#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:53:05 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178586 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/97/4069700.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_4069700
loop_
_publ_author_name
'Leelasubcharoen, Somying'
'Zhizhko, Pavel A.'
'Kuzmina, Lyudmila G.'
'Churakov, Andrei V.'
'Howard, Judith A. K.'
'Nikonov, Georgii I.'
_publ_section_title
;
 Niobium/Rhodium Bimetallic Complexes: Synthesis, Structure, and Catalytic
 Hydrosilylation of Acetophenone and Benzaldehyde
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              4500
_journal_paper_doi               10.1021/om900363r
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C34 H41 Cl N Nb P Rh, 0.5(C6 H14)'
_chemical_formula_sum            'C37 H48 Cl N Nb P Rh'
_chemical_formula_weight         769.00
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 98.312(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.1766(6)
_cell_length_b                   18.6877(12)
_cell_length_c                   20.1635(12)
_cell_measurement_reflns_used    940
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      29.393
_cell_measurement_theta_min      3.129
_cell_volume                     3421.5(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART-1K'
_diffrn_measurement_method       ω
_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  0.0531
_diffrn_reflns_av_sigmaI/netI    0.0657
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            23855
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         1.49
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.968
_exptl_absorpt_correction_T_max  0.9094
_exptl_absorpt_correction_T_min  0.7098
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2004)'
_exptl_crystal_colour            yellow-orange
_exptl_crystal_density_diffrn    1.493
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1580
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.038
_refine_diff_density_min         -1.066
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.164
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         8234
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.164
_refine_ls_R_factor_all          0.0870
_refine_ls_R_factor_gt           0.0587
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0240P)²+11.7287P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1050
_refine_ls_wR_factor_ref         0.1113
_reflns_number_gt                6317
_reflns_number_total             8234
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            om900363r_si_001.cif
_cod_data_source_block           4
_cod_original_sg_symbol_H-M      'P 2(1)/c'
_cod_database_code               4069700
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Rh1 Rh 0.18435(4) 0.68139(2) 0.438355(18) 0.01674(9) Uani 1 1 d .
Nb1 Nb -0.08185(5) 0.84595(2) 0.33645(2) 0.01679(10) Uani 1 1 d .
P1 P 0.00613(12) 0.70877(6) 0.34396(6) 0.0148(2) Uani 1 1 d .
Cl1 Cl 0.35145(13) 0.77025(7) 0.40831(7) 0.0273(3) Uani 1 1 d .
N1 N -0.2517(4) 0.8268(2) 0.2854(2) 0.0203(9) Uani 1 1 d .
C1 C 0.0195(6) 0.8653(3) 0.2312(3) 0.0252(11) Uani 1 1 d .
H1A H -0.0099 0.8389 0.1883 0.030 Uiso 1 1 calc R
C2 C 0.1414(5) 0.8491(3) 0.2800(2) 0.0231(10) Uani 1 1 d .
H2A H 0.2112 0.8084 0.2777 0.028 Uiso 1 1 calc R
C3 C 0.1621(5) 0.9063(3) 0.3263(3) 0.0249(11) Uani 1 1 d .
H3A H 0.2468 0.9119 0.3631 0.030 Uiso 1 1 calc R
C4 C 0.0497(6) 0.9565(3) 0.3081(3) 0.0281(12) Uani 1 1 d .
H4A H 0.0424 1.0047 0.3289 0.034 Uiso 1 1 calc R
C5 C -0.0390(6) 0.9315(3) 0.2489(3) 0.0286(12) Uani 1 1 d .
H5A H -0.1167 0.9597 0.2204 0.034 Uiso 1 1 calc R
C6 C -0.2281(6) 0.8505(3) 0.4305(2) 0.0247(11) Uani 1 1 d .
H6A H -0.3330 0.8351 0.4285 0.030 Uiso 1 1 calc R
C7 C -0.1035(6) 0.8089(3) 0.4544(2) 0.0257(11) Uani 1 1 d .
H7A H -0.1055 0.7585 0.4707 0.031 Uiso 1 1 calc R
C8 C 0.0227(6) 0.8556(3) 0.4638(2) 0.0294(12) Uani 1 1 d .
H8A H 0.1245 0.8422 0.4849 0.035 Uiso 1 1 calc R
C9 C -0.0246(6) 0.9235(3) 0.4441(3) 0.0308(13) Uani 1 1 d .
H9A H 0.0368 0.9680 0.4488 0.037 Uiso 1 1 calc R
C10 C -0.1798(6) 0.9201(3) 0.4198(3) 0.0281(12) Uani 1 1 d .
H10A H -0.2455 0.9625 0.4093 0.034 Uiso 1 1 calc R
C11 C 0.0691(5) 0.6793(2) 0.2653(2) 0.0163(9) Uani 1 1 d .
C12 C -0.0242(5) 0.6826(3) 0.2040(2) 0.0215(10) Uani 1 1 d .
H12A H -0.1187 0.7040 0.2021 0.026 Uiso 1 1 calc R
C13 C 0.0192(6) 0.6553(3) 0.1458(2) 0.0259(11) Uani 1 1 d .
H13A H -0.0459 0.6577 0.1047 0.031 Uiso 1 1 calc R
C14 C 0.1577(6) 0.6245(3) 0.1475(3) 0.0263(11) Uani 1 1 d .
H14A H 0.1873 0.6056 0.1078 0.032 Uiso 1 1 calc R
C15 C 0.2513(6) 0.6216(3) 0.2072(3) 0.0259(11) Uani 1 1 d .
H15A H 0.3464 0.6012 0.2084 0.031 Uiso 1 1 calc R
C16 C 0.2084(5) 0.6482(3) 0.2662(2) 0.0221(10) Uani 1 1 d .
H16A H 0.2741 0.6453 0.3071 0.027 Uiso 1 1 calc R
C17 C -0.1587(5) 0.6501(3) 0.3392(2) 0.0157(9) Uani 1 1 d .
C18 C -0.2842(5) 0.6685(2) 0.3682(2) 0.0194(10) Uani 1 1 d .
H18A H -0.2885 0.7139 0.3891 0.023 Uiso 1 1 calc R
C19 C -0.4021(5) 0.6214(3) 0.3670(2) 0.0209(10) Uani 1 1 d .
H19A H -0.4845 0.6344 0.3880 0.025 Uiso 1 1 calc R
C20 C -0.3994(5) 0.5562(3) 0.3356(2) 0.0235(11) Uani 1 1 d .
H20A H -0.4811 0.5247 0.3337 0.028 Uiso 1 1 calc R
C21 C -0.2770(6) 0.5367(3) 0.3066(3) 0.0254(11) Uani 1 1 d .
H21A H -0.2741 0.4913 0.2856 0.031 Uiso 1 1 calc R
C22 C -0.1594(5) 0.5830(3) 0.3083(2) 0.0215(10) Uani 1 1 d .
H22A H -0.0767 0.5690 0.2879 0.026 Uiso 1 1 calc R
C23 C 0.0368(5) 0.6140(3) 0.4826(2) 0.0224(11) Uani 1 1 d .
H23A H -0.0688 0.6191 0.4624 0.027 Uiso 1 1 calc R
C24 C 0.1221(6) 0.5735(3) 0.4435(3) 0.0240(11) Uani 1 1 d .
H24A H 0.0648 0.5552 0.4010 0.029 Uiso 1 1 calc R
C25 C 0.2540(6) 0.5277(3) 0.4695(3) 0.0328(13) Uani 1 1 d .
H25A H 0.3088 0.5163 0.4320 0.039 Uiso 1 1 calc R
H25B H 0.2193 0.4821 0.4867 0.039 Uiso 1 1 calc R
C26 C 0.3587(6) 0.5647(3) 0.5257(3) 0.0309(13) Uani 1 1 d .
H26A H 0.3240 0.5558 0.5693 0.037 Uiso 1 1 calc R
H26B H 0.4584 0.5438 0.5279 0.037 Uiso 1 1 calc R
C27 C 0.3666(5) 0.6443(3) 0.5142(2) 0.0237(11) Uani 1 1 d .
H27A H 0.4661 0.6621 0.5073 0.028 Uiso 1 1 calc R
C28 C 0.2818(5) 0.6938(3) 0.5431(2) 0.0227(11) Uani 1 1 d .
H28A H 0.3313 0.7410 0.5537 0.027 Uiso 1 1 calc R
C29 C 0.1692(6) 0.6746(3) 0.5875(3) 0.0291(12) Uani 1 1 d .
H29A H 0.1115 0.7180 0.5948 0.035 Uiso 1 1 calc R
H29B H 0.2212 0.6592 0.6316 0.035 Uiso 1 1 calc R
C30 C 0.0624(6) 0.6150(3) 0.5592(2) 0.0303(12) Uani 1 1 d .
H30A H 0.1027 0.5682 0.5759 0.036 Uiso 1 1 calc R
H30B H -0.0331 0.6219 0.5757 0.036 Uiso 1 1 calc R
C31 C -0.3871(5) 0.8283(3) 0.2374(3) 0.0293(12) Uani 1 1 d .
C32 C -0.4690(6) 0.7576(3) 0.2393(3) 0.0343(13) Uani 1 1 d .
H32A H -0.4926 0.7496 0.2846 0.051 Uiso 1 1 calc R
H32B H -0.4068 0.7185 0.2272 0.051 Uiso 1 1 calc R
H32C H -0.5602 0.7593 0.2074 0.051 Uiso 1 1 calc R
C33 C -0.3511(6) 0.8414(4) 0.1656(3) 0.0421(16) Uani 1 1 d .
H33A H -0.2987 0.8869 0.1643 0.063 Uiso 1 1 calc R
H33B H -0.4429 0.8431 0.1340 0.063 Uiso 1 1 calc R
H33C H -0.2891 0.8024 0.1531 0.063 Uiso 1 1 calc R
C34 C -0.4820(6) 0.8891(3) 0.2583(4) 0.0437(16) Uani 1 1 d .
H34A H -0.5039 0.8801 0.3037 0.066 Uiso 1 1 calc R
H34B H -0.5742 0.8917 0.2271 0.066 Uiso 1 1 calc R
H34C H -0.4287 0.9345 0.2575 0.066 Uiso 1 1 calc R
C1S C -0.5096(8) 0.9608(4) 0.5090(5) 0.068(2) Uani 1 1 d .
C2S C -0.4061(11) 0.9395(5) 0.5680(5) 0.085(3) Uani 1 1 d .
H2SA H -0.4208 0.9709 0.6060 0.102 Uiso 1 1 calc R
H2SB H -0.3044 0.9470 0.5585 0.102 Uiso 1 1 calc R
C3S C -0.4216(11) 0.8646(5) 0.5882(5) 0.095(3) Uani 1 1 d .
H3SA H -0.3479 0.8539 0.6271 0.142 Uiso 1 1 calc R
H3SB H -0.4069 0.8330 0.5510 0.142 Uiso 1 1 calc R
H3SC H -0.5205 0.8571 0.5999 0.142 Uiso 1 1 calc R
H1SA H -0.6080 0.9527 0.5186 0.080 Uiso 1 1 d .
H1SB H -0.4951 0.9307 0.4719 0.080 Uiso 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
Nb Nb -2.0727 0.6215 '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'
Cl Cl 0.1484 0.1585 '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
C24 Rh1 C23 38.79(19) . .
C24 Rh1 C28 97.50(19) . .
C23 Rh1 C28 81.65(18) . .
C24 Rh1 C27 81.30(19) . .
C23 Rh1 C27 89.30(18) . .
C28 Rh1 C27 36.89(18) . .
C24 Rh1 P1 94.92(14) . .
C23 Rh1 P1 93.28(13) . .
C28 Rh1 P1 152.75(13) . .
C27 Rh1 P1 170.35(14) . .
C24 Rh1 Cl1 149.93(15) . .
C23 Rh1 Cl1 168.88(14) . .
C28 Rh1 Cl1 89.02(14) . .
C27 Rh1 Cl1 86.80(14) . .
P1 Rh1 Cl1 92.27(4) . .
N1 Nb1 C10 97.68(19) . .
N1 Nb1 C5 86.16(18) . .
C10 Nb1 C5 103.81(18) . .
N1 Nb1 C1 86.53(18) . .
C10 Nb1 C1 136.91(17) . .
C5 Nb1 C1 33.40(17) . .
N1 Nb1 C6 85.60(18) . .
C10 Nb1 C6 33.04(17) . .
C5 Nb1 C6 133.55(17) . .
C1 Nb1 C6 165.42(17) . .
N1 Nb1 C2 116.90(18) . .
C10 Nb1 C2 135.25(18) . .
C5 Nb1 C2 55.00(17) . .
C1 Nb1 C2 33.16(17) . .
C6 Nb1 C2 157.46(17) . .
N1 Nb1 C4 116.52(18) . .
C10 Nb1 C4 85.82(18) . .
C5 Nb1 C4 33.36(18) . .
C1 Nb1 C4 55.01(17) . .
C6 Nb1 C4 118.68(17) . .
C2 Nb1 C4 54.39(17) . .
N1 Nb1 C7 108.05(18) . .
C10 Nb1 C7 54.44(17) . .
C5 Nb1 C7 154.57(18) . .
C1 Nb1 C7 161.32(18) . .
C6 Nb1 C7 32.77(16) . .
C2 Nb1 C7 128.59(17) . .
C4 Nb1 C7 123.46(18) . .
N1 Nb1 C3 138.82(17) . .
C10 Nb1 C3 102.68(18) . .
C5 Nb1 C3 54.47(17) . .
C1 Nb1 C3 54.47(17) . .
C6 Nb1 C3 128.86(17) . .
C2 Nb1 C3 32.63(16) . .
C4 Nb1 C3 32.32(16) . .
C7 Nb1 C3 112.94(17) . .
N1 Nb1 C9 130.62(18) . .
C10 Nb1 C9 32.96(18) . .
C5 Nb1 C9 101.72(19) . .
C1 Nb1 C9 125.52(17) . .
C6 Nb1 C9 53.75(17) . .
C2 Nb1 C9 106.75(17) . .
C4 Nb1 C9 71.59(18) . .
C7 Nb1 C9 52.97(17) . .
C3 Nb1 C9 75.26(17) . .
N1 Nb1 C8 138.59(18) . .
C10 Nb1 C8 53.50(18) . .
C5 Nb1 C8 125.96(18) . .
C1 Nb1 C8 134.84(18) . .
C6 Nb1 C8 53.74(17) . .
C2 Nb1 C8 103.78(17) . .
C4 Nb1 C8 92.68(18) . .
C7 Nb1 C8 32.59(17) . .
C3 Nb1 C8 81.12(17) . .
C9 Nb1 C8 30.72(17) . .
N1 Nb1 P1 94.10(13) . .
C10 Nb1 P1 129.70(13) . .
C5 Nb1 P1 125.72(13) . .
C1 Nb1 P1 92.36(12) . .
C6 Nb1 P1 100.43(12) . .
C2 Nb1 P1 77.74(12) . .
C4 Nb1 P1 130.57(13) . .
C7 Nb1 P1 75.39(12) . .
C3 Nb1 P1 99.60(12) . .
C9 Nb1 P1 117.55(13) . .
C8 Nb1 P1 86.91(13) . .
C11 P1 C17 97.6(2) . .
C11 P1 Rh1 110.97(15) . .
C17 P1 Rh1 112.01(14) . .
C11 P1 Nb1 111.43(15) . .
C17 P1 Nb1 108.91(15) . .
Rh1 P1 Nb1 114.63(5) . .
C31 N1 Nb1 166.3(4) . .
C2 C1 C5 107.7(5) . .
C2 C1 Nb1 74.2(3) . .
C5 C1 Nb1 73.0(3) . .
C2 C1 H1A 125.8 . .
C5 C1 H1A 125.8 . .
Nb1 C1 H1A 125.8 . .
C1 C2 C3 108.4(5) . .
C1 C2 Nb1 72.6(3) . .
C3 C2 Nb1 75.9(3) . .
C1 C2 H2A 125.4 . .
C3 C2 H2A 125.4 . .
Nb1 C2 H2A 125.4 . .
C4 C3 C2 108.0(5) . .
C4 C3 Nb1 72.3(3) . .
C2 C3 Nb1 71.4(3) . .
C4 C3 H3A 125.9 . .
C2 C3 H3A 125.9 . .
Nb1 C3 H3A 125.9 . .
C3 C4 C5 108.0(5) . .
C3 C4 Nb1 75.4(3) . .
C5 C4 Nb1 71.5(3) . .
C3 C4 H4A 125.7 . .
C5 C4 H4A 125.7 . .
Nb1 C4 H4A 125.7 . .
C1 C5 C4 107.9(5) . .
C1 C5 Nb1 73.6(3) . .
C4 C5 Nb1 75.1(3) . .
C1 C5 H5A 125.6 . .
C4 C5 H5A 125.6 . .
Nb1 C5 H5A 125.6 . .
C10 C6 C7 107.8(5) . .
C10 C6 Nb1 72.3(3) . .
C7 C6 Nb1 74.9(3) . .
C10 C6 H6A 125.8 . .
C7 C6 H6A 125.8 . .
Nb1 C6 H6A 125.8 . .
C6 C7 C8 108.0(5) . .
C6 C7 Nb1 72.3(3) . .
C8 C7 Nb1 77.6(3) . .
C6 C7 H7A 125.5 . .
C8 C7 H7A 125.5 . .
Nb1 C7 H7A 125.5 . .
C9 C8 C7 107.8(5) . .
C9 C8 Nb1 74.0(3) . .
C7 C8 Nb1 69.8(3) . .
C9 C8 H8A 126.0 . .
C7 C8 H8A 126.0 . .
Nb1 C8 H8A 126.0 . .
C8 C9 C10 108.1(5) . .
C8 C9 Nb1 75.2(3) . .
C10 C9 Nb1 67.7(3) . .
C8 C9 H9A 125.9 . .
C10 C9 H9A 125.9 . .
Nb1 C9 H9A 125.9 . .
C6 C10 C9 108.0(5) . .
C6 C10 Nb1 74.7(3) . .
C9 C10 Nb1 79.3(3) . .
C6 C10 H10A 125.0 . .
C9 C10 H10A 125.0 . .
Nb1 C10 H10A 125.0 . .
C16 C11 C12 118.0(4) . .
C16 C11 P1 120.7(3) . .
C12 C11 P1 121.1(3) . .
C13 C12 C11 121.0(5) . .
C13 C12 H12A 119.5 . .
C11 C12 H12A 119.5 . .
C12 C13 C14 120.2(5) . .
C12 C13 H13A 119.9 . .
C14 C13 H13A 119.9 . .
C15 C14 C13 119.4(5) . .
C15 C14 H14A 120.3 . .
C13 C14 H14A 120.3 . .
C14 C15 C16 120.9(5) . .
C14 C15 H15A 119.5 . .
C16 C15 H15A 119.5 . .
C15 C16 C11 120.4(4) . .
C15 C16 H16A 119.8 . .
C11 C16 H16A 119.8 . .
C22 C17 C18 116.9(4) . .
C22 C17 P1 120.2(3) . .
C18 C17 P1 122.9(4) . .
C19 C18 C17 121.2(4) . .
C19 C18 H18A 119.4 . .
C17 C18 H18A 119.4 . .
C20 C19 C18 120.2(5) . .
C20 C19 H19A 119.9 . .
C18 C19 H19A 119.9 . .
C19 C20 C21 119.8(5) . .
C19 C20 H20A 120.1 . .
C21 C20 H20A 120.1 . .
C22 C21 C20 120.1(5) . .
C22 C21 H21A 119.9 . .
C20 C21 H21A 119.9 . .
C21 C22 C17 121.8(5) . .
C21 C22 H22A 119.1 . .
C17 C22 H22A 119.1 . .
C24 C23 C30 123.7(4) . .
C24 C23 Rh1 69.3(3) . .
C30 C23 Rh1 113.6(3) . .
C24 C23 H23A 114.1 . .
C30 C23 H23A 114.1 . .
Rh1 C23 H23A 114.1 . .
C23 C24 C25 126.3(5) . .
C23 C24 Rh1 71.9(3) . .
C25 C24 Rh1 110.5(4) . .
C23 C24 H24A 113.5 . .
C25 C24 H24A 113.5 . .
Rh1 C24 H24A 113.5 . .
C24 C25 C26 112.6(4) . .
C24 C25 H25A 109.1 . .
C26 C25 H25A 109.1 . .
C24 C25 H25B 109.1 . .
C26 C25 H25B 109.1 . .
H25A C25 H25B 107.8 . .
C27 C26 C25 111.6(4) . .
C27 C26 H26A 109.3 . .
C25 C26 H26A 109.3 . .
C27 C26 H26B 109.3 . .
C25 C26 H26B 109.3 . .
H26A C26 H26B 108.0 . .
C28 C27 C26 123.4(5) . .
C28 C27 Rh1 70.5(3) . .
C26 C27 Rh1 111.5(3) . .
C28 C27 H27A 114.5 . .
C26 C27 H27A 114.5 . .
Rh1 C27 H27A 114.5 . .
C27 C28 C29 124.3(5) . .
C27 C28 Rh1 72.6(3) . .
C29 C28 Rh1 109.2(3) . .
C27 C28 H28A 114.3 . .
C29 C28 H28A 114.3 . .
Rh1 C28 H28A 114.3 . .
C28 C29 C30 114.0(4) . .
C28 C29 H29A 108.7 . .
C30 C29 H29A 108.7 . .
C28 C29 H29B 108.7 . .
C30 C29 H29B 108.7 . .
H29A C29 H29B 107.6 . .
C23 C30 C29 112.4(4) . .
C23 C30 H30A 109.1 . .
C29 C30 H30A 109.1 . .
C23 C30 H30B 109.1 . .
C29 C30 H30B 109.1 . .
H30A C30 H30B 107.9 . .
N1 C31 C32 110.0(4) . .
N1 C31 C34 107.1(5) . .
C32 C31 C34 109.5(5) . .
N1 C31 C33 110.3(4) . .
C32 C31 C33 109.5(5) . .
C34 C31 C33 110.3(5) . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C31 C33 H33A 109.5 . .
C31 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C31 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
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 . .
C2S C1S C1S 111.7(10) . 3_476
C2S C1S H1SA 108.2 . .
C1S C1S H1SA 110.0 3_476 .
C2S C1S H1SB 109.1 . .
C1S C1S H1SB 110.0 3_476 .
H1SA C1S H1SB 107.7 . .
C1S C2S C3S 113.9(9) . .
C1S C2S H2SA 108.8 . .
C3S C2S H2SA 108.8 . .
C1S C2S H2SB 108.8 . .
C3S C2S H2SB 108.8 . .
H2SA C2S H2SB 107.7 . .
C2S C3S H3SA 109.5 . .
C2S C3S H3SB 109.5 . .
H3SA C3S H3SB 109.5 . .
C2S C3S H3SC 109.5 . .
H3SA C3S H3SC 109.5 . .
H3SB C3S H3SC 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C24 2.102(5) .
Rh1 C23 2.137(5) .
Rh1 C28 2.183(5) .
Rh1 C27 2.209(5) .
Rh1 P1 2.3790(12) .
Rh1 Cl1 2.3968(13) .
Nb1 N1 1.776(4) .
Nb1 C10 2.447(5) .
Nb1 C5 2.454(5) .
Nb1 C1 2.463(5) .
Nb1 C6 2.478(5) .
Nb1 C2 2.484(5) .
Nb1 C4 2.501(5) .
Nb1 C7 2.512(5) .
Nb1 C3 2.541(5) .
Nb1 C9 2.599(5) .
Nb1 C8 2.614(5) .
Nb1 P1 2.6854(13) .
P1 C11 1.848(5) .
P1 C17 1.859(5) .
N1 C31 1.461(6) .
C1 C2 1.412(7) .
C1 C5 1.413(7) .
C1 H1A 1.0000 .
C2 C3 1.413(7) .
C2 H2A 1.0000 .
C3 C4 1.404(7) .
C3 H3A 1.0000 .
C4 C5 1.423(8) .
C4 H4A 1.0000 .
C5 H5A 1.0000 .
C6 C10 1.401(7) .
C6 C7 1.408(7) .
C6 H6A 1.0000 .
C7 C8 1.442(8) .
C7 H7A 1.0000 .
C8 C9 1.381(8) .
C8 H8A 1.0000 .
C9 C10 1.439(8) .
C9 H9A 1.0000 .
C10 H10A 1.0000 .
C11 C16 1.401(6) .
C11 C12 1.401(6) .
C12 C13 1.390(7) .
C12 H12A 0.9500 .
C13 C14 1.391(7) .
C13 H13A 0.9500 .
C14 C15 1.375(7) .
C14 H14A 0.9500 .
C15 C16 1.397(7) .
C15 H15A 0.9500 .
C16 H16A 0.9500 .
C17 C22 1.400(7) .
C17 C18 1.408(6) .
C18 C19 1.392(7) .
C18 H18A 0.9500 .
C19 C20 1.375(7) .
C19 H19A 0.9500 .
C20 C21 1.388(7) .
C20 H20A 0.9500 .
C21 C22 1.380(7) .
C21 H21A 0.9500 .
C22 H22A 0.9500 .
C23 C24 1.408(7) .
C23 C30 1.528(7) .
C23 H23A 1.0000 .
C24 C25 1.512(7) .
C24 H24A 1.0000 .
C25 C26 1.539(7) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 C27 1.509(7) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 C28 1.390(7) .
C27 H27A 1.0000 .
C28 C29 1.505(7) .
C28 H28A 1.0000 .
C29 C30 1.538(7) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 C32 1.523(8) .
C31 C34 1.529(8) .
C31 C33 1.549(8) .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C1S C2S 1.466(12) .
C1S C1S 1.527(17) 3_476
C1S H1SA 0.9616 .
C1S H1SB 0.9618 .
C2S C3S 1.469(12) .
C2S H2SA 0.9900 .
C2S H2SB 0.9900 .
C3S H3SA 0.9800 .
C3S H3SB 0.9800 .
C3S H3SC 0.9800 .
