) . . ?
C41 C40 C39 120.34(16) . . ?
C41 C40 H40 119.8 . . ?
C39 C40 H40 119.8 . . ?
C42 C41 C40 119.91(16) . . ?
C42 C41 H41 120.0 . . ?
C40 C41 H41 120.0 . . ?
C43 C42 C41 120.08(16) . . ?
C43 C42 H42 120.0 . . ?
C41 C42 H42 120.0 . . ?
C42 C43 C44 120.40(16) . . ?
C42 C43 H43 119.8 . . ?
C44 C43 H43 119.8 . . ?
C39 C44 C43 119.74(15) . . ?
C39 C44 H44 120.1 . . ?
C43 C44 H44 120.1 . . ?
C50 C45 N2 124.01(15) . . ?
C50 C45 C46 118.17(16) . . ?
N2 C45 C46 117.78(16) . . ?
C47 C46 C45 120.37(18) . . ?
C47 C46 H46 119.8 . . ?
C45 C46 H46 119.8 . . ?
C46 C47 C48 121.72(17) . . ?
C46 C47 H47 119.1 . . ?
C48 C47 H47 119.1 . . ?
C49 C48 C47 117.65(17) . . ?
C49 C48 C51 121.1(2) . . ?
C47 C48 C51 121.27(18) . . ?
C50 C49 C48 121.36(18) . . ?
C50 C49 H49 119.3 . . ?
C48 C49 H49 119.3 . . ?
C49 C50 C45 120.69(16) . . ?
C49 C50 H50 119.7 . . ?
C45 C50 H50 119.7 . . ?
C48 C51 H51A 109.5 . . ?
C48 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C48 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C9A C8A C13A 111.3(4) . . ?
C9A C8A P1 118.9(3) . . ?
C13A C8A P1 112.9(4) . . ?
C9A C8A H8A 103.9 . . ?
C13A C8A H8A 103.9 . . ?
P1 C8A H8A 103.9 . . ?
C10A C9A C8A 110.1(3) . . ?
C10A C9A H9AA 109.6 . . ?
C8A C9A H9AA 109.6 . . ?
C10A C9A H9AB 109.6 . . ?
C8A C9A H9AB 109.6 . . ?
H9AA C9A H9AB 108.2 . . ?
C11A C10A C9A 111.4(2) . . ?
C11A C10A H10A 109.3 . . ?
C9A C10A H10A 109.3 . . ?
C11A C10A H10B 109.3 . . ?
C9A C10A H10B 109.3 . . ?
H10A C10A H10B 108.0 . . ?
C12A C11A C10A 110.9(3) . . ?
C12A C11A H11A 109.5 . . ?
C10A C11A H11A 109.5 . . ?
C12A C11A H11B 109.5 . . ?
C10A C11A H11B 109.5 . . ?
H11A C11A H11B 108.0 . . ?
C11A C12A C13A 111.3(3) . . ?
C11A C12A H12A 109.4 . . ?
C13A C12A H12A 109.4 . . ?
C11A C12A H12B 109.4 . . ?
C13A C12A H12B 109.4 . . ?
H12A C12A H12B 108.0 . . ?
C12A C13A C8A 110.7(6) . . ?
C12A C13A H13A 109.5 . . ?
C8A C13A H13A 109.5 . . ?
C12A C13A H13B 109.5 . . ?
C8A C13A H13B 109.5 . . ?
H13A C13A H13B 108.1 . . ?
C9 C8 C13 110.9(10) . . ?
C9 C8 P1 114.2(7) . . ?
C13 C8 P1 104.7(9) . . ?
C9 C8 H8 109.0 . . ?
C13 C8 H8 109.0 . . ?
P1 C8 H8 109.0 . . ?
C8 C9 C10 110.6(7) . . ?
C8 C9 H9A 109.5 . . ?
C10 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C10 C9 H9B 109.5 . . ?
H9A C9 H9B 108.1 . . ?
C9 C10 C11 110.7(6) . . ?
C9 C10 H10C 109.5 . . ?
C11 C10 H10C 109.5 . . ?
C9 C10 H10D 109.5 . . ?
C11 C10 H10D 109.5 . . ?
H10C C10 H10D 108.1 . . ?
C12 C11 C10 112.1(6) . . ?
C12 C11 H11C 109.2 . . ?
C10 C11 H11C 109.2 . . ?
C12 C11 H11D 109.2 . . ?
C10 C11 H11D 109.2 . . ?
H11C C11 H11D 107.9 . . ?
C11 C12 C13 111.2(9) . . ?
C11 C12 H12C 109.4 . . ?
C13 C12 H12C 109.4 . . ?
C11 C12 H12D 109.4 . . ?
C13 C12 H12D 109.4 . . ?
H12C C12 H12D 108.0 . . ?
C12 C13 C8 111.3(12) . . ?
C12 C13 H13C 109.4 . . ?
C8 C13 H13C 109.4 . . ?
C12 C13 H13D 109.4 . . ?
C8 C13 H13D 109.4 . . ?
H13C C13 H13D 108.0 . . ?
C91 C90 C93 100.4(6) . . ?
C91 C90 H90A 111.7 . . ?
C93 C90 H90A 111.7 . . ?
C91 C90 H90B 111.7 . . ?
C93 C90 H90B 111.7 . . ?
H90A C90 H90B 109.5 . . ?
C92 C91 C90 104.5(6) . . ?
C92 C91 H91A 110.8 . . ?
C90 C91 H91A 110.8 . . ?
C92 C91 H91B 110.8 . . ?
C90 C91 H91B 110.8 . . ?
H91A C91 H91B 108.9 . . ?
O1A C92 C91 107.6(4) . . ?
O1A C92 H92A 110.2 . . ?
C91 C92 H92A 110.2 . . ?
O1A C92 H92B 110.2 . . ?
C91 C92 H92B 110.2 . . ?
H92A C92 H92B 108.5 . . ?
O1A C93 C90 107.5(4) . . ?
O1A C93 H93A 110.2 . . ?
C90 C93 H93A 110.2 . . ?
O1A C93 H93B 110.2 . . ?
C90 C93 H93B 110.2 . . ?
H93A C93 H93B 108.5 . . ?
C93 O1A C92 107.7(3) . . ?
C90B O1B C93B 109.2(13) . . ?
O1B C90B C91B 109.4(18) . . ?
O1B C90B H90C 109.8 . . ?
C91B C90B H90C 109.8 . . ?
O1B C90B H90D 109.8 . . ?
C91B C90B H90D 109.8 . . ?
H90C C90B H90D 108.2 . . ?
C90B C91B C92B 96.6(18) . . ?
C90B C91B H91C 112.4 . . ?
C92B C91B H91C 112.4 . . ?
C90B C91B H91D 112.4 . . ?
C92B C91B H91D 112.4 . . ?
H91C C91B H91D 110.0 . . ?
C93B C92B C91B 102.0(14) . . ?
C93B C92B H92C 111.4 . . ?
C91B C92B H92C 111.4 . . ?
C93B C92B H92D 111.4 . . ?
C91B C92B H92D 111.4 . . ?
H92C C92B H92D 109.2 . . ?
O1B C93B C92B 109.0(15) . . ?
O1B C93B H93C 109.9 . . ?
C92B C93B H93C 109.9 . . ?
O1B C93B H93D 109.9 . . ?
C92B C93B H93D 109.9 . . ?
H93C C93B H93D 108.3 . . ?
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 C1 2.1176(15) . ?
Rh1 P1 2.1357(5) . ?
Rh1 N2 2.1383(14) . ?
Rh1 Cl1 2.3762(4) . ?
Rh1 P3 2.7410(4) . ?
P1 N1 1.7667(14) . ?
P1 C8A 1.829(5) . ?
P1 C2 1.8552(15) . ?
P1 C8 1.915(12) . ?
P2 N1 1.6786(14) . ?
P2 C1 1.7320(17) . ?
P2 C27 1.8005(15) . ?
P2 C21 1.8204(16) . ?
P3 N2 1.5934(14) . ?
P3 C1 1.7833(17) . ?
P3 C39 1.8045(16) . ?
P3 C33 1.8186(17) . ?
N1 C14 1.442(2) . ?
N2 C45 1.401(2) . ?
C1 H1 0.96(2) . ?
C2 C3 1.528(2) . ?
C2 C7 1.530(2) . ?
C2 H2 1.0000 . ?
C3 C4 1.535(2) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.527(3) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.509(3) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.533(2) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C14 C15 1.392(2) . ?
C14 C19 1.393(2) . ?
C15 C16 1.382(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.393(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.393(3) . ?
C17 C20 1.509(3) . ?
C18 C19 1.387(3) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C26 1.388(2) . ?
C21 C22 1.399(2) . ?
C22 C23 1.388(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.372(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.379(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.394(3) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C32 1.395(2) . ?
C27 C28 1.400(2) . ?
C28 C29 1.386(2) . ?
C28 H28 0.9500 . ?
C29 C30 1.385(3) . ?
C29 H29 0.9500 . ?
C30 C31 1.386(3) . ?
C30 H30 0.9500 . ?
C31 C32 1.390(2) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 C34 1.390(3) . ?
C33 C38 1.398(2) . ?
C34 C35 1.393(3) . ?
C34 H34 0.9500 . ?
C35 C36 1.368(3) . ?
C35 H35 0.9500 . ?
C36 C37 1.375(3) . ?
C36 H36 0.9500 . ?
C37 C38 1.388(3) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C39 C44 1.392(2) . ?
C39 C40 1.394(2) . ?
C40 C41 1.386(2) . ?
C40 H40 0.9500 . ?
C41 C42 1.385(3) . ?
C41 H41 0.9500 . ?
C42 C43 1.381(3) . ?
C42 H42 0.9500 . ?
C43 C44 1.392(2) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C45 C50 1.388(2) . ?
C45 C46 1.402(2) . ?
C46 C47 1.380(3) . ?
C46 H46 0.9500 . ?
C47 C48 1.389(3) . ?
C47 H47 0.9500 . ?
C48 C49 1.388(3) . ?
C48 C51 1.506(3) . ?
C49 C50 1.388(2) . ?
C49 H49 0.9500 . ?
C50 H50 0.9500 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C8A C9A 1.535(5) . ?
C8A C13A 1.543(9) . ?
C8A H8A 1.0000 . ?
C9A C10A 1.535(4) . ?
C9A H9AA 0.9900 . ?
C9A H9AB 0.9900 . ?
C10A C11A 1.524(4) . ?
C10A H10A 0.9900 . ?
C10A H10B 0.9900 . ?
C11A C12A 1.518(4) . ?
C11A H11A 0.9900 . ?
C11A H11B 0.9900 . ?
C12A C13A 1.527(9) . ?
C12A H12A 0.9900 . ?
C12A H12B 0.9900 . ?
C13A H13A 0.9900 . ?
C13A H13B 0.9900 . ?
C8 C9 1.497(13) . ?
C8 C13 1.54(2) . ?
C8 H8 1.0000 . ?
C9 C10 1.523(10) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.535(10) . ?
C10 H10C 0.9900 . ?
C10 H10D 0.9900 . ?
C11 C12 1.497(10) . ?
C11 H11C 0.9900 . ?
C11 H11D 0.9900 . ?
C12 C13 1.53(2) . ?
C12 H12C 0.9900 . ?
C12 H12D 0.9900 . ?
C13 H13C 0.9900 . ?
C13 H13D 0.9900 . ?
C90 C91 1.502(10) . ?
C90 C93 1.506(8) . ?
C90 H90A 0.9900 . ?
C90 H90B 0.9900 . ?
C91 C92 1.451(12) . ?
C91 H91A 0.9900 . ?
C91 H91B 0.9900 . ?
C92 O1A 1.438(5) . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
C93 O1A 1.410(6) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
O1B C90B 1.39(2) . ?
O1B C93B 1.418(18) . ?
C90B C91B 1.59(3) . ?
C90B H90C 0.9900 . ?
C90B H90D 0.9900 . ?
C91B C92B 1.63(4) . ?
C91B H91C 0.9900 . ?
C91B H91D 0.9900 . ?
C92B C93B 1.44(3) . ?
C92B H92C 0.9900 . ?
C92B H92D 0.9900 . ?
C93B H93C 0.9900 . ?
C93B H93D 0.9900 . ?
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
C1 P2 N1 C14 161.74(12) . . . . ?
C27 P2 N1 C14 -73.37(13) . . . . ?
C21 P2 N1 C14 42.59(13) . . . . ?
C1 P2 N1 P1 -24.69(10) . . . . ?
C27 P2 N1 P1 100.20(9) . . . . ?
C21 P2 N1 P1 -143.84(8) . . . . ?
C8A P1 N1 C14 41.19(19) . . . . ?
C2 P1 N1 C14 -70.34(13) . . . . ?
C8 P1 N1 C14 30.8(3) . . . . ?
Rh1 P1 N1 C14 162.23(11) . . . . ?
C8A P1 N1 P2 -132.06(15) . . . . ?
C2 P1 N1 P2 116.41(8) . . . . ?
C8 P1 N1 P2 -142.5(3) . . . . ?
Rh1 P1 N1 P2 -11.02(8) . . . . ?
C1 P3 N2 C45 176.51(14) . . . . ?
C39 P3 N2 C45 52.30(17) . . . . ?
C33 P3 N2 C45 -69.18(16) . . . . ?
Rh1 P3 N2 C45 -177.31(18) . . . . ?
C1 P3 N2 Rh1 -6.18(7) . . . . ?
C39 P3 N2 Rh1 -130.39(7) . . . . ?
C33 P3 N2 Rh1 108.13(8) . . . . ?
N1 P2 C1 P3 143.50(10) . . . . ?
C27 P2 C1 P3 17.66(13) . . . . ?
C21 P2 C1 P3 -104.22(11) . . . . ?
N1 P2 C1 Rh1 47.93(8) . . . . ?
C27 P2 C1 Rh1 -77.92(8) . . . . ?
C21 P2 C1 Rh1 160.21(6) . . . . ?
N2 P3 C1 P2 -94.81(11) . . . . ?
C39 P3 C1 P2 29.15(13) . . . . ?
C33 P3 C1 P2 145.58(10) . . . . ?
Rh1 P3 C1 P2 -101.05(11) . . . . ?
N2 P3 C1 Rh1 6.24(7) . . . . ?
C39 P3 C1 Rh1 130.20(6) . . . . ?
C33 P3 C1 Rh1 -113.37(7) . . . . ?
N1 P1 C2 C3 -57.89(14) . . . . ?
C8A P1 C2 C3 -171.91(18) . . . . ?
C8 P1 C2 C3 -158.2(3) . . . . ?
Rh1 P1 C2 C3 55.30(14) . . . . ?
N1 P1 C2 C7 -177.91(13) . . . . ?
C8A P1 C2 C7 68.07(19) . . . . ?
C8 P1 C2 C7 81.8(3) . . . . ?
Rh1 P1 C2 C7 -64.72(14) . . . . ?
C7 C2 C3 C4 -56.1(2) . . . . ?
P1 C2 C3 C4 -174.14(14) . . . . ?
C2 C3 C4 C5 58.2(2) . . . . ?
C3 C4 C5 C6 -56.8(2) . . . . ?
C4 C5 C6 C7 54.8(2) . . . . ?
C3 C2 C7 C6 53.6(2) . . . . ?
P1 C2 C7 C6 174.70(16) . . . . ?
C5 C6 C7 C2 -53.8(3) . . . . ?
P2 N1 C14 C15 69.09(18) . . . . ?
P1 N1 C14 C15 -103.74(16) . . . . ?
P2 N1 C14 C19 -110.56(15) . . . . ?
P1 N1 C14 C19 76.60(18) . . . . ?
C19 C14 C15 C16 0.6(3) . . . . ?
N1 C14 C15 C16 -179.11(16) . . . . ?
C14 C15 C16 C17 -0.7(3) . . . . ?
C15 C16 C17 C18 -0.3(3) . . . . ?
C15 C16 C17 C20 179.14(18) . . . . ?
C16 C17 C18 C19 1.5(3) . . . . ?
C20 C17 C18 C19 -178.03(17) . . . . ?
C17 C18 C19 C14 -1.6(3) . . . . ?
C15 C14 C19 C18 0.5(2) . . . . ?
N1 C14 C19 C18 -179.80(15) . . . . ?
N1 P2 C21 C26 102.07(15) . . . . ?
C1 P2 C21 C26 -13.46(17) . . . . ?
C27 P2 C21 C26 -137.74(14) . . . . ?
N1 P2 C21 C22 -71.01(15) . . . . ?
C1 P2 C21 C22 173.46(14) . . . . ?
C27 P2 C21 C22 49.17(16) . . . . ?
C26 C21 C22 C23 -0.8(3) . . . . ?
P2 C21 C22 C23 172.33(15) . . . . ?
C21 C22 C23 C24 0.1(3) . . . . ?
C22 C23 C24 C25 0.3(3) . . . . ?
C23 C24 C25 C26 0.0(4) . . . . ?
C22 C21 C26 C25 1.1(3) . . . . ?
P2 C21 C26 C25 -172.32(17) . . . . ?
C24 C25 C26 C21 -0.7(4) . . . . ?
N1 P2 C27 C32 129.16(14) . . . . ?
C1 P2 C27 C32 -108.32(15) . . . . ?
C21 P2 C27 C32 16.39(17) . . . . ?
N1 P2 C27 C28 -53.97(16) . . . . ?
C1 P2 C27 C28 68.55(15) . . . . ?
C21 P2 C27 C28 -166.74(13) . . . . ?
C32 C27 C28 C29 -0.9(3) . . . . ?
P2 C27 C28 C29 -177.84(13) . . . . ?
C27 C28 C29 C30 0.2(3) . . . . ?
C28 C29 C30 C31 0.6(3) . . . . ?
C29 C30 C31 C32 -0.7(3) . . . . ?
C30 C31 C32 C27 0.0(3) . . . . ?
C28 C27 C32 C31 0.8(3) . . . . ?
P2 C27 C32 C31 177.63(14) . . . . ?
N2 P3 C33 C34 119.99(15) . . . . ?
C1 P3 C33 C34 -128.93(15) . . . . ?
C39 P3 C33 C34 -6.39(17) . . . . ?
Rh1 P3 C33 C34 177.32(13) . . . . ?
N2 P3 C33 C38 -54.38(16) . . . . ?
C1 P3 C33 C38 56.71(16) . . . . ?
C39 P3 C33 C38 179.24(14) . . . . ?
Rh1 P3 C33 C38 2.95(16) . . . . ?
C38 C33 C34 C35 -0.6(3) . . . . ?
P3 C33 C34 C35 -174.89(15) . . . . ?
C33 C34 C35 C36 0.0(3) . . . . ?
C34 C35 C36 C37 0.5(3) . . . . ?
C35 C36 C37 C38 -0.4(3) . . . . ?
C36 C37 C38 C33 -0.3(3) . . . . ?
C34 C33 C38 C37 0.8(3) . . . . ?
P3 C33 C38 C37 175.34(15) . . . . ?
N2 P3 C39 C44 -5.69(17) . . . . ?
C1 P3 C39 C44 -122.40(14) . . . . ?
C33 P3 C39 C44 120.40(14) . . . . ?
Rh1 P3 C39 C44 -64.30(17) . . . . ?
N2 P3 C39 C40 174.20(14) . . . . ?
C1 P3 C39 C40 57.49(17) . . . . ?
C33 P3 C39 C40 -59.71(16) . . . . ?
Rh1 P3 C39 C40 115.59(14) . . . . ?
C44 C39 C40 C41 -1.9(3) . . . . ?
P3 C39 C40 C41 178.23(15) . . . . ?
C39 C40 C41 C42 0.2(3) . . . . ?
C40 C41 C42 C43 1.6(3) . . . . ?
C41 C42 C43 C44 -1.8(3) . . . . ?
C40 C39 C44 C43 1.7(3) . . . . ?
P3 C39 C44 C43 -178.36(13) . . . . ?
C42 C43 C44 C39 0.1(3) . . . . ?
P3 N2 C45 C50 27.8(2) . . . . ?
Rh1 N2 C45 C50 -148.25(14) . . . . ?
P3 N2 C45 C46 -149.76(14) . . . . ?
Rh1 N2 C45 C46 34.2(2) . . . . ?
C50 C45 C46 C47 -1.9(3) . . . . ?
N2 C45 C46 C47 175.80(16) . . . . ?
C45 C46 C47 C48 0.0(3) . . . . ?
C46 C47 C48 C49 1.5(3) . . . . ?
C46 C47 C48 C51 -178.7(2) . . . . ?
C47 C48 C49 C50 -1.2(3) . . . . ?
C51 C48 C49 C50 179.1(2) . . . . ?
C48 C49 C50 C45 -0.7(3) . . . . ?
N2 C45 C50 C49 -175.31(16) . . . . ?
C46 C45 C50 C49 2.3(3) . . . . ?
N1 P1 C8A C9A -68.4(3) . . . . ?
C2 P1 C8A C9A 42.0(3) . . . . ?
Rh1 P1 C8A C9A 178.9(2) . . . . ?
N1 P1 C8A C13A 64.7(3) . . . . ?
C2 P1 C8A C13A 175.1(3) . . . . ?
Rh1 P1 C8A C13A -47.9(4) . . . . ?
C13A C8A C9A C10A 55.5(5) . . . . ?
P1 C8A C9A C10A -170.6(3) . . . . ?
C8A C9A C10A C11A -56.3(4) . . . . ?
C9A C10A C11A C12A 57.0(4) . . . . ?
C10A C11A C12A C13A -56.6(5) . . . . ?
C11A C12A C13A C8A 55.8(5) . . . . ?
C9A C8A C13A C12A -55.5(5) . . . . ?
P1 C8A C13A C12A 167.7(3) . . . . ?
C13 C8 C9 C10 -57.5(11) . . . . ?
P1 C8 C9 C10 -175.5(5) . . . . ?
C8 C9 C10 C11 56.9(9) . . . . ?
C9 C10 C11 C12 -55.5(9) . . . . ?
C10 C11 C12 C13 54.1(10) . . . . ?
C11 C12 C13 C8 -54.1(12) . . . . ?
C9 C8 C13 C12 56.2(13) . . . . ?
P1 C8 C13 C12 179.8(9) . . . . ?
C93 C90 C91 C92 -34.0(9) . . . . ?
C90 C91 C92 O1A 26.2(9) . . . . ?
C91 C90 C93 O1A 30.9(7) . . . . ?
C90 C93 O1A C92 -16.0(6) . . . . ?
C91 C92 O1A C93 -6.5(7) . . . . ?
C93B O1B C90B C91B 3(2) . . . . ?
O1B C90B C91B C92B -23(2) . . . . ?
C90B C91B C92B C93B 34(2) . . . . ?
C90B O1B C93B C92B 22(2) . . . . ?
C91B C92B C93B O1B -36(2) . . . . ?
