#------------------------------------------------------------------------------
#$Date: 2023-05-05 04:07:41 +0300 (Fri, 05 May 2023) $
#$Revision: 283173 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/86/1568652.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_1568652
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            'C53 H59 I N2 O P3 Rh'
_chemical_formula_weight         1062.74
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-12-02 deposited with the CCDC.	2023-03-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   43.4288(5)
_cell_length_b                   43.4288(5)
_cell_length_c                   13.10301(16)
_cell_measurement_reflns_used    33879
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      75.261
_cell_measurement_theta_min      3.517
_cell_volume                     21402.1(4)
_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 1.000
_diffrn_measured_fraction_theta_max 0.978
_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  0.0684
_diffrn_reflns_av_unetI/netI     0.0288
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       53
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       52
_diffrn_reflns_limit_k_min       -54
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            71153
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.236
_diffrn_reflns_theta_min         3.525
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    9.259
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.343
_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            yellow
_exptl_crystal_density_diffrn    1.484
_exptl_crystal_description       needle
_exptl_crystal_F_000             9756
_exptl_crystal_size_max          0.207
_exptl_crystal_size_mid          0.081
_exptl_crystal_size_min          0.048
_refine_diff_density_max         0.870
_refine_diff_density_min         -1.355
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         9742
_refine_ls_number_restraints     267
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_all          0.0573
_refine_ls_R_factor_gt           0.0506
_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)+(0.0520P)²+112.9643P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1252
_refine_ls_wR_factor_ref         0.1292
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8403
_reflns_number_total             9742
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc06759e2.cif
_cod_data_source_block           pd-184
_cod_depositor_comments
'Adding full bibliography for 1568644--1568653.cif.'
_cod_original_cell_volume        21402.2(6)
_cod_database_code               1568652
_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   0.250
_shelx_estimated_absorpt_t_max   0.665
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
I1 I 0.55515(2) 0.78524(2) 0.25558(3) 0.06396(12) Uani 1 1 d . . . . .
Rh1 Rh 0.55560(2) 0.72211(2) 0.30422(2) 0.04615(10) Uani 1 1 d . . . . .
P1 P 0.60055(3) 0.73429(3) 0.19729(8) 0.0453(2) Uani 1 1 d . . . . .
P2 P 0.57388(4) 0.74815(3) 0.50796(9) 0.0554(3) Uani 1 1 d D U . . .
N2 N 0.53601(15) 0.7231(3) 0.4564(7) 0.0560(19) Uani 0.799(13) 1 d D U P A 1
C28 C 0.5024(2) 0.7082(3) 0.5007(11) 0.070(2) Uani 0.799(13) 1 d D U P A 1
C29 C 0.4890(2) 0.7297(3) 0.5377(7) 0.085(3) Uani 0.799(13) 1 d D U P A 1
H29 H 0.503673 0.754823 0.540782 0.103 Uiso 0.799(13) 1 calc R U P A 1
C30 C 0.4527(3) 0.7126(3) 0.5706(9) 0.101(3) Uani 0.799(13) 1 d D U P A 1
H30 H 0.443420 0.726566 0.598268 0.122 Uiso 0.799(13) 1 calc R U P A 1
C31 C 0.4310(3) 0.6765(4) 0.5628(9) 0.111(3) Uani 0.799(13) 1 d D U P A 1
C32 C 0.4458(3) 0.6559(3) 0.5365(7) 0.102(3) Uani 0.799(13) 1 d D U P A 1
H32 H 0.431639 0.630722 0.539094 0.123 Uiso 0.799(13) 1 calc R U P A 1
C33 C 0.4810(3) 0.6714(3) 0.5063(7) 0.082(3) Uani 0.799(13) 1 d D U P A 1
H33 H 0.490755 0.656784 0.489209 0.098 Uiso 0.799(13) 1 calc R U P A 1
C34 C 0.3903(3) 0.6597(4) 0.5814(11) 0.148(5) Uani 0.799(13) 1 d D U P A 1
H34A H 0.386218 0.665152 0.650916 0.222 Uiso 0.799(13) 1 calc R U P A 1
H34B H 0.378678 0.633847 0.572690 0.222 Uiso 0.799(13) 1 calc R U P A 1
H34C H 0.380487 0.669489 0.532271 0.222 Uiso 0.799(13) 1 calc R U P A 1
N2' N 0.5342(4) 0.7235(13) 0.467(3) 0.062(7) Uani 0.201(13) 1 d D U P A 2
C28' C 0.4996(4) 0.7130(9) 0.497(4) 0.075(6) Uani 0.201(13) 1 d D U P A 2
C29' C 0.4877(6) 0.7380(8) 0.503(3) 0.089(7) Uani 0.201(13) 1 d D U P A 2
H29' H 0.503965 0.762520 0.492485 0.107 Uiso 0.201(13) 1 calc R U P A 2
C30' C 0.4511(7) 0.7260(8) 0.525(3) 0.104(7) Uani 0.201(13) 1 d D U P A 2
H30' H 0.444466 0.742787 0.546037 0.125 Uiso 0.201(13) 1 calc R U P A 2
C31' C 0.4255(6) 0.6908(9) 0.517(4) 0.114(7) Uani 0.201(13) 1 d D U P A 2
C32' C 0.4370(7) 0.6666(8) 0.504(4) 0.106(7) Uani 0.201(13) 1 d D U P A 2
H32' H 0.420231 0.641861 0.507916 0.127 Uiso 0.201(13) 1 calc R U P A 2
C33' C 0.4726(7) 0.6775(8) 0.486(3) 0.079(6) Uani 0.201(13) 1 d D U P A 2
H33' H 0.478777 0.660312 0.465635 0.094 Uiso 0.201(13) 1 calc R U P A 2
C34' C 0.3856(6) 0.6802(13) 0.523(4) 0.144(14) Uani 0.201(13) 1 d D U P A 2
H34D H 0.382702 0.695729 0.571558 0.217 Uiso 0.201(13) 1 calc R U P A 2
H34E H 0.371390 0.655436 0.545411 0.217 Uiso 0.201(13) 1 calc R U P A 2
H34F H 0.377454 0.682778 0.455289 0.217 Uiso 0.201(13) 1 calc R U P A 2
P3 P 0.50388(3) 0.68527(3) 0.21332(9) 0.0535(3) Uani 1 1 d . . . . .
O1 O 0.63693(9) 0.76023(8) 0.2658(2) 0.0505(7) Uani 1 1 d . . . . .
N1 N 0.49990(11) 0.64540(10) 0.2331(3) 0.0551(9) Uani 1 1 d D . . . .
C1 C 0.60832(14) 0.76307(12) 0.0865(3) 0.0525(10) Uani 1 1 d . . . . .
H1A H 0.595903 0.776522 0.104113 0.063 Uiso 1 1 calc R U . . .
C2 C 0.59059(16) 0.74367(13) -0.0118(3) 0.0603(12) Uani 1 1 d . . . . .
H2A H 0.565480 0.725667 0.001992 0.072 Uiso 1 1 calc R U . . .
H2B H 0.602811 0.731222 -0.038065 0.072 Uiso 1 1 calc R U . . .
C3 C 0.59218(17) 0.77008(14) -0.0916(4) 0.0675(14) Uani 1 1 d . . . . .
H3A H 0.582448 0.757432 -0.156844 0.081 Uiso 1 1 calc R U . . .
H3B H 0.577113 0.779945 -0.068958 0.081 Uiso 1 1 calc R U . . .
C4 C 0.62945(18) 0.80004(15) -0.1086(4) 0.0724(16) Uani 1 1 d . . . . .
H4A H 0.628856 0.817657 -0.155308 0.087 Uiso 1 1 calc R U . . .
H4B H 0.643539 0.790646 -0.141785 0.087 Uiso 1 1 calc R U . . .
C5 C 0.64751(16) 0.81841(13) -0.0095(4) 0.0634(13) Uani 1 1 d . . . . .
H5A H 0.635353 0.830599 0.019247 0.076 Uiso 1 1 calc R U . . .
H5B H 0.672522 0.836612 -0.023561 0.076 Uiso 1 1 calc R U . . .
C6 C 0.64653(15) 0.79169(13) 0.0681(4) 0.0600(12) Uani 1 1 d . . . . .
H6A H 0.660298 0.780809 0.042052 0.072 Uiso 1 1 calc R U . . .
H6B H 0.657454 0.803984 0.133039 0.072 Uiso 1 1 calc R U . . .
C7 C 0.60993(13) 0.69881(12) 0.1629(3) 0.0488(10) Uani 1 1 d . . . . .
H7 H 0.609953 0.687302 0.228968 0.059 Uiso 1 1 calc R U . . .
C8 C 0.58038(14) 0.66918(12) 0.0989(4) 0.0551(11) Uani 1 1 d . . . . .
H8A H 0.557028 0.661465 0.131207 0.066 Uiso 1 1 calc R U . . .
H8B H 0.580126 0.678291 0.029852 0.066 Uiso 1 1 calc R U . . .
C9 C 0.58651(17) 0.63776(14) 0.0907(4) 0.0669(14) Uani 1 1 d . . . . .
H9A H 0.567811 0.619212 0.047121 0.080 Uiso 1 1 calc R U . . .
H9B H 0.584689 0.627462 0.159344 0.080 Uiso 1 1 calc R U . . .
C10 C 0.62284(17) 0.64877(15) 0.0455(4) 0.0663(14) Uani 1 1 d . . . . .
H10A H 0.626682 0.628141 0.045805 0.080 Uiso 1 1 calc R U . . .
H10B H 0.623625 0.656311 -0.026170 0.080 Uiso 1 1 calc R U . . .
C11 C 0.65233(16) 0.67910(14) 0.1059(4) 0.0634(13) Uani 1 1 d . . . . .
H11A H 0.675376 0.686876 0.071529 0.076 Uiso 1 1 calc R U . . .
H11B H 0.653570 0.670506 0.174881 0.076 Uiso 1 1 calc R U . . .
C12 C 0.64632(14) 0.71088(13) 0.1156(4) 0.0563(11) Uani 1 1 d . . . . .
H12A H 0.665113 0.729399 0.159035 0.068 Uiso 1 1 calc R U . . .
H12B H 0.647647 0.721255 0.047388 0.068 Uiso 1 1 calc R U . . .
C13 C 0.59823(14) 0.75269(12) 0.3967(3) 0.0506(10) Uani 1 1 d . . . . .
C14 C 0.63114(13) 0.76820(12) 0.3653(3) 0.0479(10) Uani 1 1 d . . . . .
C15 C 0.66512(14) 0.79456(14) 0.4146(4) 0.0595(12) Uani 1 1 d . . . . .
H15A H 0.679398 0.783353 0.429288 0.089 Uiso 1 1 calc R U . . .
H15B H 0.659996 0.802918 0.478342 0.089 Uiso 1 1 calc R U . . .
H15C H 0.678347 0.814777 0.368509 0.089 Uiso 1 1 calc R U . . .
C16 C 0.58573(16) 0.72808(14) 0.6118(4) 0.0615(13) Uani 1 1 d . . . . .
C17 C 0.62127(18) 0.73989(17) 0.6326(5) 0.0798(17) Uani 1 1 d . . . . .
H17 H 0.639237 0.758518 0.592870 0.096 Uiso 1 1 calc R U . . .
C18 C 0.6308(2) 0.72474(18) 0.7107(5) 0.0854(19) Uani 1 1 d . . . . .
H18 H 0.655166 0.732760 0.723310 0.102 Uiso 1 1 calc R U . . .
C19 C 0.60559(19) 0.69870(17) 0.7689(4) 0.0746(16) Uani 1 1 d . . . . .
H19 H 0.612391 0.688741 0.822880 0.090 Uiso 1 1 calc R U . . .
C20 C 0.5708(2) 0.68670(17) 0.7509(4) 0.0766(16) Uani 1 1 d . . . . .
H20 H 0.553340 0.668531 0.792862 0.092 Uiso 1 1 calc R U . . .
C21 C 0.56015(18) 0.70095(17) 0.6700(4) 0.0732(15) Uani 1 1 d . . . . .
H21 H 0.535638 0.691885 0.656105 0.088 Uiso 1 1 calc R U . . .
C22 C 0.57990(16) 0.78849(15) 0.5649(4) 0.0655(14) Uani 1 1 d . . . . .
C23 C 0.56554(19) 0.78663(18) 0.6633(4) 0.0780(17) Uani 1 1 d . . . . .
H23 H 0.554831 0.764756 0.699583 0.094 Uiso 1 1 calc R U . . .
C24 C 0.5669(2) 0.8157(2) 0.7064(5) 0.088(2) Uani 1 1 d . . . . .
H24 H 0.556831 0.814137 0.771929 0.106 Uiso 1 1 calc R U . . .
C25 C 0.5831(2) 0.84747(19) 0.6538(5) 0.088(2) Uani 1 1 d . . . . .
H25 H 0.584855 0.868061 0.684987 0.105 Uiso 1 1 calc R U . . .
C26 C 0.59680(19) 0.85007(18) 0.5564(6) 0.0833(18) Uani 1 1 d . . . . .
H26 H 0.607340 0.872055 0.520709 0.100 Uiso 1 1 calc R U . . .
C27 C 0.59497(17) 0.82005(15) 0.5114(5) 0.0742(16) Uani 1 1 d . . . . .
H27 H 0.604010 0.821348 0.444544 0.089 Uiso 1 1 calc R U . . .
C35 C 0.46154(15) 0.68113(16) 0.2526(4) 0.0666(13) Uani 1 1 d . . . . .
C36 C 0.45969(19) 0.7094(2) 0.2939(6) 0.0880(19) Uani 1 1 d . . . . .
H36 H 0.480913 0.731482 0.304091 0.106 Uiso 1 1 calc R U . . .
C37 C 0.4275(2) 0.7060(3) 0.3205(7) 0.113(3) Uani 1 1 d . . . . .
H37 H 0.426585 0.725574 0.349650 0.135 Uiso 1 1 calc R U . . .
C38 C 0.3966(2) 0.6741(3) 0.3044(7) 0.114(3) Uani 1 1 d . . . . .
H38 H 0.374316 0.671944 0.321297 0.137 Uiso 1 1 calc R U . . .
C39 C 0.3976(2) 0.6454(3) 0.2645(8) 0.113(3) Uani 1 1 d . . . . .
H39 H 0.376294 0.623266 0.255542 0.135 Uiso 1 1 calc R U . . .
C40 C 0.43033(18) 0.6491(2) 0.2373(6) 0.092(2) Uani 1 1 d . . . . .
H40 H 0.431288 0.629519 0.208116 0.110 Uiso 1 1 calc R U . . .
C41 C 0.49914(14) 0.68785(14) 0.0747(4) 0.0605(12) Uani 1 1 d . . . . .
C42 C 0.49526(14) 0.66161(14) 0.0077(4) 0.0631(13) Uani 1 1 d . . . . .
H42 H 0.496484 0.641682 0.032411 0.076 Uiso 1 1 calc R U . . .
C43 C 0.48956(16) 0.66407(18) -0.0964(4) 0.0759(16) Uani 1 1 d . . . . .
H43 H 0.486081 0.645467 -0.141435 0.091 Uiso 1 1 calc R U . . .
C44 C 0.48898(19) 0.6934(2) -0.1334(5) 0.090(2) Uani 1 1 d . . . . .
H44 H 0.485470 0.695266 -0.204149 0.108 Uiso 1 1 calc R U . . .
C45 C 0.4935(2) 0.7199(2) -0.0676(5) 0.097(2) Uani 1 1 d . . . . .
H45 H 0.492961 0.740091 -0.092918 0.116 Uiso 1 1 calc R U . . .
C46 C 0.4988(2) 0.71732(19) 0.0363(5) 0.0825(18) Uani 1 1 d . . . . .
H46 H 0.502329 0.736016 0.081016 0.099 Uiso 1 1 calc R U . . .
C47 C 0.55191(12) 0.67476(12) 0.3429(3) 0.0460(9) Uani 1 1 d . . . . .
C48 C 0.57432(11) 0.67132(11) 0.4113(3) 0.0431(9) Uani 1 1 d . . . . .
H48 H 0.593814 0.692355 0.438212 0.052 Uiso 1 1 calc R U . . .
C49 C 0.56979(12) 0.63851(12) 0.4429(3) 0.0462(9) Uani 1 1 d . . . . .
C50 C 0.54138(12) 0.60802(12) 0.4020(3) 0.0499(10) Uani 1 1 d . . . . .
H50 H 0.537591 0.585314 0.421521 0.060 Uiso 1 1 calc R U . . .
C51 C 0.51840(13) 0.61048(12) 0.3326(3) 0.0522(10) Uani 1 1 d . . . . .
H51 H 0.499119 0.589401 0.305126 0.063 Uiso 1 1 calc R U . . .
C52 C 0.52330(12) 0.64308(11) 0.3034(3) 0.0488(10) Uani 1 1 d . . . . .
C53 C 0.59470(13) 0.63695(13) 0.5202(4) 0.0542(11) Uani 1 1 d . . . . .
H53A H 0.616921 0.642126 0.486419 0.081 Uiso 1 1 calc R U . . .
H53B H 0.583587 0.613131 0.550390 0.081 Uiso 1 1 calc R U . . .
H53C H 0.599774 0.654560 0.573862 0.081 Uiso 1 1 calc R U . . .
H1 H 0.4831(9) 0.6249(7) 0.210(4) 0.055(14) Uiso 1 1 d D . . . .
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'
I I -0.3257 6.8362 '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
C47 Rh1 C13 95.54(17) . . ?
C47 Rh1 N2 87.6(4) . . ?
C13 Rh1 N2 71.39(19) . . ?
C47 Rh1 P1 90.77(12) . . ?
C13 Rh1 P1 79.55(14) . . ?
N2 Rh1 P1 150.59(15) . . ?
C47 Rh1 P3 82.66(13) . . ?
C13 Rh1 P3 174.49(14) . . ?
N2 Rh1 P3 103.28(14) . . ?
P1 Rh1 P3 105.63(4) . . ?
C47 Rh1 N2' 88.2(14) . . ?
C13 Rh1 N2' 71.7(3) . . ?
P1 Rh1 N2' 151.0(3) . . ?
P3 Rh1 N2' 103.0(2) . . ?
C47 Rh1 I1 175.56(12) . . ?
C13 Rh1 I1 86.94(12) . . ?
N2 Rh1 I1 89.7(4) . . ?
P1 Rh1 I1 93.31(3) . . ?
P3 Rh1 I1 94.53(3) . . ?
N2' Rh1 I1 89.1(14) . . ?
C47 Rh1 P2 91.90(12) . . ?
C13 Rh1 P2 37.60(14) . . ?
N2 Rh1 P2 33.79(14) . . ?
P1 Rh1 P2 117.04(4) . . ?
P3 Rh1 P2 137.06(5) . . ?
N2' Rh1 P2 34.1(2) . . ?
I1 Rh1 P2 87.82(3) . . ?
O1 P1 C1 100.13(19) . . ?
O1 P1 C7 99.57(19) . . ?
C1 P1 C7 109.6(2) . . ?
O1 P1 Rh1 103.99(11) . . ?
C1 P1 Rh1 119.84(17) . . ?
C7 P1 Rh1 119.20(15) . . ?
N2 P2 C13 94.7(4) . . ?
N2' P2 C13 100.4(13) . . ?
N2 P2 C22 115.9(4) . . ?
N2' P2 C22 112.0(16) . . ?
C13 P2 C22 116.7(3) . . ?
N2 P2 C16 115.5(5) . . ?
N2' P2 C16 114(2) . . ?
C13 P2 C16 112.1(2) . . ?
C22 P2 C16 102.6(2) . . ?
N2 P2 Rh1 49.2(3) . . ?
N2' P2 Rh1 54.9(13) . . ?
C13 P2 Rh1 45.50(16) . . ?
C22 P2 Rh1 130.58(18) . . ?
C16 P2 Rh1 126.72(16) . . ?
C28 N2 P2 128.5(6) . . ?
C28 N2 Rh1 134.5(6) . . ?
P2 N2 Rh1 97.0(4) . . ?
C33 C28 N2 119.8(8) . . ?
C33 C28 C29 119.0(8) . . ?
N2 C28 C29 121.2(7) . . ?
C28 C29 C30 118.1(9) . . ?
C28 C29 H29 120.9 . . ?
C30 C29 H29 120.9 . . ?
C31 C30 C29 121.1(10) . . ?
C31 C30 H30 119.5 . . ?
C29 C30 H30 119.5 . . ?
C30 C31 C32 119.1(10) . . ?
C30 C31 C34 119.5(13) . . ?
C32 C31 C34 121.5(11) . . ?
C31 C32 C33 120.9(10) . . ?
C31 C32 H32 119.6 . . ?
C33 C32 H32 119.5 . . ?
C32 C33 C28 120.9(10) . . ?
C32 C33 H33 119.5 . . ?
C28 C33 H33 119.5 . . ?
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 . . ?
C28' N2' P2 138.3(19) . . ?
C28' N2' Rh1 129(2) . . ?
P2 N2' Rh1 91.0(13) . . ?
N2' C28' C33' 120.3(15) . . ?
N2' C28' C29' 120.6(17) . . ?
C33' C28' C29' 115.0(15) . . ?
C28' C29' C30' 119.7(15) . . ?
C28' C29' H29' 120.2 . . ?
C30' C29' H29' 120.2 . . ?
C31' C30' C29' 121.5(15) . . ?
C31' C30' H30' 119.2 . . ?
C29' C30' H30' 119.2 . . ?
C30' C31' C32' 117.2(15) . . ?
C30' C31' C34' 119.2(18) . . ?
C32' C31' C34' 123.6(17) . . ?
C31' C32' C33' 121.6(16) . . ?
C31' C32' H32' 119.2 . . ?
C33' C32' H32' 119.2 . . ?
C32' C33' C28' 122.3(14) . . ?
C32' C33' H33' 118.9 . . ?
C28' C33' H33' 118.9 . . ?
C31' C34' H34D 109.5 . . ?
C31' C34' H34E 109.5 . . ?
H34D C34' H34E 109.5 . . ?
C31' C34' H34F 109.5 . . ?
H34D C34' H34F 109.5 . . ?
H34E C34' H34F 109.5 . . ?
N1 P3 C35 106.0(3) . . ?
N1 P3 C41 105.1(2) . . ?
C35 P3 C41 98.4(2) . . ?
N1 P3 Rh1 101.35(15) . . ?
C35 P3 Rh1 120.0(2) . . ?
C41 P3 Rh1 124.21(18) . . ?
C14 O1 P1 116.1(3) . . ?
C52 N1 P3 118.0(3) . . ?
C52 N1 H1 114(3) . . ?
P3 N1 H1 127(3) . . ?
C6 C1 C2 111.3(4) . . ?
C6 C1 P1 116.0(3) . . ?
C2 C1 P1 115.0(3) . . ?
C6 C1 H1A 104.3 . . ?
C2 C1 H1A 104.3 . . ?
P1 C1 H1A 104.3 . . ?
C1 C2 C3 110.1(4) . . ?
C1 C2 H2A 109.6 . . ?
C3 C2 H2A 109.6 . . ?
C1 C2 H2B 109.6 . . ?
C3 C2 H2B 109.6 . . ?
H2A C2 H2B 108.2 . . ?
C4 C3 C2 112.1(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 112.2(4) . . ?
C3 C4 H4A 109.2 . . ?
C5 C4 H4A 109.2 . . ?
C3 C4 H4B 109.2 . . ?
C5 C4 H4B 109.2 . . ?
H4A C4 H4B 107.9 . . ?
C4 C5 C6 111.0(4) . . ?
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 109.4(5) . . ?
C1 C6 H6A 109.8 . . ?
C5 C6 H6A 109.8 . . ?
C1 C6 H6B 109.8 . . ?
C5 C6 H6B 109.8 . . ?
H6A C6 H6B 108.2 . . ?
C12 C7 C8 110.8(4) . . ?
C12 C7 P1 116.0(3) . . ?
C8 C7 P1 113.2(3) . . ?
C12 C7 H7 105.3 . . ?
C8 C7 H7 105.3 . . ?
P1 C7 H7 105.3 . . ?
C9 C8 C7 110.1(4) . . ?
C9 C8 H8A 109.6 . . ?
C7 C8 H8A 109.6 . . ?
C9 C8 H8B 109.6 . . ?
C7 C8 H8B 109.6 . . ?
H8A C8 H8B 108.2 . . ?
C8 C9 C10 111.4(4) . . ?
C8 C9 H9A 109.3 . . ?
C10 C9 H9A 109.3 . . ?
C8 C9 H9B 109.3 . . ?
C10 C9 H9B 109.3 . . ?
H9A C9 H9B 108.0 . . ?
C11 C10 C9 111.2(4) . . ?
C11 C10 H10A 109.4 . . ?
C9 C10 H10A 109.4 . . ?
C11 C10 H10B 109.4 . . ?
C9 C10 H10B 109.4 . . ?
H10A C10 H10B 108.0 . . ?
C10 C11 C12 112.0(5) . . ?
C10 C11 H11A 109.2 . . ?
C12 C11 H11A 109.2 . . ?
C10 C11 H11B 109.2 . . ?
C12 C11 H11B 109.2 . . ?
H11A C11 H11B 107.9 . . ?
C7 C12 C11 109.8(4) . . ?
C7 C12 H12A 109.7 . . ?
C11 C12 H12A 109.7 . . ?
C7 C12 H12B 109.7 . . ?
C11 C12 H12B 109.7 . . ?
H12A C12 H12B 108.2 . . ?
C14 C13 P2 139.8(4) . . ?
C14 C13 Rh1 123.3(3) . . ?
P2 C13 Rh1 96.9(2) . . ?
C13 C14 O1 116.8(4) . . ?
C13 C14 C15 132.0(4) . . ?
O1 C14 C15 111.2(4) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C21 C16 C17 118.7(5) . . ?
C21 C16 P2 121.5(5) . . ?
C17 C16 P2 119.8(4) . . ?
C18 C17 C16 120.6(6) . . ?
C18 C17 H17 119.7 . . ?
C16 C17 H17 119.7 . . ?
C19 C18 C17 120.4(7) . . ?
C19 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C18 C19 C20 120.4(6) . . ?
C18 C19 H19 119.8 . . ?
C20 C19 H19 119.8 . . ?
C19 C20 C21 120.6(6) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C16 C21 C20 119.2(6) . . ?
C16 C21 H21 120.4 . . ?
C20 C21 H21 120.4 . . ?
C27 C22 C23 119.7(5) . . ?
C27 C22 P2 121.5(4) . . ?
C23 C22 P2 118.5(5) . . ?
C24 C23 C22 120.9(7) . . ?
C24 C23 H23 119.6 . . ?
C22 C23 H23 119.6 . . ?
C23 C24 C25 119.1(6) . . ?
C23 C24 H24 120.5 . . ?
C25 C24 H24 120.5 . . ?
C24 C25 C26 121.5(6) . . ?
C24 C25 H25 119.2 . . ?
C26 C25 H25 119.2 . . ?
C25 C26 C27 119.4(7) . . ?
C25 C26 H26 120.3 . . ?
C27 C26 H26 120.3 . . ?
C22 C27 C26 119.4(6) . . ?
C22 C27 H27 120.3 . . ?
C26 C27 H27 120.3 . . ?
C36 C35 C40 119.1(6) . . ?
C36 C35 P3 121.7(5) . . ?
C40 C35 P3 119.1(5) . . ?
C37 C36 C35 120.8(7) . . ?
C37 C36 H36 119.6 . . ?
C35 C36 H36 119.6 . . ?
C36 C37 C38 119.6(8) . . ?
C36 C37 H37 120.2 . . ?
C38 C37 H37 120.2 . . ?
C39 C38 C37 120.8(7) . . ?
C39 C38 H38 119.6 . . ?
C37 C38 H38 119.6 . . ?
C38 C39 C40 119.1(8) . . ?
C38 C39 H39 120.4 . . ?
C40 C39 H39 120.4 . . ?
C35 C40 C39 120.4(7) . . ?
C35 C40 H40 119.8 . . ?
C39 C40 H40 119.8 . . ?
C46 C41 C42 118.6(5) . . ?
C46 C41 P3 118.0(4) . . ?
C42 C41 P3 123.3(4) . . ?
C41 C42 C43 120.7(6) . . ?
C41 C42 H42 119.7 . . ?
C43 C42 H42 119.7 . . ?
C44 C43 C42 120.1(6) . . ?
C44 C43 H43 120.0 . . ?
C42 C43 H43 120.0 . . ?
C45 C44 C43 119.6(6) . . ?
C45 C44 H44 120.2 . . ?
C43 C44 H44 120.2 . . ?
C44 C45 C46 120.4(7) . . ?
C44 C45 H45 119.8 . . ?
C46 C45 H45 119.8 . . ?
C41 C46 C45 120.6(6) . . ?
C41 C46 H46 119.7 . . ?
C45 C46 H46 119.7 . . ?
C48 C47 C52 117.1(4) . . ?
C48 C47 Rh1 124.3(3) . . ?
C52 C47 Rh1 118.5(3) . . ?
C47 C48 C49 123.6(4) . . ?
C47 C48 H48 118.2 . . ?
C49 C48 H48 118.2 . . ?
C50 C49 C48 117.5(4) . . ?
C50 C49 C53 122.1(4) . . ?
C48 C49 C53 120.4(4) . . ?
C49 C50 C51 120.5(4) . . ?
C49 C50 H50 119.7 . . ?
C51 C50 H50 119.7 . . ?
C52 C51 C50 120.8(4) . . ?
C52 C51 H51 119.6 . . ?
C50 C51 H51 119.6 . . ?
C51 C52 N1 120.5(4) . . ?
C51 C52 C47 120.5(4) . . ?
N1 C52 C47 118.9(4) . . ?
C49 C53 H53A 109.5 . . ?
C49 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C49 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 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
I1 Rh1 2.8245(4) . ?
Rh1 C47 2.045(4) . ?
Rh1 C13 2.049(5) . ?
Rh1 N2 2.177(9) . ?
Rh1 P1 2.2407(12) . ?
Rh1 P3 2.3303(13) . ?
Rh1 N2' 2.34(4) . ?
Rh1 P2 2.8528(12) . ?
P1 O1 1.670(3) . ?
P1 C1 1.833(5) . ?
P1 C7 1.836(4) . ?
P2 N2 1.599(5) . ?
P2 N2' 1.600(10) . ?
P2 C13 1.753(5) . ?
P2 C22 1.799(5) . ?
P2 C16 1.823(5) . ?
N2 C28 1.395(9) . ?
C28 C33 1.390(10) . ?
C28 C29 1.409(12) . ?
C29 C30 1.434(11) . ?
C29 H29 0.9500 . ?
C30 C31 1.372(15) . ?
C30 H30 0.9500 . ?
C31 C32 1.380(17) . ?
C31 C34 1.558(15) . ?
C32 C33 1.386(13) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
N2' C28' 1.394(11) . ?
C28' C33' 1.402(13) . ?
C28' C29' 1.416(15) . ?
C29' C30' 1.433(14) . ?
C29' H29' 0.9500 . ?
C30' C31' 1.373(17) . ?
C30' H30' 0.9500 . ?
C31' C32' 1.38(2) . ?
C31' C34' 1.560(17) . ?
C32' C33' 1.391(15) . ?
C32' H32' 0.9500 . ?
C33' H33' 0.9500 . ?
C34' H34D 0.9800 . ?
C34' H34E 0.9800 . ?
C34' H34F 0.9800 . ?
P3 N1 1.672(4) . ?
P3 C35 1.829(6) . ?
P3 C41 1.837(5) . ?
O1 C14 1.403(5) . ?
N1 C52 1.412(6) . ?
N1 H1 0.875(10) . ?
C1 C6 1.515(7) . ?
C1 C2 1.521(6) . ?
C1 H1A 1.0000 . ?
C2 C3 1.528(7) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.502(8) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.520(7) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.528(7) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C12 1.526(7) . ?
C7 C8 1.534(6) . ?
C7 H7 1.0000 . ?
C8 C9 1.519(7) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.521(8) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.521(8) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.533(7) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.305(7) . ?
C14 C15 1.489(7) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C21 1.376(8) . ?
C16 C17 1.388(9) . ?
C17 C18 1.386(8) . ?
C17 H17 0.9500 . ?
C18 C19 1.349(9) . ?
C18 H18 0.9500 . ?
C19 C20 1.349(9) . ?
C19 H19 0.9500 . ?
C20 C21 1.417(8) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 C27 1.379(8) . ?
C22 C23 1.417(8) . ?
C23 C24 1.356(8) . ?
C23 H23 0.9500 . ?
C24 C25 1.381(10) . ?
C24 H24 0.9500 . ?
C25 C26 1.390(10) . ?
C25 H25 0.9500 . ?
C26 C27 1.396(8) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C35 C36 1.381(9) . ?
C35 C40 1.389(9) . ?
C36 C37 1.374(10) . ?
C36 H36 0.9500 . ?
C37 C38 1.383(12) . ?
C37 H37 0.9500 . ?
C38 C39 1.374(12) . ?
C38 H38 0.9500 . ?
C39 C40 1.395(10) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
C41 C46 1.381(8) . ?
C41 C42 1.381(7) . ?
C42 C43 1.399(7) . ?
C42 H42 0.9500 . ?
C43 C44 1.374(10) . ?
C43 H43 0.9500 . ?
C44 C45 1.371(10) . ?
C44 H44 0.9500 . ?
C45 C46 1.394(8) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C47 C48 1.385(6) . ?
C47 C52 1.413(6) . ?
C48 C49 1.400(6) . ?
C48 H48 0.9500 . ?
C49 C50 1.389(6) . ?
C49 C53 1.507(6) . ?
C50 C51 1.393(7) . ?
C50 H50 0.9500 . ?
C51 C52 1.377(6) . ?
C51 H51 0.9500 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C13 P2 N2 C28 -179.8(10) . . . . ?
C22 P2 N2 C28 -57.0(12) . . . . ?
C16 P2 N2 C28 63.0(11) . . . . ?
Rh1 P2 N2 C28 -179(100) . . . . ?
C13 P2 N2 Rh1 -0.4(5) . . . . ?
C22 P2 N2 Rh1 122.4(4) . . . . ?
C16 P2 N2 Rh1 -117.6(4) . . . . ?
P2 N2 C28 C33 -117.8(13) . . . . ?
Rh1 N2 C28 C33 62.9(15) . . . . ?
P2 N2 C28 C29 64.0(15) . . . . ?
Rh1 N2 C28 C29 -115.2(13) . . . . ?
C33 C28 C29 C30 -5.9(16) . . . . ?
N2 C28 C29 C30 172.3(9) . . . . ?
C28 C29 C30 C31 -2.4(16) . . . . ?
C29 C30 C31 C32 9.2(17) . . . . ?
C29 C30 C31 C34 -169.4(10) . . . . ?
C30 C31 C32 C33 -7.7(17) . . . . ?
C34 C31 C32 C33 170.9(10) . . . . ?
C31 C32 C33 C28 -0.7(16) . . . . ?
N2 C28 C33 C32 -170.8(9) . . . . ?
C29 C28 C33 C32 7.5(16) . . . . ?
C13 P2 N2' C28' -165(5) . . . . ?
C22 P2 N2' C28' -40(5) . . . . ?
C16 P2 N2' C28' 75(5) . . . . ?
Rh1 P2 N2' C28' -165(6) . . . . ?
C13 P2 N2' Rh1 0.4(18) . . . . ?
C22 P2 N2' Rh1 125.0(9) . . . . ?
C16 P2 N2' Rh1 -119.4(13) . . . . ?
P2 N2' C28' C33' -137(6) . . . . ?
Rh1 N2' C28' C33' 62(5) . . . . ?
P2 N2' C28' C29' 66(7) . . . . ?
Rh1 N2' C28' C29' -94(5) . . . . ?
N2' C28' C29' C30' 174(4) . . . . ?
C33' C28' C29' C30' 17(6) . . . . ?
C28' C29' C30' C31' -16(7) . . . . ?
C29' C30' C31' C32' 11(7) . . . . ?
C29' C30' C31' C34' -169(4) . . . . ?
C30' C31' C32' C33' -9(7) . . . . ?
C34' C31' C32' C33' 171(4) . . . . ?
C31' C32' C33' C28' 11(7) . . . . ?
N2' C28' C33' C32' -172(4) . . . . ?
C29' C28' C33' C32' -15(7) . . . . ?
C1 P1 O1 C14 123.2(3) . . . . ?
C7 P1 O1 C14 -124.7(3) . . . . ?
Rh1 P1 O1 C14 -1.2(3) . . . . ?
C35 P3 N1 C52 -118.4(4) . . . . ?
C41 P3 N1 C52 138.0(4) . . . . ?
Rh1 P3 N1 C52 7.6(4) . . . . ?
O1 P1 C1 C6 21.5(4) . . . . ?
C7 P1 C1 C6 -82.6(4) . . . . ?
Rh1 P1 C1 C6 134.1(3) . . . . ?
O1 P1 C1 C2 153.8(4) . . . . ?
C7 P1 C1 C2 49.8(5) . . . . ?
Rh1 P1 C1 C2 -93.5(4) . . . . ?
C6 C1 C2 C3 -57.5(6) . . . . ?
P1 C1 C2 C3 167.9(4) . . . . ?
C1 C2 C3 C4 54.0(6) . . . . ?
C2 C3 C4 C5 -53.1(7) . . . . ?
C3 C4 C5 C6 54.6(7) . . . . ?
C2 C1 C6 C5 59.2(5) . . . . ?
P1 C1 C6 C5 -166.7(3) . . . . ?
C4 C5 C6 C1 -57.0(6) . . . . ?
O1 P1 C7 C12 -51.3(4) . . . . ?
C1 P1 C7 C12 53.1(4) . . . . ?
Rh1 P1 C7 C12 -163.3(3) . . . . ?
O1 P1 C7 C8 179.0(3) . . . . ?
C1 P1 C7 C8 -76.5(4) . . . . ?
Rh1 P1 C7 C8 67.0(3) . . . . ?
C12 C7 C8 C9 58.5(5) . . . . ?
P1 C7 C8 C9 -169.2(3) . . . . ?
C7 C8 C9 C10 -56.9(6) . . . . ?
C8 C9 C10 C11 55.0(6) . . . . ?
C9 C10 C11 C12 -54.5(6) . . . . ?
C8 C7 C12 C11 -57.5(5) . . . . ?
P1 C7 C12 C11 171.7(3) . . . . ?
C10 C11 C12 C7 55.7(6) . . . . ?
N2 P2 C13 C14 -180(100) . . . . ?
N2' P2 C13 C14 180(100) . . . . ?
C22 P2 C13 C14 58.3(6) . . . . ?
C16 P2 C13 C14 -59.6(6) . . . . ?
Rh1 P2 C13 C14 -180(100) . . . . ?
N2 P2 C13 Rh1 0.4(5) . . . . ?
N2' P2 C13 Rh1 0(2) . . . . ?
C22 P2 C13 Rh1 -121.8(2) . . . . ?
C16 P2 C13 Rh1 120.4(2) . . . . ?
P2 C13 C14 O1 173.7(4) . . . . ?
Rh1 C13 C14 O1 -6.3(6) . . . . ?
P2 C13 C14 C15 -8.5(9) . . . . ?
Rh1 C13 C14 C15 171.5(4) . . . . ?
P1 O1 C14 C13 4.6(5) . . . . ?
P1 O1 C14 C15 -173.7(3) . . . . ?
N2 P2 C16 C21 -26.5(6) . . . . ?
N2' P2 C16 C21 -20.5(14) . . . . ?
C13 P2 C16 C21 -133.5(4) . . . . ?
C22 P2 C16 C21 100.5(5) . . . . ?
Rh1 P2 C16 C21 -83.3(5) . . . . ?
N2 P2 C16 C17 152.7(5) . . . . ?
N2' P2 C16 C17 158.6(14) . . . . ?
C13 P2 C16 C17 45.7(5) . . . . ?
C22 P2 C16 C17 -80.3(5) . . . . ?
Rh1 P2 C16 C17 95.8(5) . . . . ?
C21 C16 C17 C18 -0.3(9) . . . . ?
P2 C16 C17 C18 -179.5(5) . . . . ?
C16 C17 C18 C19 -1.2(11) . . . . ?
C17 C18 C19 C20 0.9(10) . . . . ?
C18 C19 C20 C21 0.7(10) . . . . ?
C17 C16 C21 C20 1.9(8) . . . . ?
P2 C16 C21 C20 -179.0(4) . . . . ?
C19 C20 C21 C16 -2.1(9) . . . . ?
N2 P2 C22 C27 -93.6(7) . . . . ?
N2' P2 C22 C27 -98(2) . . . . ?
C13 P2 C22 C27 16.7(6) . . . . ?
C16 P2 C22 C27 139.6(5) . . . . ?
Rh1 P2 C22 C27 -36.3(6) . . . . ?
N2 P2 C22 C23 80.1(7) . . . . ?
N2' P2 C22 C23 75(2) . . . . ?
C13 P2 C22 C23 -169.6(4) . . . . ?
C16 P2 C22 C23 -46.7(5) . . . . ?
Rh1 P2 C22 C23 137.4(4) . . . . ?
C27 C22 C23 C24 -1.0(10) . . . . ?
P2 C22 C23 C24 -174.8(5) . . . . ?
C22 C23 C24 C25 -1.1(11) . . . . ?
C23 C24 C25 C26 2.4(11) . . . . ?
C24 C25 C26 C27 -1.5(11) . . . . ?
C23 C22 C27 C26 1.9(9) . . . . ?
P2 C22 C27 C26 175.5(5) . . . . ?
C25 C26 C27 C22 -0.7(10) . . . . ?
N1 P3 C35 C36 148.0(5) . . . . ?
C41 P3 C35 C36 -103.6(6) . . . . ?
Rh1 P3 C35 C36 34.2(6) . . . . ?
N1 P3 C35 C40 -34.2(6) . . . . ?
C41 P3 C35 C40 74.2(6) . . . . ?
Rh1 P3 C35 C40 -147.9(5) . . . . ?
C40 C35 C36 C37 0.5(11) . . . . ?
P3 C35 C36 C37 178.3(6) . . . . ?
C35 C36 C37 C38 -0.8(13) . . . . ?
C36 C37 C38 C39 1.5(15) . . . . ?
C37 C38 C39 C40 -1.8(15) . . . . ?
C36 C35 C40 C39 -0.8(11) . . . . ?
P3 C35 C40 C39 -178.7(6) . . . . ?
C38 C39 C40 C35 1.5(13) . . . . ?
N1 P3 C41 C46 175.6(5) . . . . ?
C35 P3 C41 C46 66.4(5) . . . . ?
Rh1 P3 C41 C46 -69.0(5) . . . . ?
N1 P3 C41 C42 -3.3(5) . . . . ?
C35 P3 C41 C42 -112.5(5) . . . . ?
Rh1 P3 C41 C42 112.2(5) . . . . ?
C46 C41 C42 C43 -2.8(9) . . . . ?
P3 C41 C42 C43 176.0(4) . . . . ?
C41 C42 C43 C44 2.2(9) . . . . ?
C42 C43 C44 C45 -1.0(11) . . . . ?
C43 C44 C45 C46 0.4(12) . . . . ?
C42 C41 C46 C45 2.2(10) . . . . ?
P3 C41 C46 C45 -176.7(6) . . . . ?
C44 C45 C46 C41 -1.0(12) . . . . ?
C52 C47 C48 C49 -0.5(6) . . . . ?
Rh1 C47 C48 C49 174.9(3) . . . . ?
C47 C48 C49 C50 0.7(6) . . . . ?
C47 C48 C49 C53 -178.1(4) . . . . ?
C48 C49 C50 C51 -0.3(6) . . . . ?
C53 C49 C50 C51 178.5(4) . . . . ?
C49 C50 C51 C52 -0.2(7) . . . . ?
C50 C51 C52 N1 -179.9(4) . . . . ?
C50 C51 C52 C47 0.4(7) . . . . ?
P3 N1 C52 C51 171.6(4) . . . . ?
P3 N1 C52 C47 -8.7(6) . . . . ?
C48 C47 C52 C51 0.0(6) . . . . ?
Rh1 C47 C52 C51 -175.7(3) . . . . ?
C48 C47 C52 N1 -179.8(4) . . . . ?
Rh1 C47 C52 N1 4.6(6) . . . . ?
