#------------------------------------------------------------------------------
#$Date: 2023-05-05 03:47:17 +0300 (Fri, 05 May 2023) $
#$Revision: 283145 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/88/1568807.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_1568807
loop_
_publ_author_name
'Yang, Eric S.'
'Combey, Emma'
'Goicoechea, Jose M.'
_publ_section_title
;
 Putting cyaphide in its place: determining the donor/acceptor properties
 of the \kC-cyaphido ligand
;
_journal_issue                   17
_journal_name_full               'Chemical Science'
_journal_page_first              4627
_journal_page_last               4632
_journal_paper_doi               10.1039/D3SC01126G
_journal_volume                  14
_journal_year                    2023
_chemical_formula_moiety         'C34 H43 N3 P Rh'
_chemical_formula_sum            'C34 H43 N3 P Rh'
_chemical_formula_weight         627.59
_chemical_name_systematic
;
 [(NDipp)2(CMe)2(C5H3N)]Rh(CP)
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2023-02-17 deposited with the CCDC.	2023-04-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.49660(10)
_cell_length_b                   17.9973(2)
_cell_length_c                   20.3635(2)
_cell_measurement_reflns_used    40301
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      76.2750
_cell_measurement_theta_min      4.2450
_cell_volume                     3113.90(6)
_computing_cell_refinement       'CrysAlisPro 1.171.41.107a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.107a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.107a (Rigaku OD, 2021)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.5035
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0453
_diffrn_reflns_av_unetI/netI     0.0197
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            64682
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.183
_diffrn_reflns_theta_min         4.342
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    5.110
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.60846
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.107a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.339
_exptl_crystal_description       needle
_exptl_crystal_F_000             1312
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.425
_refine_diff_density_min         -0.653
_refine_diff_density_rms         0.057
_refine_ls_abs_structure_details
;
 Flack x determined using 2689 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.019(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     362
_refine_ls_number_reflns         6499
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0225
_refine_ls_R_factor_gt           0.0214
_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)+(0.0360P)²+0.7976P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0562
_refine_ls_wR_factor_ref         0.0569
_reflns_Friedel_coverage         0.770
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.993
_reflns_number_gt                6310
_reflns_number_total             6499
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3sc01126g3.cif
_cod_data_source_block           ESY175
_cod_depositor_comments
'Adding full bibliography for 1568803--1568814.cif.'
_cod_database_code               1568807
_shelx_shelxl_version_number     2018/1
_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   0.495
_shelx_estimated_absorpt_t_max   0.905
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -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 0.62438(2) 0.09669(2) 0.86991(2) 0.01705(6) Uani 1 1 d . . . . .
N1 N 0.6601(3) 0.03813(13) 0.95317(11) 0.0178(5) Uani 1 1 d . . . . .
N2 N 0.5446(3) 0.18037(14) 0.81253(12) 0.0191(5) Uani 1 1 d . . . . .
N3 N 0.5066(3) 0.15564(13) 0.93292(11) 0.0179(4) Uani 1 1 d . . . . .
C1 C 0.7463(4) 0.03768(19) 0.80630(16) 0.0283(7) Uani 1 1 d . . . . .
P1 P 0.83802(18) -0.00893(8) 0.75560(6) 0.0606(4) Uani 1 1 d . . . . .
C2 C 0.5918(3) 0.06365(16) 1.00622(13) 0.0196(6) Uani 1 1 d . . . . .
C3 C 0.5028(4) 0.13282(17) 0.99655(14) 0.0201(5) Uani 1 1 d . . . . .
C4 C 0.4235(4) 0.17540(18) 1.04275(14) 0.0245(6) Uani 1 1 d . . . . .
H4 H 0.419437 0.160101 1.087373 0.029 Uiso 1 1 calc R U . . .
C5 C 0.3498(4) 0.24096(18) 1.02287(15) 0.0289(7) Uani 1 1 d . . . . .
H5 H 0.295834 0.270674 1.054166 0.035 Uiso 1 1 calc R U . . .
C6 C 0.3551(4) 0.26299(17) 0.95743(15) 0.0250(6) Uani 1 1 d . . . . .
H6 H 0.304474 0.307415 0.943714 0.030 Uiso 1 1 calc R U . . .
C7 C 0.4356(3) 0.21906(16) 0.91237(14) 0.0192(5) Uani 1 1 d . . . . .
C8 C 0.4610(3) 0.23201(16) 0.84199(14) 0.0199(5) Uani 1 1 d . . . . .
C9 C 0.5996(4) 0.02780(18) 1.07254(14) 0.0289(7) Uani 1 1 d . . . . .
H9A H 0.667439 -0.016173 1.070390 0.043 Uiso 1 1 calc R U . . .
H9B H 0.493606 0.012982 1.086246 0.043 Uiso 1 1 calc R U . . .
H9C H 0.642904 0.063161 1.104379 0.043 Uiso 1 1 calc R U . . .
C10 C 0.3998(4) 0.30032(17) 0.80864(15) 0.0292(7) Uani 1 1 d . . . . .
H10A H 0.459347 0.343730 0.823691 0.044 Uiso 1 1 calc R U . . .
H10B H 0.288236 0.306883 0.819413 0.044 Uiso 1 1 calc R U . . .
H10C H 0.411728 0.295041 0.761005 0.044 Uiso 1 1 calc R U . . .
C11 C 0.7539(4) -0.02872(17) 0.95387(14) 0.0209(6) Uani 1 1 d . . . . .
C12 C 0.6806(4) -0.09714(19) 0.94350(13) 0.0251(6) Uani 1 1 d . . . . .
C13 C 0.7760(5) -0.1595(2) 0.93669(17) 0.0339(8) Uani 1 1 d . . . . .
H13 H 0.728995 -0.206756 0.929627 0.041 Uiso 1 1 calc R U . . .
C14 C 0.9383(5) -0.1540(2) 0.94002(18) 0.0387(9) Uani 1 1 d . . . . .
H14 H 1.001738 -0.197018 0.934835 0.046 Uiso 1 1 calc R U . . .
C15 C 1.0078(4) -0.0858(2) 0.95089(19) 0.0390(9) Uani 1 1 d . . . . .
H15 H 1.119141 -0.082670 0.953990 0.047 Uiso 1 1 calc R U . . .
C16 C 0.9181(4) -0.02146(19) 0.95741(16) 0.0277(7) Uani 1 1 d . . . . .
C17 C 0.5025(4) -0.10439(19) 0.93772(16) 0.0312(7) Uani 1 1 d . . . . .
H17 H 0.454982 -0.055390 0.949660 0.037 Uiso 1 1 calc R U . . .
C18 C 0.4377(5) -0.1626(2) 0.98484(18) 0.0363(8) Uani 1 1 d . . . . .
H18A H 0.483102 -0.211238 0.974296 0.054 Uiso 1 1 calc R U . . .
H18B H 0.322891 -0.165015 0.980515 0.054 Uiso 1 1 calc R U . . .
H18C H 0.465248 -0.149098 1.030013 0.054 Uiso 1 1 calc R U . . .
C19 C 0.4554(6) -0.1221(2) 0.8669(2) 0.0504(11) Uani 1 1 d . . . . .
H19A H 0.494218 -0.082915 0.837689 0.076 Uiso 1 1 calc R U . . .
H19B H 0.340434 -0.124950 0.863742 0.076 Uiso 1 1 calc R U . . .
H19C H 0.501262 -0.169865 0.853880 0.076 Uiso 1 1 calc R U . . .
C20 C 0.9975(4) 0.0533(2) 0.9678(2) 0.0401(9) Uani 1 1 d . . . . .
H20 H 0.916066 0.092778 0.961671 0.048 Uiso 1 1 calc R U . . .
C21 C 1.0592(6) 0.0592(3) 1.0385(3) 0.0533(11) Uani 1 1 d . . . . .
H21A H 1.141250 0.021780 1.045603 0.080 Uiso 1 1 calc R U . . .
H21B H 0.972482 0.050711 1.069344 0.080 Uiso 1 1 calc R U . . .
H21C H 1.103203 0.108867 1.045693 0.080 Uiso 1 1 calc R U . . .
C22 C 1.1285(6) 0.0676(3) 0.9189(2) 0.0552(11) Uani 1 1 d . . . . .
H22A H 1.213895 0.031994 0.926073 0.083 Uiso 1 1 calc R U . . .
H22B H 1.168508 0.118281 0.924719 0.083 Uiso 1 1 calc R U . . .
H22C H 1.087584 0.061960 0.874139 0.083 Uiso 1 1 calc R U . . .
C23 C 0.5897(3) 0.18611(16) 0.74452(13) 0.0198(5) Uani 1 1 d . . . . .
C24 C 0.4969(4) 0.15120(17) 0.69666(15) 0.0240(6) Uani 1 1 d . . . . .
C25 C 0.5570(4) 0.14769(18) 0.63321(17) 0.0294(6) Uani 1 1 d . . . . .
H25 H 0.496925 0.124239 0.599785 0.035 Uiso 1 1 calc R U . . .
C26 C 0.7019(4) 0.1775(2) 0.61771(14) 0.0310(7) Uani 1 1 d . . . . .
H26 H 0.741960 0.173114 0.574327 0.037 Uiso 1 1 calc R U . . .
C27 C 0.7889(4) 0.2137(2) 0.66560(15) 0.0285(6) Uani 1 1 d . . . . .
H27 H 0.887447 0.235131 0.654330 0.034 Uiso 1 1 calc R U . . .
C28 C 0.7345(4) 0.21939(17) 0.72975(14) 0.0221(6) Uani 1 1 d . . . . .
C29 C 0.3382(4) 0.11583(18) 0.71357(16) 0.0285(7) Uani 1 1 d . . . . .
H29 H 0.299566 0.139652 0.754896 0.034 Uiso 1 1 calc R U . . .
C30 C 0.3543(6) 0.0330(2) 0.7268(3) 0.0525(11) Uani 1 1 d . . . . .
H30A H 0.396502 0.008262 0.687712 0.079 Uiso 1 1 calc R U . . .
H30B H 0.250728 0.012134 0.737360 0.079 Uiso 1 1 calc R U . . .
H30C H 0.425869 0.025119 0.763896 0.079 Uiso 1 1 calc R U . . .
C31 C 0.2146(5) 0.1292(2) 0.6607(2) 0.0408(9) Uani 1 1 d . . . . .
H31A H 0.244789 0.102884 0.620515 0.061 Uiso 1 1 calc R U . . .
H31B H 0.206936 0.182543 0.651662 0.061 Uiso 1 1 calc R U . . .
H31C H 0.112414 0.110724 0.675990 0.061 Uiso 1 1 calc R U . . .
C32 C 0.8327(4) 0.25909(19) 0.78175(15) 0.0267(7) Uani 1 1 d . . . . .
H32 H 0.768274 0.261037 0.822805 0.032 Uiso 1 1 calc R U . . .
C33 C 0.9808(5) 0.2164(3) 0.7975(3) 0.0560(12) Uani 1 1 d . . . . .
H33A H 1.043728 0.210554 0.757465 0.084 Uiso 1 1 calc R U . . .
H33B H 0.952768 0.167241 0.814652 0.084 Uiso 1 1 calc R U . . .
H33C H 1.041918 0.243502 0.830456 0.084 Uiso 1 1 calc R U . . .
C34 C 0.8688(8) 0.3383(2) 0.7623(2) 0.0620(14) Uani 1 1 d . . . . .
H34A H 0.924598 0.338690 0.720176 0.093 Uiso 1 1 calc R U . . .
H34B H 0.934953 0.361467 0.796020 0.093 Uiso 1 1 calc R U . . .
H34C H 0.770305 0.366267 0.758091 0.093 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 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'
N N 0.0311 0.0180 '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
N3 Rh1 C1 179.24(14) . . ?
N3 Rh1 N1 78.92(10) . . ?
C1 Rh1 N1 101.06(11) . . ?
N3 Rh1 N2 78.59(10) . . ?
C1 Rh1 N2 101.41(11) . . ?
N1 Rh1 N2 157.48(10) . . ?
C2 N1 C11 121.9(2) . . ?
C2 N1 Rh1 116.32(19) . . ?
C11 N1 Rh1 121.75(18) . . ?
C8 N2 C23 122.1(2) . . ?
C8 N2 Rh1 116.35(19) . . ?
C23 N2 Rh1 121.28(19) . . ?
C7 N3 C3 122.5(2) . . ?
C7 N3 Rh1 119.00(19) . . ?
C3 N3 Rh1 118.5(2) . . ?
P1 C1 Rh1 178.6(3) . . ?
N1 C2 C3 114.5(2) . . ?
N1 C2 C9 125.0(3) . . ?
C3 C2 C9 120.5(3) . . ?
N3 C3 C4 119.4(3) . . ?
N3 C3 C2 111.8(2) . . ?
C4 C3 C2 128.8(3) . . ?
C3 C4 C5 119.2(3) . . ?
C3 C4 H4 120.4 . . ?
C5 C4 H4 120.4 . . ?
C6 C5 C4 120.3(3) . . ?
C6 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
C7 C6 C5 119.1(3) . . ?
C7 C6 H6 120.5 . . ?
C5 C6 H6 120.5 . . ?
N3 C7 C6 119.5(3) . . ?
N3 C7 C8 111.7(3) . . ?
C6 C7 C8 128.8(3) . . ?
N2 C8 C7 114.4(3) . . ?
N2 C8 C10 124.1(3) . . ?
C7 C8 C10 121.5(3) . . ?
C2 C9 H9A 109.5 . . ?
C2 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C2 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C16 122.2(3) . . ?
C12 C11 N1 119.2(3) . . ?
C16 C11 N1 118.2(3) . . ?
C13 C12 C11 117.8(3) . . ?
C13 C12 C17 120.1(3) . . ?
C11 C12 C17 122.0(3) . . ?
C14 C13 C12 121.1(4) . . ?
C14 C13 H13 119.4 . . ?
C12 C13 H13 119.4 . . ?
C15 C14 C13 119.9(3) . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C14 C15 C16 121.4(4) . . ?
C14 C15 H15 119.3 . . ?
C16 C15 H15 119.3 . . ?
C15 C16 C11 117.5(3) . . ?
C15 C16 C20 120.4(3) . . ?
C11 C16 C20 122.1(3) . . ?
C12 C17 C18 111.7(3) . . ?
C12 C17 C19 110.5(3) . . ?
C18 C17 C19 110.8(3) . . ?
C12 C17 H17 107.9 . . ?
C18 C17 H17 107.9 . . ?
C19 C17 H17 107.9 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C22 C20 C16 112.6(4) . . ?
C22 C20 C21 110.8(4) . . ?
C16 C20 C21 110.1(3) . . ?
C22 C20 H20 107.7 . . ?
C16 C20 H20 107.7 . . ?
C21 C20 H20 107.7 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C28 C23 C24 122.4(3) . . ?
C28 C23 N2 118.1(2) . . ?
C24 C23 N2 119.1(3) . . ?
C25 C24 C23 117.4(3) . . ?
C25 C24 C29 120.9(3) . . ?
C23 C24 C29 121.7(3) . . ?
C26 C25 C24 121.5(3) . . ?
C26 C25 H25 119.2 . . ?
C24 C25 H25 119.2 . . ?
C25 C26 C27 119.8(3) . . ?
C25 C26 H26 120.1 . . ?
C27 C26 H26 120.1 . . ?
C26 C27 C28 121.2(3) . . ?
C26 C27 H27 119.4 . . ?
C28 C27 H27 119.4 . . ?
C27 C28 C23 117.6(3) . . ?
C27 C28 C32 120.3(3) . . ?
C23 C28 C32 122.1(3) . . ?
C30 C29 C31 110.0(3) . . ?
C30 C29 C24 111.6(3) . . ?
C31 C29 C24 112.5(3) . . ?
C30 C29 H29 107.5 . . ?
C31 C29 H29 107.5 . . ?
C24 C29 H29 107.5 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 C34 111.6(4) . . ?
C33 C32 C28 111.4(3) . . ?
C34 C32 C28 111.8(3) . . ?
C33 C32 H32 107.3 . . ?
C34 C32 H32 107.3 . . ?
C28 C32 H32 107.3 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 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
Rh1 N3 1.942(2) . ?
Rh1 C1 1.969(3) . ?
Rh1 N1 2.019(2) . ?
Rh1 N2 2.023(2) . ?
N1 C2 1.309(4) . ?
N1 C11 1.443(4) . ?
N2 C8 1.315(4) . ?
N2 C23 1.441(3) . ?
N3 C7 1.357(4) . ?
N3 C3 1.360(4) . ?
C1 P1 1.542(4) . ?
C2 C3 1.470(4) . ?
C2 C9 1.498(4) . ?
C3 C4 1.388(4) . ?
C4 C5 1.396(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.391(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.391(4) . ?
C6 H6 0.9500 . ?
C7 C8 1.468(4) . ?
C8 C10 1.498(4) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.396(5) . ?
C11 C16 1.403(5) . ?
C12 C13 1.392(5) . ?
C12 C17 1.523(5) . ?
C13 C14 1.384(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.379(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.392(5) . ?
C15 H15 0.9500 . ?
C16 C20 1.520(5) . ?
C17 C18 1.524(5) . ?
C17 C19 1.531(5) . ?
C17 H17 1.0000 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C22 1.516(6) . ?
C20 C21 1.536(6) . ?
C20 H20 1.0000 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C28 1.401(4) . ?
C23 C24 1.402(4) . ?
C24 C25 1.391(5) . ?
C24 C29 1.530(5) . ?
C25 C26 1.379(5) . ?
C25 H25 0.9500 . ?
C26 C27 1.387(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.389(4) . ?
C27 H27 0.9500 . ?
C28 C32 1.526(4) . ?
C29 C30 1.522(5) . ?
C29 C31 1.523(5) . ?
C29 H29 1.0000 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C33 1.509(5) . ?
C32 C34 1.512(5) . ?
C32 H32 1.0000 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
