#------------------------------------------------------------------------------
#$Date: 2018-08-16 19:56:20 +0300 (Thu, 16 Aug 2018) $
#$Revision: 209818 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/07/48/4074826.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_4074826
loop_
_publ_author_name
'Landis, Clark R.'
'Nelson, Ryan C.'
'Jin, Wiechang'
'Bowman, Amanda C.'
_publ_section_title
;
 Synthesis, Characterization, and Transition-Metal Complexes of
 3,4-Diazaphospholanes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1377
_journal_page_last               1391
_journal_paper_doi               10.1021/om050922g
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C57 H50 Cl N4 O P2 Rh'
_chemical_formula_sum            'C57 H50 Cl N4 O P2 Rh'
_chemical_formula_weight         1007.31
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.0950(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.6469(13)
_cell_length_b                   14.1423(11)
_cell_length_c                   20.3512(15)
_cell_measurement_reflns_used    19742
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.42
_cell_measurement_theta_min      2.03
_cell_volume                     4731.0(6)
_computing_cell_refinement       'Bruker SAINT Ver. 6.22'
_computing_data_collection       'Bruker SMART Ver. 5.622'
_computing_data_reduction        'Bruker SAINT Ver. 6.22'
_computing_molecular_graphics    'Bruker SHELXTL Ver. 6.10'
_computing_publication_material  'Bruker SHELXTL Ver. 6.10'
_computing_structure_refinement  'Bruker SHELXTL Ver. 6.10'
_computing_structure_solution    'Bruker SHELXTL Ver. 6.10'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker CCD-1000 area detector'
_diffrn_measurement_method       '0.30 degree 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  0.0287
_diffrn_reflns_av_sigmaI/netI    0.0164
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            32358
_diffrn_reflns_theta_full        26.42
_diffrn_reflns_theta_max         26.42
_diffrn_reflns_theta_min         2.03
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count n/a
_diffrn_standards_interval_time  n/a
_diffrn_standards_number         n/a
_exptl_absorpt_coefficient_mu    0.531
_exptl_absorpt_correction_T_max  0.8655
_exptl_absorpt_correction_T_min  0.7883
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan with SADABS  (Bruker-AXS, 2003)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.414
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_description       block
_exptl_crystal_F_000             2080
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.829
_refine_diff_density_min         -0.196
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     300
_refine_ls_number_reflns         4858
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0282
_refine_ls_R_factor_gt           0.0254
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0406P)²+5.8709P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0675
_refine_ls_wR_factor_ref         0.0702
_reflns_number_gt                4485
_reflns_number_total             4858
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om050922gsi20051024_021932.cif
_cod_data_source_block           landis14
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4074826
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Rh Rh 0.0000 0.658509(11) 0.2500 0.01750(7) Uani 1 2 d S
P1 P 0.05262(2) 0.65382(3) 0.151381(19) 0.01676(9) Uani 1 1 d .
Cl Cl 0.0000 0.82567(4) 0.2500 0.03597(16) Uani 1 2 d S
O O 0.0000 0.44982(12) 0.2500 0.0346(4) Uani 1 2 d S
N1 N 0.06658(8) 0.75778(9) 0.04512(6) 0.0176(3) Uani 1 1 d .
N2 N -0.01847(8) 0.72338(9) 0.03453(6) 0.0190(3) Uani 1 1 d .
C1 C -0.02215(9) 0.63620(11) 0.07399(7) 0.0183(3) Uani 1 1 d .
H1 H -0.0040 0.5816 0.0487 0.022 Uiso 1 1 calc R
C2 C -0.10860(9) 0.61850(12) 0.08535(8) 0.0202(3) Uani 1 1 d .
C3 C -0.13733(10) 0.52690(12) 0.08804(8) 0.0233(3) Uani 1 1 d .
H3 H -0.1021 0.4752 0.0839 0.028 Uiso 1 1 calc R
C4 C -0.21731(10) 0.50996(13) 0.09681(9) 0.0279(4) Uani 1 1 d .
H4 H -0.2363 0.4468 0.0986 0.033 Uiso 1 1 calc R
C5 C -0.26904(10) 0.58412(14) 0.10285(9) 0.0317(4) Uani 1 1 d .
H5 H -0.3240 0.5726 0.1078 0.038 Uiso 1 1 calc R
C6 C -0.24033(12) 0.67553(15) 0.10158(13) 0.0447(5) Uani 1 1 d .
H6 H -0.2755 0.7270 0.1067 0.054 Uiso 1 1 calc R
C7 C -0.16050(11) 0.69317(14) 0.09295(11) 0.0373(5) Uani 1 1 d .
H7 H -0.1414 0.7564 0.0923 0.045 Uiso 1 1 calc R
C8 C -0.03863(10) 0.70002(12) -0.03634(8) 0.0228(3) Uani 1 1 d .
H8A H -0.0958 0.6782 -0.0461 0.027 Uiso 1 1 calc R
H8B H -0.0033 0.6477 -0.0470 0.027 Uiso 1 1 calc R
C9 C -0.02751(9) 0.78418(12) -0.07929(8) 0.0232(3) Uani 1 1 d .
C10 C -0.06383(10) 0.78648(14) -0.14573(9) 0.0284(4) Uani 1 1 d .
H10 H -0.0959 0.7346 -0.1642 0.034 Uiso 1 1 calc R
C11 C -0.05341(11) 0.86423(15) -0.18499(9) 0.0334(4) Uani 1 1 d .
H11 H -0.0786 0.8656 -0.2302 0.040 Uiso 1 1 calc R
C12 C -0.00647(12) 0.93978(14) -0.15852(9) 0.0327(4) Uani 1 1 d .
H12 H -0.0005 0.9937 -0.1852 0.039 Uiso 1 1 calc R
C13 C 0.03197(11) 0.93653(13) -0.09279(9) 0.0279(4) Uani 1 1 d .
H13 H 0.0655 0.9876 -0.0749 0.033 Uiso 1 1 calc R
C14 C 0.02158(10) 0.85862(12) -0.05285(8) 0.0228(3) Uani 1 1 d .
C15 C 0.06308(10) 0.85484(11) 0.01849(8) 0.0223(3) Uani 1 1 d .
H15A H 0.1191 0.8799 0.0214 0.027 Uiso 1 1 calc R
H15B H 0.0333 0.8957 0.0460 0.027 Uiso 1 1 calc R
C16 C 0.09149(9) 0.76392(11) 0.11765(7) 0.0178(3) Uani 1 1 d .
H16 H 0.0637 0.8194 0.1347 0.021 Uiso 1 1 calc R
C17 C 0.18224(9) 0.77600(11) 0.13649(8) 0.0204(3) Uani 1 1 d .
C18 C 0.23571(10) 0.74693(12) 0.09415(9) 0.0252(3) Uani 1 1 d .
H18 H 0.2150 0.7207 0.0519 0.030 Uiso 1 1 calc R
C19 C 0.31903(11) 0.75618(13) 0.11354(10) 0.0321(4) Uani 1 1 d .
H19 H 0.3551 0.7370 0.0843 0.038 Uiso 1 1 calc R
C20 C 0.34989(11) 0.79327(13) 0.17529(10) 0.0339(4) Uani 1 1 d .
H20 H 0.4070 0.7985 0.1888 0.041 Uiso 1 1 calc R
C21 C 0.29716(11) 0.82266(13) 0.21731(10) 0.0315(4) Uani 1 1 d .
H21 H 0.3182 0.8490 0.2594 0.038 Uiso 1 1 calc R
C22 C 0.21356(10) 0.81387(12) 0.19830(8) 0.0256(3) Uani 1 1 d .
H22 H 0.1777 0.8338 0.2276 0.031 Uiso 1 1 calc R
C23 C 0.13586(9) 0.57120(11) 0.14868(8) 0.0200(3) Uani 1 1 d .
C24 C 0.15370(10) 0.52655(12) 0.09158(8) 0.0239(3) Uani 1 1 d .
H24 H 0.1169 0.5319 0.0510 0.029 Uiso 1 1 calc R
C25 C 0.22482(10) 0.47427(12) 0.09345(9) 0.0278(4) Uani 1 1 d .
H25 H 0.2355 0.4422 0.0547 0.033 Uiso 1 1 calc R
C26 C 0.27986(10) 0.46903(13) 0.15178(10) 0.0301(4) Uani 1 1 d .
H26 H 0.3287 0.4339 0.1529 0.036 Uiso 1 1 calc R
C27 C 0.26401(11) 0.51490(13) 0.20873(9) 0.0292(4) Uani 1 1 d .
H27 H 0.3026 0.5125 0.2484 0.035 Uiso 1 1 calc R
C28 C 0.19158(10) 0.56434(12) 0.20765(8) 0.0250(3) Uani 1 1 d .
H28 H 0.1799 0.5936 0.2471 0.030 Uiso 1 1 calc R
C29 C 0.0000 0.52989(17) 0.2500 0.0226(5) Uani 1 2 d S
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'
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'
Cl Cl 0.1484 0.1585 '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
C29 Rh P1 88.356(10) . .
C29 Rh P1 88.358(10) . 2
P1 Rh P1 176.71(2) . 2
C29 Rh Cl 180.0 . .
P1 Rh Cl 91.644(10) . .
P1 Rh Cl 91.642(10) 2 .
C23 P1 C16 102.45(7) . .
C23 P1 C1 107.38(7) . .
C16 P1 C1 91.42(7) . .
C23 P1 Rh 116.04(5) . .
C16 P1 Rh 119.86(5) . .
C1 P1 Rh 116.30(5) . .
C16 N1 C15 107.61(12) . .
C16 N1 N2 106.07(11) . .
C15 N1 N2 105.74(12) . .
C8 N2 C1 108.90(12) . .
C8 N2 N1 106.39(11) . .
C1 N2 N1 108.41(11) . .
N2 C1 C2 110.05(12) . .
N2 C1 P1 105.56(10) . .
C2 C1 P1 114.65(10) . .
N2 C1 H1 108.8 . .
C2 C1 H1 108.8 . .
P1 C1 H1 108.8 . .
C3 C2 C7 118.83(15) . .
C3 C2 C1 120.21(14) . .
C7 C2 C1 120.97(15) . .
C2 C3 C4 120.63(16) . .
C2 C3 H3 119.7 . .
C4 C3 H3 119.7 . .
C5 C4 C3 120.36(16) . .
C5 C4 H4 119.8 . .
C3 C4 H4 119.8 . .
C4 C5 C6 119.30(16) . .
C4 C5 H5 120.4 . .
C6 C5 H5 120.4 . .
C5 C6 C7 120.75(19) . .
C5 C6 H6 119.6 . .
C7 C6 H6 119.6 . .
C2 C7 C6 120.11(18) . .
C2 C7 H7 119.9 . .
C6 C7 H7 119.9 . .
N2 C8 C9 111.29(13) . .
N2 C8 H8A 109.4 . .
C9 C8 H8A 109.4 . .
N2 C8 H8B 109.4 . .
C9 C8 H8B 109.4 . .
H8A C8 H8B 108.0 . .
C14 C9 C10 119.84(16) . .
C14 C9 C8 119.57(14) . .
C10 C9 C8 120.55(16) . .
C11 C10 C9 120.27(18) . .
C11 C10 H10 119.9 . .
C9 C10 H10 119.9 . .
C12 C11 C10 120.22(17) . .
C12 C11 H11 119.9 . .
C10 C11 H11 119.9 . .
C11 C12 C13 119.72(17) . .
C11 C12 H12 120.1 . .
C13 C12 H12 120.1 . .
C12 C13 C14 120.40(17) . .
C12 C13 H13 119.8 . .
C14 C13 H13 119.8 . .
C9 C14 C13 119.50(16) . .
C9 C14 C15 119.91(15) . .
C13 C14 C15 120.58(16) . .
N1 C15 C14 111.89(13) . .
N1 C15 H15A 109.2 . .
C14 C15 H15A 109.2 . .
N1 C15 H15B 109.2 . .
C14 C15 H15B 109.2 . .
H15A C15 H15B 107.9 . .
N1 C16 C17 111.95(12) . .
N1 C16 P1 105.17(10) . .
C17 C16 P1 113.21(11) . .
N1 C16 H16 108.8 . .
C17 C16 H16 108.8 . .
P1 C16 H16 108.8 . .
C22 C17 C18 119.19(15) . .
C22 C17 C16 119.39(14) . .
C18 C17 C16 121.38(14) . .
C19 C18 C17 120.23(16) . .
C19 C18 H18 119.9 . .
C17 C18 H18 119.9 . .
C20 C19 C18 120.34(17) . .
C20 C19 H19 119.8 . .
C18 C19 H19 119.8 . .
C21 C20 C19 119.66(16) . .
C21 C20 H20 120.2 . .
C19 C20 H20 120.2 . .
C20 C21 C22 120.44(17) . .
C20 C21 H21 119.8 . .
C22 C21 H21 119.8 . .
C21 C22 C17 120.13(16) . .
C21 C22 H22 119.9 . .
C17 C22 H22 119.9 . .
C24 C23 C28 118.91(15) . .
C24 C23 P1 125.38(12) . .
C28 C23 P1 115.05(12) . .
C25 C24 C23 120.67(15) . .
C25 C24 H24 119.7 . .
C23 C24 H24 119.7 . .
C26 C25 C24 119.84(16) . .
C26 C25 H25 120.1 . .
C24 C25 H25 120.1 . .
C25 C26 C27 120.26(16) . .
C25 C26 H26 119.9 . .
C27 C26 H26 119.9 . .
C26 C27 C28 120.00(16) . .
C26 C27 H27 120.0 . .
C28 C27 H27 120.0 . .
C27 C28 C23 120.26(16) . .
C27 C28 H28 119.9 . .
C23 C28 H28 119.9 . .
O C29 Rh 180.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh C29 1.819(2) .
Rh P1 2.3142(4) .
Rh P1 2.3142(4) 2
Rh Cl 2.3640(6) .
P1 C23 1.8199(16) .
P1 C16 1.8588(15) .
P1 C1 1.8634(16) .
O C29 1.132(3) .
N1 C16 1.4713(19) .
N1 C15 1.474(2) .
N1 N2 1.4803(17) .
N2 C8 1.466(2) .
N2 C1 1.478(2) .
C1 C2 1.514(2) .
C1 H1 1.0000 .
C2 C3 1.385(2) .
C2 C7 1.388(2) .
C3 C4 1.392(2) .
C3 H3 0.9500 .
C4 C5 1.375(3) .
C4 H4 0.9500 .
C5 C6 1.380(3) .
C5 H5 0.9500 .
C6 C7 1.390(3) .
C6 H6 0.9500 .
C7 H7 0.9500 .
C8 C9 1.505(2) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C14 1.388(2) .
C9 C10 1.391(2) .
C10 C11 1.386(3) .
C10 H10 0.9500 .
C11 C12 1.382(3) .
C11 H11 0.9500 .
C12 C13 1.389(3) .
C12 H12 0.9500 .
C13 C14 1.396(2) .
C13 H13 0.9500 .
C14 C15 1.507(2) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 C17 1.509(2) .
C16 H16 1.0000 .
C17 C22 1.391(2) .
C17 C18 1.395(2) .
C18 C19 1.387(2) .
C18 H18 0.9500 .
C19 C20 1.384(3) .
C19 H19 0.9500 .
C20 C21 1.383(3) .
C20 H20 0.9500 .
C21 C22 1.390(2) .
C21 H21 0.9500 .
C22 H22 0.9500 .
C23 C24 1.395(2) .
C23 C28 1.399(2) .
C24 C25 1.391(2) .
C24 H24 0.9500 .
C25 C26 1.382(3) .
C25 H25 0.9500 .
C26 C27 1.389(3) .
C26 H26 0.9500 .
C27 C28 1.391(2) .
C27 H27 0.9500 .
C28 H28 0.9500 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
C29 Rh P1 C23 -45.51(6) .
P1 Rh P1 C23 -45.52(6) 2
Cl Rh P1 C23 134.49(6) .
C29 Rh P1 C16 -169.36(6) .
P1 Rh P1 C16 -169.37(6) 2
Cl Rh P1 C16 10.64(6) .
C29 Rh P1 C1 82.24(6) .
P1 Rh P1 C1 82.23(6) 2
Cl Rh P1 C1 -97.76(6) .
C16 N1 N2 C8 -169.57(12) .
C15 N1 N2 C8 76.34(14) .
C16 N1 N2 C1 -52.59(14) .
C15 N1 N2 C1 -166.68(12) .
C8 N2 C1 C2 -85.27(15) .
N1 N2 C1 C2 159.37(12) .
C8 N2 C1 P1 150.50(10) .
N1 N2 C1 P1 35.15(13) .
C23 P1 C1 N2 -111.84(10) .
C16 P1 C1 N2 -8.32(10) .
Rh P1 C1 N2 116.27(9) .
C23 P1 C1 C2 126.88(12) .
C16 P1 C1 C2 -129.61(12) .
Rh P1 C1 C2 -5.01(13) .
N2 C1 C2 C3 146.06(15) .
P1 C1 C2 C3 -95.15(16) .
N2 C1 C2 C7 -33.7(2) .
P1 C1 C2 C7 85.13(18) .
C7 C2 C3 C4 1.3(3) .
C1 C2 C3 C4 -178.39(15) .
C2 C3 C4 C5 0.1(3) .
C3 C4 C5 C6 -1.4(3) .
C4 C5 C6 C7 1.3(3) .
C3 C2 C7 C6 -1.4(3) .
C1 C2 C7 C6 178.30(19) .
C5 C6 C7 C2 0.1(4) .
C1 N2 C8 C9 -174.15(12) .
N1 N2 C8 C9 -57.49(16) .
N2 C8 C9 C14 20.2(2) .
N2 C8 C9 C10 -161.94(14) .
C14 C9 C10 C11 -2.2(2) .
C8 C9 C10 C11 179.94(16) .
C9 C10 C11 C12 0.4(3) .
C10 C11 C12 C13 1.6(3) .
C11 C12 C13 C14 -1.8(3) .
C10 C9 C14 C13 2.0(2) .
C8 C9 C14 C13 179.87(15) .
C10 C9 C14 C15 -178.08(15) .
C8 C9 C14 C15 -0.2(2) .
C12 C13 C14 C9 0.0(2) .
C12 C13 C14 C15 -179.94(15) .
C16 N1 C15 C14 -168.04(12) .
N2 N1 C15 C14 -55.02(16) .
C9 C14 C15 N1 18.4(2) .
C13 C14 C15 N1 -161.68(14) .
C15 N1 C16 C17 -80.54(15) .
N2 N1 C16 C17 166.65(12) .
C15 N1 C16 P1 156.13(10) .
N2 N1 C16 P1 43.32(12) .
C23 P1 C16 N1 88.21(11) .
C1 P1 C16 N1 -19.94(10) .
Rh P1 C16 N1 -141.62(8) .
C23 P1 C16 C17 -34.31(12) .
C1 P1 C16 C17 -142.46(12) .
Rh P1 C16 C17 95.86(11) .
N1 C16 C17 C22 158.66(14) .
P1 C16 C17 C22 -82.67(17) .
N1 C16 C17 C18 -23.6(2) .
P1 C16 C17 C18 95.07(16) .
C22 C17 C18 C19 -0.3(3) .
C16 C17 C18 C19 -178.02(16) .
C17 C18 C19 C20 0.8(3) .
C18 C19 C20 C21 -1.1(3) .
C19 C20 C21 C22 1.0(3) .
C20 C21 C22 C17 -0.5(3) .
C18 C17 C22 C21 0.1(3) .
C16 C17 C22 C21 177.93(15) .
C16 P1 C23 C24 -76.52(15) .
C1 P1 C23 C24 18.98(16) .
Rh P1 C23 C24 151.01(12) .
C16 P1 C23 C28 93.98(13) .
C1 P1 C23 C28 -170.53(12) .
Rh P1 C23 C28 -38.49(14) .
C28 C23 C24 C25 1.4(2) .
P1 C23 C24 C25 171.58(13) .
C23 C24 C25 C26 -2.3(3) .
C24 C25 C26 C27 0.7(3) .
C25 C26 C27 C28 1.6(3) .
C26 C27 C28 C23 -2.5(3) .
C24 C23 C28 C27 1.0(2) .
P1 C23 C28 C27 -170.20(13) .
P1 Rh C29 O -121(100) .
P1 Rh C29 O 59(100) 2
Cl Rh C29 O 0(100) .
