#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:35:21 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178572 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/82/4068212.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_4068212
loop_
_publ_author_name
'Shaw, Bryan K.'
'Patrick, Brian O.'
'Fryzuk, Michael D.'
_publ_section_title
;
 Thermal Rearrangement via P--C Bond Cleavage of a Tridentate
 Diphosphine--N-Heterocyclic Carbene Ligand System Coordinated to Rhodium
;
_journal_issue                   3
_journal_name_full               Organometallics
_journal_page_first              783
_journal_paper_doi               10.1021/om201233e
_journal_volume                  31
_journal_year                    2012
_chemical_formula_sum            'C65.75 H86 N4 O P4 Rh2'
_chemical_formula_weight         1278.09
_chemical_name_systematic
;
 ?
;
_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                90.000(5)
_cell_angle_beta                 115.799(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   29.629(5)
_cell_length_b                   8.564(5)
_cell_length_c                   27.107(5)
_cell_measurement_reflns_used    9852
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      29.57
_cell_measurement_theta_min      1.70
_cell_volume                     6193(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker X8 Apex 2'
_diffrn_measurement_method       'area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0785
_diffrn_reflns_av_sigmaI/netI    0.0747
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            43466
_diffrn_reflns_theta_full        29.57
_diffrn_reflns_theta_max         29.57
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    0.681
_exptl_absorpt_correction_T_max  0.9342
_exptl_absorpt_correction_T_min  0.7036
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS,Sheldrick(2008)
_exptl_crystal_colour            grey
_exptl_crystal_density_diffrn    1.371
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2666
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.586
_refine_diff_density_min         -1.197
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     348
_refine_ls_number_reflns         8575
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0822
_refine_ls_R_factor_gt           0.0453
_refine_ls_shift/su_max          0.095
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0477P)²+6.0316P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0954
_refine_ls_wR_factor_ref         0.1068
_reflns_number_gt                5846
_reflns_number_total             8575
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om201233e_si_004.cif
_cod_data_source_block           m790_0m
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4068212
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
_atom_site_disorder_group
Rh1 Rh 0.155878(9) 0.29525(3) 0.632898(9) 0.01365(7) Uani 1 1 d . .
P1 P 0.11038(3) 0.19997(10) 0.54424(3) 0.01651(16) Uani 1 1 d . .
P2 P 0.10127(3) 0.26637(9) 0.67006(3) 0.01441(17) Uani 1 1 d . .
N1 N 0.22743(10) 0.5349(3) 0.68109(10) 0.0174(6) Uiso 1 1 d . .
O01 O 0.0000 0.0129(4) 0.7500 0.0347(9) Uani 1 2 d S .
N2 N 0.18543(10) 0.5286(3) 0.73002(10) 0.0167(5) Uiso 1 1 d . .
C16 C 0.15948(12) 0.4706(4) 0.75876(13) 0.0181(7) Uani 1 1 d . .
C15 C 0.15814(14) -0.0892(4) 0.58070(14) 0.0280(8) Uani 1 1 d . .
H9A H 0.1351 -0.1206 0.5961 0.042 Uiso 1 1 calc R .
H9B H 0.1852 -0.0257 0.6075 0.042 Uiso 1 1 calc R .
H9C H 0.1724 -0.1825 0.5719 0.042 Uiso 1 1 calc R .
C3 C 0.22342(12) 0.6533(4) 0.75490(13) 0.0187(7) Uani 1 1 d . .
H10A H 0.2502 0.6194 0.7905 0.022 Uiso 1 1 calc R .
H10B H 0.2079 0.7500 0.7604 0.022 Uiso 1 1 calc R .
C11 C 0.05094(13) 0.5405(4) 0.62706(15) 0.0262(8) Uani 1 1 d . .
H11A H 0.0195 0.5938 0.6040 0.039 Uiso 1 1 calc R .
H11B H 0.0738 0.5466 0.6097 0.039 Uiso 1 1 calc R .
H11C H 0.0664 0.5909 0.6631 0.039 Uiso 1 1 calc R .
C12 C 0.00276(13) 0.3566(5) 0.65870(16) 0.0301(8) Uani 1 1 d . .
H12A H 0.0163 0.4099 0.6942 0.045 Uiso 1 1 calc R .
H12B H -0.0030 0.2463 0.6637 0.045 Uiso 1 1 calc R .
H12C H -0.0290 0.4055 0.6340 0.045 Uiso 1 1 calc R .
C21 C 0.12344(12) 0.3506(4) 0.73937(12) 0.0162(6) Uani 1 1 d . .
C25 C 0.08290(12) 0.0660(3) 0.68105(12) 0.0160(6) Uani 1 1 d . .
H14 H 0.0633 0.0751 0.7031 0.019 Uiso 1 1 calc R .
C20 C 0.10204(12) 0.3006(4) 0.77391(13) 0.0213(7) Uani 1 1 d . .
H15 H 0.0777 0.2197 0.7615 0.026 Uiso 1 1 calc R .
C9 C 0.21662(12) 0.3422(4) 0.61496(12) 0.0169(6) Uani 1 1 d . .
C7 C 0.27904(12) 0.3264(4) 0.57807(13) 0.0218(7) Uani 1 1 d . .
H17 H 0.2916 0.2719 0.5562 0.026 Uiso 1 1 calc R .
C19 C 0.11503(13) 0.3641(4) 0.82510(14) 0.0257(8) Uani 1 1 d . .
H18 H 0.1007 0.3253 0.8479 0.031 Uiso 1 1 calc R .
C5 C 0.28438(12) 0.5388(4) 0.63795(13) 0.0215(7) Uani 1 1 d . .
H19 H 0.2998 0.6321 0.6566 0.026 Uiso 1 1 calc R .
C13 C 0.12973(12) 0.0059(4) 0.52874(13) 0.0198(7) Uani 1 1 d . .
H20 H 0.1543 0.0280 0.5135 0.024 Uiso 1 1 calc R .
C27 C 0.12959(12) -0.0312(4) 0.71387(13) 0.0230(7) Uani 1 1 d . .
H21A H 0.1197 -0.1384 0.7172 0.035 Uiso 1 1 calc R .
H21B H 0.1478 0.0142 0.7505 0.035 Uiso 1 1 calc R .
H21C H 0.1513 -0.0319 0.6950 0.035 Uiso 1 1 calc R .
C1 C 0.19150(11) 0.4544(4) 0.68859(12) 0.0151(6) Uani 1 1 d . .
C23 C 0.04020(12) 0.3695(4) 0.63389(13) 0.0199(7) Uani 1 1 d . .
H23 H 0.0235 0.3238 0.5962 0.024 Uiso 1 1 calc R .
C4 C 0.24370(12) 0.4758(4) 0.64332(12) 0.0161(6) Uani 1 1 d . .
C2 C 0.24382(12) 0.6778(4) 0.71293(13) 0.0202(7) Uani 1 1 d . .
H25A H 0.2290 0.7713 0.6901 0.024 Uiso 1 1 calc R .
H25B H 0.2808 0.6871 0.7306 0.024 Uiso 1 1 calc R .
C6 C 0.30223(12) 0.4623(4) 0.60464(13) 0.0234(7) Uani 1 1 d . .
H26 H 0.3301 0.5030 0.6002 0.028 Uiso 1 1 calc R .
C8 C 0.23734(12) 0.2692(4) 0.58330(12) 0.0188(7) Uani 1 1 d . .
H27 H 0.2222 0.1759 0.5644 0.023 Uiso 1 1 calc R .
C17 C 0.17123(12) 0.5369(4) 0.81038(13) 0.0234(7) Uani 1 1 d . .
H28 H 0.1950 0.6194 0.8233 0.028 Uiso 1 1 calc R .
C18 C 0.14916(13) 0.4849(4) 0.84253(14) 0.0280(8) Uani 1 1 d . .
H29 H 0.1575 0.5326 0.8771 0.034 Uiso 1 1 calc R .
C120 C 0.09869(18) 0.4927(4) 0.49689(16) 0.0409(11) Uani 1 1 d . .
H30A H 0.1048 0.5632 0.4719 0.061 Uiso 1 1 calc R .
H30B H 0.1163 0.5319 0.5345 0.061 Uiso 1 1 calc R .
H30C H 0.0626 0.4878 0.4865 0.061 Uiso 1 1 calc R .
C110 C 0.09541(14) 0.2713(5) 0.43409(14) 0.0305(8) Uani 1 1 d . .
H31A H 0.0592 0.2567 0.4209 0.046 Uiso 1 1 calc R .
H31B H 0.1110 0.1716 0.4325 0.046 Uiso 1 1 calc R .
H31C H 0.1017 0.3481 0.4110 0.046 Uiso 1 1 calc R .
C32 C 0.03683(17) -0.0828(5) 0.79202(16) 0.0387(10) Uani 1 1 d . .
C10 C 0.11795(13) 0.3300(4) 0.49341(13) 0.0239(7) Uani 1 1 d . .
H33 H 0.1548 0.3406 0.5053 0.029 Uiso 1 1 calc R .
C26 C 0.04984(13) -0.0152(4) 0.62717(13) 0.0221(7) Uani 1 1 d . .
H34A H 0.0686 -0.0282 0.6053 0.033 Uiso 1 1 calc R .
H34B H 0.0199 0.0484 0.6067 0.033 Uiso 1 1 calc R .
H34C H 0.0397 -0.1178 0.6348 0.033 Uiso 1 1 calc R .
C14 C 0.08818(14) -0.0909(5) 0.48551(17) 0.0374(10) Uani 1 1 d . .
H35A H 0.1028 -0.1818 0.4759 0.056 Uiso 1 1 calc R .
H35B H 0.0701 -0.0270 0.4528 0.056 Uiso 1 1 calc R .
H35C H 0.0649 -0.1261 0.5001 0.056 Uiso 1 1 calc R .
C28 C 0.04137(12) 0.1935(4) 0.51233(14) 0.0248(7) Uani 1 1 d . .
H37A H 0.0289 0.1689 0.4733 0.037 Uiso 1 1 calc R .
H37B H 0.0283 0.2952 0.5165 0.037 Uiso 1 1 calc R .
H37C H 0.0302 0.1129 0.5302 0.037 Uiso 1 1 calc R .
C201 C 0.24884(15) 0.8638(5) 0.52639(15) 0.0306(8) Uani 1 1 d . .
C200 C 0.1998(2) 0.8002(7) 0.49307(19) 0.0620(16) Uani 1 1 d . .
C44 C 0.0277(7) -0.2497(8) 0.7717(6) 0.070(5) Uani 0.84(5) 1 d P 1
C88 C 0.0093(17) -0.245(3) 0.7797(10) 0.013(11) Uiso 0.16(5) 1 d P 2
C399 C 0.2909(3) 0.8319(9) 0.5109(3) 0.074(3) Uiso 0.912(17) 1 d P 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C1 Rh1 C9 79.45(13) . .
C1 Rh1 P2 89.01(9) . .
C9 Rh1 P2 167.66(9) . .
C1 Rh1 P1 155.57(9) . .
C9 Rh1 P1 89.87(9) . .
P2 Rh1 P1 102.48(3) . .
C28 P1 C10 97.89(16) . .
C28 P1 C13 104.75(16) . .
C10 P1 C13 102.64(15) . .
C28 P1 Rh1 121.34(11) . .
C10 P1 Rh1 110.61(11) . .
C13 P1 Rh1 116.59(11) . .
C21 P2 C23 100.61(15) . .
C21 P2 C25 101.33(14) . .
C23 P2 C25 103.67(15) . .
C21 P2 Rh1 113.83(11) . .
C23 P2 Rh1 115.67(11) . .
C25 P2 Rh1 119.18(10) . .
C1 N1 C4 117.9(3) . .
C1 N1 C2 114.8(3) . .
C4 N1 C2 127.2(3) . .
C32 O01 C32 110.7(4) 2_556 .
C1 N2 C16 126.2(3) . .
C1 N2 C3 111.3(3) . .
C16 N2 C3 119.5(3) . .
N2 C16 C17 116.9(3) . .
N2 C16 C21 124.1(3) . .
C17 C16 C21 119.0(3) . .
C13 C15 H9A 109.5 . .
C13 C15 H9B 109.5 . .
H9A C15 H9B 109.5 . .
C13 C15 H9C 109.5 . .
H9A C15 H9C 109.5 . .
H9B C15 H9C 109.5 . .
N2 C3 C2 103.3(2) . .
N2 C3 H10A 111.1 . .
C2 C3 H10A 111.1 . .
N2 C3 H10B 111.1 . .
C2 C3 H10B 111.1 . .
H10A C3 H10B 109.1 . .
C23 C11 H11A 109.5 . .
C23 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C23 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C23 C12 H12A 109.5 . .
C23 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C23 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C20 C21 C16 117.5(3) . .
C20 C21 P2 119.6(2) . .
C16 C21 P2 122.7(2) . .
C27 C25 C26 110.5(3) . .
C27 C25 P2 110.0(2) . .
C26 C25 P2 112.1(2) . .
C27 C25 H14 108.0 . .
C26 C25 H14 108.0 . .
P2 C25 H14 108.0 . .
C19 C20 C21 122.7(3) . .
C19 C20 H15 118.7 . .
C21 C20 H15 118.7 . .
C8 C9 C4 113.4(3) . .
C8 C9 Rh1 134.9(2) . .
C4 C9 Rh1 111.7(2) . .
C6 C7 C8 120.3(3) . .
C6 C7 H17 119.8 . .
C8 C7 H17 119.8 . .
C18 C19 C20 118.8(3) . .
C18 C19 H18 120.6 . .
C20 C19 H18 120.6 . .
C4 C5 C6 118.6(3) . .
C4 C5 H19 120.7 . .
C6 C5 H19 120.7 . .
C15 C13 C14 110.9(3) . .
C15 C13 P1 111.6(2) . .
C14 C13 P1 115.7(2) . .
C15 C13 H20 106.0 . .
C14 C13 H20 106.0 . .
P1 C13 H20 106.0 . .
C25 C27 H21A 109.5 . .
C25 C27 H21B 109.5 . .
H21A C27 H21B 109.5 . .
C25 C27 H21C 109.5 . .
H21A C27 H21C 109.5 . .
H21B C27 H21C 109.5 . .
N1 C1 N2 106.2(3) . .
N1 C1 Rh1 115.6(2) . .
N2 C1 Rh1 137.2(2) . .
C11 C23 C12 110.6(3) . .
C11 C23 P2 108.2(2) . .
C12 C23 P2 117.3(2) . .
C11 C23 H23 106.7 . .
C12 C23 H23 106.7 . .
P2 C23 H23 106.7 . .
C5 C4 N1 121.9(3) . .
C5 C4 C9 124.8(3) . .
N1 C4 C9 113.2(3) . .
N1 C2 C3 100.9(2) . .
N1 C2 H25A 111.6 . .
C3 C2 H25A 111.6 . .
N1 C2 H25B 111.6 . .
C3 C2 H25B 111.6 . .
H25A C2 H25B 109.4 . .
C7 C6 C5 119.4(3) . .
C7 C6 H26 120.3 . .
C5 C6 H26 120.3 . .
C7 C8 C9 123.4(3) . .
C7 C8 H27 118.3 . .
C9 C8 H27 118.3 . .
C18 C17 C16 121.4(3) . .
C18 C17 H28 119.3 . .
C16 C17 H28 119.3 . .
C17 C18 C19 120.5(3) . .
C17 C18 H29 119.8 . .
C19 C18 H29 119.8 . .
C10 C120 H30A 109.5 . .
C10 C120 H30B 109.5 . .
H30A C120 H30B 109.5 . .
C10 C120 H30C 109.5 . .
H30A C120 H30C 109.5 . .
H30B C120 H30C 109.5 . .
C10 C110 H31A 109.5 . .
C10 C110 H31B 109.5 . .
H31A C110 H31B 109.5 . .
C10 C110 H31C 109.5 . .
H31A C110 H31C 109.5 . .
H31B C110 H31C 109.5 . .
O01 C32 C44 107.2(4) . .
O01 C32 C88 100.9(13) . .
C44 C32 C88 25.1(8) . .
C120 C10 C110 111.2(3) . .
C120 C10 P1 109.4(3) . .
C110 C10 P1 116.3(2) . .
C120 C10 H33 106.5 . .
C110 C10 H33 106.5 . .
P1 C10 H33 106.5 . .
C25 C26 H34A 109.5 . .
C25 C26 H34B 109.5 . .
H34A C26 H34B 109.5 . .
C25 C26 H34C 109.5 . .
H34A C26 H34C 109.5 . .
H34B C26 H34C 109.5 . .
C13 C14 H35A 109.5 . .
C13 C14 H35B 109.5 . .
H35A C14 H35B 109.5 . .
C13 C14 H35C 109.5 . .
H35A C14 H35C 109.5 . .
H35B C14 H35C 109.5 . .
P1 C28 H37A 109.5 . .
P1 C28 H37B 109.5 . .
H37A C28 H37B 109.5 . .
P1 C28 H37C 109.5 . .
H37A C28 H37C 109.5 . .
H37B C28 H37C 109.5 . .
C200 C201 C399 119.2(4) . .
C399 C200 C201 102.1(6) 7_566 .
C32 C44 C44 103.8(9) . 2_556
C88 C88 C32 98.4(18) 2_556 .
C200 C399 C201 117.0(6) 7_566 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C1 1.966(3) .
Rh1 C9 2.097(3) .
Rh1 P2 2.2610(9) .
Rh1 P1 2.3321(9) .
P1 C28 1.842(3) .
P1 C10 1.860(3) .
P1 C13 1.865(3) .
P2 C21 1.846(3) .
P2 C23 1.863(3) .
P2 C25 1.863(3) .
N1 C1 1.356(4) .
N1 C4 1.402(4) .
N1 C2 1.454(4) .
O01 C32 1.441(4) 2_556
O01 C32 1.441(4) .
N2 C1 1.368(4) .
N2 C16 1.402(4) .
N2 C3 1.484(4) .
C16 C17 1.406(4) .
C16 C21 1.409(4) .
C15 C13 1.524(5) .
C15 H9A 0.9800 .
C15 H9B 0.9800 .
C15 H9C 0.9800 .
C3 C2 1.517(4) .
C3 H10A 0.9900 .
C3 H10B 0.9900 .
C11 C23 1.527(5) .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 C23 1.531(5) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C21 C20 1.407(4) .
C25 C27 1.525(4) .
C25 C26 1.527(4) .
C25 H14 1.0000 .
C20 C19 1.380(4) .
C20 H15 0.9500 .
C9 C8 1.401(4) .
C9 C4 1.416(4) .
C7 C6 1.383(5) .
C7 C8 1.393(4) .
C7 H17 0.9500 .
C19 C18 1.379(5) .
C19 H18 0.9500 .
C5 C4 1.385(4) .
C5 C6 1.392(5) .
C5 H19 0.9500 .
C13 C14 1.523(5) .
C13 H20 1.0000 .
C27 H21A 0.9800 .
C27 H21B 0.9800 .
C27 H21C 0.9800 .
C23 H23 1.0000 .
C2 H25A 0.9900 .
C2 H25B 0.9900 .
C6 H26 0.9500 .
C8 H27 0.9500 .
C17 C18 1.372(5) .
C17 H28 0.9500 .
C18 H29 0.9500 .
C120 C10 1.524(5) .
C120 H30A 0.9800 .
C120 H30B 0.9800 .
C120 H30C 0.9800 .
C110 C10 1.533(5) .
C110 H31A 0.9800 .
C110 H31B 0.9800 .
C110 H31C 0.9800 .
C32 C44 1.513(9) .
C32 C88 1.57(3) .
C10 H33 1.0000 .
C26 H34A 0.9800 .
C26 H34B 0.9800 .
C26 H34C 0.9800 .
C14 H35A 0.9800 .
C14 H35B 0.9800 .
C14 H35C 0.9800 .
C28 H37A 0.9800 .
C28 H37B 0.9800 .
C28 H37C 0.9800 .
C201 C200 1.442(6) .
C201 C399 1.504(8) .
C200 C399 1.180(8) 7_566
C44 C44 1.55(2) 2_556
C88 C88 1.46(5) 2_556
C399 C200 1.180(8) 7_566
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_4
C1 Rh1 P1 C28 -93.8(3) . .
C9 Rh1 P1 C28 -157.18(16) . .
P2 Rh1 P1 C28 22.61(14) . .
C1 Rh1 P1 C10 19.8(3) . .
C9 Rh1 P1 C10 -43.56(15) . .
P2 Rh1 P1 C10 136.23(12) . .
C1 Rh1 P1 C13 136.6(2) . .
C9 Rh1 P1 C13 73.16(15) . .
P2 Rh1 P1 C13 -107.05(12) . .
C1 Rh1 P2 C21 -15.81(14) . .
C9 Rh1 P2 C21 5.0(4) . .
P1 Rh1 P2 C21 -174.05(11) . .
C1 Rh1 P2 C23 100.02(15) . .
C9 Rh1 P2 C23 120.8(4) . .
P1 Rh1 P2 C23 -58.23(12) . .
C1 Rh1 P2 C25 -135.32(14) . .
C9 Rh1 P2 C25 -114.5(4) . .
P1 Rh1 P2 C25 66.43(12) . .
C1 N2 C16 C17 159.2(3) . .
C3 N2 C16 C17 0.4(4) . .
C1 N2 C16 C21 -20.0(5) . .
C3 N2 C16 C21 -178.8(3) . .
C1 N2 C3 C2 16.0(3) . .
C16 N2 C3 C2 177.8(3) . .
N2 C16 C21 C20 177.5(3) . .
C17 C16 C21 C20 -1.7(5) . .
N2 C16 C21 P2 -6.0(4) . .
C17 C16 C21 P2 174.9(2) . .
C23 P2 C21 C20 75.6(3) . .
C25 P2 C21 C20 -30.8(3) . .
Rh1 P2 C21 C20 -160.0(2) . .
C23 P2 C21 C16 -100.9(3) . .
C25 P2 C21 C16 152.7(3) . .
Rh1 P2 C21 C16 23.5(3) . .
C21 P2 C25 C27 -72.4(2) . .
C23 P2 C25 C27 -176.4(2) . .
Rh1 P2 C25 C27 53.3(2) . .
C21 P2 C25 C26 164.1(2) . .
C23 P2 C25 C26 60.1(3) . .
Rh1 P2 C25 C26 -70.2(2) . .
C16 C21 C20 C19 0.0(5) . .
P2 C21 C20 C19 -176.7(3) . .
C1 Rh1 C9 C8 166.3(3) . .
P2 Rh1 C9 C8 145.1(3) . .
P1 Rh1 C9 C8 -35.8(3) . .
C1 Rh1 C9 C4 -10.8(2) . .
P2 Rh1 C9 C4 -32.0(6) . .
P1 Rh1 C9 C4 147.1(2) . .
C21 C20 C19 C18 2.1(5) . .
C28 P1 C13 C15 -114.8(3) . .
C10 P1 C13 C15 143.4(2) . .
Rh1 P1 C13 C15 22.3(3) . .
C28 P1 C13 C14 13.2(3) . .
C10 P1 C13 C14 -88.6(3) . .
Rh1 P1 C13 C14 150.3(2) . .
C4 N1 C1 N2 175.3(2) . .
C2 N1 C1 N2 -6.3(3) . .
C4 N1 C1 Rh1 -14.3(3) . .
C2 N1 C1 Rh1 164.1(2) . .
C16 N2 C1 N1 -167.0(3) . .
C3 N2 C1 N1 -6.7(3) . .
C16 N2 C1 Rh1 25.8(5) . .
C3 N2 C1 Rh1 -174.0(3) . .
C9 Rh1 C1 N1 13.5(2) . .
P2 Rh1 C1 N1 -170.9(2) . .
P1 Rh1 C1 N1 -51.9(4) . .
C9 Rh1 C1 N2 179.9(3) . .
P2 Rh1 C1 N2 -4.5(3) . .
P1 Rh1 C1 N2 114.5(3) . .
C21 P2 C23 C11 70.6(3) . .
C25 P2 C23 C11 175.2(2) . .
Rh1 P2 C23 C11 -52.5(3) . .
C21 P2 C23 C12 -55.2(3) . .
C25 P2 C23 C12 49.3(3) . .
Rh1 P2 C23 C12 -178.3(2) . .
C6 C5 C4 N1 172.1(3) . .
C6 C5 C4 C9 -3.6(5) . .
C1 N1 C4 C5 -171.8(3) . .
C2 N1 C4 C5 10.0(5) . .
C1 N1 C4 C9 4.4(4) . .
C2 N1 C4 C9 -173.8(3) . .
C8 C9 C4 C5 5.0(4) . .
Rh1 C9 C4 C5 -177.3(3) . .
C8 C9 C4 N1 -171.1(3) . .
Rh1 C9 C4 N1 6.7(3) . .
C1 N1 C2 C3 15.8(3) . .
C4 N1 C2 C3 -166.0(3) . .
N2 C3 C2 N1 -17.7(3) . .
C8 C7 C6 C5 1.9(5) . .
C4 C5 C6 C7 -0.1(5) . .
C6 C7 C8 C9 -0.3(5) . .
C4 C9 C8 C7 -2.9(4) . .
Rh1 C9 C8 C7 180.0(2) . .
N2 C16 C17 C18 -177.9(3) . .
C21 C16 C17 C18 1.4(5) . .
C16 C17 C18 C19 0.8(6) . .
C20 C19 C18 C17 -2.5(5) . .
C32 O01 C32 C44 8.9(12) 2_556 .
C32 O01 C32 C88 -16.2(13) 2_556 .
C28 P1 C10 C120 67.5(3) . .
C13 P1 C10 C120 174.6(3) . .
Rh1 P1 C10 C120 -60.4(3) . .
C28 P1 C10 C110 -59.5(3) . .
C13 P1 C10 C110 47.7(3) . .
Rh1 P1 C10 C110 172.7(2) . .
C399 C201 C200 C399 49.3(8) . 7_566
O01 C32 C44 C44 -22(3) . 2_556
C88 C32 C44 C44 57(2) . 2_556
O01 C32 C88 C88 45(4) . 2_556
C44 C32 C88 C88 -63(3) . 2_556
C200 C201 C399 C200 -56.4(9) . 7_566
