#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/53/4325364.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_4325364
loop_
_publ_author_name
'Lindsay J. Hounjet'
'Robert McDonald'
'Michael J. Ferguson'
'Martin Cowie'
_publ_section_title
;
 Comparison of Structure and Reactivity of Phosphine-Amido and Hemilabile
 Phosphine-Amine Chelates of Rhodium
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5361
_journal_page_last               5378
_journal_paper_doi               10.1021/ic101883u
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C45 H41 n O2 P3 Rh, 2.5(C6 H6)'
_chemical_formula_sum            'C60 H56 O2 P3 Rh n'
_chemical_formula_weight         1018.88
_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                 97.0481(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.6143(11)
_cell_length_b                   25.953(3)
_cell_length_c                   18.329(2)
_cell_measurement_reflns_used    9903
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      2.25
_cell_volume                     5011.0(10)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω 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  0.0255
_diffrn_reflns_av_sigmaI/netI    0.0208
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            43868
_diffrn_reflns_theta_full        27.54
_diffrn_reflns_theta_max         27.54
_diffrn_reflns_theta_min         1.37
_exptl_absorpt_coefficient_mu    0.481
_exptl_absorpt_correction_T_max  0.9235
_exptl_absorpt_correction_T_min  0.8375
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.351
_exptl_crystal_description       prism
_exptl_crystal_F_000             2116
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.076
_refine_diff_density_min         -0.772
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.126
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     570
_refine_ls_number_reflns         11523
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.126
_refine_ls_R_factor_all          0.0502
_refine_ls_R_factor_gt           0.0432
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0413P)²+9.3155P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1122
_refine_ls_wR_factor_ref         0.1159
_reflns_number_gt                10092
_reflns_number_total             11523
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic101883u_si_001_4.cif
_cod_data_source_block           compound4
_cod_original_cell_volume        5011.0(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C60 H56 n O2 P3 Rh'
_cod_database_code               4325364
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh Rh 0.188513(18) 0.218953(9) 0.186748(11) 0.02340(7) Uani 1 1 d . . .
P1 P 0.03622(6) 0.26594(3) 0.11436(4) 0.02440(15) Uani 1 1 d . . .
P2 P 0.06044(7) 0.17024(3) 0.25237(4) 0.02595(15) Uani 1 1 d . . .
P3 P 0.20601(6) 0.27272(3) 0.28664(4) 0.02461(15) Uani 1 1 d . . .
O1 O 0.36751(19) 0.19126(9) 0.20826(13) 0.0377(5) Uani 1 1 d . . .
O2 O 0.36728(19) 0.23602(10) 0.16179(12) 0.0375(5) Uani 1 1 d . . .
N n 0.1622(2) 0.16944(10) 0.09568(13) 0.0305(5) Uani 1 1 d . . .
C1 C 0.0593(3) 0.20203(12) 0.34211(15) 0.0303(6) Uani 1 1 d . . .
H1A H -0.0190 0.1926 0.3633 0.036 Uiso 1 1 calc R . .
H1B H 0.1331 0.1903 0.3764 0.036 Uiso 1 1 calc R . .
C2 C 0.0653(3) 0.26044(12) 0.33244(15) 0.0279(6) Uani 1 1 d . . .
H2A H 0.0726 0.2779 0.3808 0.033 Uiso 1 1 calc R . .
H2B H -0.0121 0.2731 0.3020 0.033 Uiso 1 1 calc R . .
C10 C 0.2419(3) 0.12424(14) 0.0920(2) 0.0417(8) Uani 1 1 d . . .
H10A H 0.1946 0.0934 0.1032 0.050 Uiso 1 1 calc R . .
H10B H 0.3180 0.1276 0.1278 0.050 Uiso 1 1 calc R . .
H10C H 0.2668 0.1212 0.0424 0.050 Uiso 1 1 calc R . .
C11 C -0.0148(3) 0.22052(12) 0.04289(15) 0.0271(6) Uani 1 1 d . . .
C12 C 0.0617(3) 0.17529(12) 0.04359(15) 0.0277(6) Uani 1 1 d . . .
C13 C 0.0240(3) 0.13798(13) -0.01230(17) 0.0350(7) Uani 1 1 d . . .
H13 H 0.0728 0.1075 -0.0151 0.042 Uiso 1 1 calc R . .
C14 C -0.0824(3) 0.14577(14) -0.06214(17) 0.0387(8) Uani 1 1 d . . .
H14 H -0.1078 0.1195 -0.0969 0.046 Uiso 1 1 calc R . .
C15 C -0.1535(3) 0.19037(15) -0.06335(17) 0.0394(8) Uani 1 1 d . . .
H15 H -0.2249 0.1953 -0.0993 0.047 Uiso 1 1 calc R . .
C16 C -0.1182(3) 0.22789(13) -0.01088(16) 0.0333(7) Uani 1 1 d . . .
H16 H -0.1652 0.2591 -0.0116 0.040 Uiso 1 1 calc R . .
C21 C -0.1053(3) 0.29328(12) 0.14720(15) 0.0278(6) Uani 1 1 d . . .
C22 C -0.2201(3) 0.26665(13) 0.14071(16) 0.0302(6) Uani 1 1 d . . .
H22 H -0.2267 0.2341 0.1167 0.036 Uiso 1 1 calc R . .
C23 C -0.3253(3) 0.28716(14) 0.16899(19) 0.0390(7) Uani 1 1 d . . .
H23 H -0.4036 0.2690 0.1632 0.047 Uiso 1 1 calc R . .
C24 C -0.3158(3) 0.33383(15) 0.2054(2) 0.0449(8) Uani 1 1 d . . .
H24 H -0.3871 0.3476 0.2253 0.054 Uiso 1 1 calc R . .
C25 C -0.2012(3) 0.36048(15) 0.2128(2) 0.0446(8) Uani 1 1 d . . .
H25 H -0.1941 0.3925 0.2382 0.054 Uiso 1 1 calc R . .
C26 C -0.0976(3) 0.34045(13) 0.18335(17) 0.0353(7) Uani 1 1 d . . .
H26 H -0.0202 0.3592 0.1879 0.042 Uiso 1 1 calc R . .
C31 C 0.0990(3) 0.31976(13) 0.06495(16) 0.0319(6) Uani 1 1 d . . .
C32 C 0.2239(3) 0.31650(15) 0.04995(18) 0.0414(8) Uani 1 1 d . . .
H32 H 0.2751 0.2882 0.0683 0.050 Uiso 1 1 calc R . .
C33 C 0.2747(4) 0.35435(18) 0.0083(2) 0.0551(11) Uani 1 1 d . . .
H33 H 0.3596 0.3515 -0.0026 0.066 Uiso 1 1 calc R . .
C34 C 0.2013(5) 0.39588(18) -0.0170(2) 0.0611(12) Uani 1 1 d . . .
H34 H 0.2367 0.4224 -0.0439 0.073 Uiso 1 1 calc R . .
C35 C 0.0771(5) 0.39920(18) -0.0036(2) 0.0636(12) Uani 1 1 d . . .
H35 H 0.0266 0.4277 -0.0220 0.076 Uiso 1 1 calc R . .
C36 C 0.0248(4) 0.36092(16) 0.0370(2) 0.0501(9) Uani 1 1 d . . .
H36 H -0.0615 0.3631 0.0454 0.060 Uiso 1 1 calc R . .
C41 C -0.1049(3) 0.15664(12) 0.21787(16) 0.0296(6) Uani 1 1 d . . .
C42 C -0.2065(3) 0.17191(13) 0.25430(19) 0.0377(7) Uani 1 1 d . . .
H42 H -0.1913 0.1890 0.3004 0.045 Uiso 1 1 calc R . .
C43 C -0.3307(3) 0.16195(15) 0.2229(2) 0.0470(9) Uani 1 1 d . . .
H43 H -0.3998 0.1720 0.2481 0.056 Uiso 1 1 calc R . .
C44 C -0.3538(3) 0.13767(15) 0.1558(2) 0.0494(9) Uani 1 1 d . . .
H44 H -0.4386 0.1316 0.1344 0.059 Uiso 1 1 calc R . .
C45 C -0.2529(3) 0.12197(14) 0.1195(2) 0.0442(8) Uani 1 1 d . . .
H45 H -0.2687 0.1052 0.0731 0.053 Uiso 1 1 calc R . .
C46 C -0.1295(3) 0.13076(13) 0.15090(18) 0.0348(7) Uani 1 1 d . . .
H46 H -0.0607 0.1191 0.1266 0.042 Uiso 1 1 calc R . .
C51 C 0.1248(3) 0.10635(13) 0.27736(17) 0.0371(7) Uani 1 1 d . . .
C52 C 0.2557(4) 0.10020(18) 0.2898(2) 0.0541(10) Uani 1 1 d . . .
H52 H 0.3101 0.1282 0.2820 0.065 Uiso 1 1 calc R . .
C53 C 0.3069(5) 0.0528(2) 0.3136(2) 0.0736(16) Uani 1 1 d . . .
H53 H 0.3964 0.0488 0.3228 0.088 Uiso 1 1 calc R . .
C54 C 0.2293(7) 0.0121(2) 0.3239(3) 0.0818(19) Uani 1 1 d . . .
H54 H 0.2651 -0.0202 0.3395 0.098 Uiso 1 1 calc R . .
C55 C 0.1014(7) 0.01770(18) 0.3119(3) 0.0815(17) Uani 1 1 d . . .
H55 H 0.0480 -0.0107 0.3196 0.098 Uiso 1 1 calc R . .
C56 C 0.0475(5) 0.06470(15) 0.2886(2) 0.0562(10) Uani 1 1 d . . .
H56 H -0.0422 0.0683 0.2803 0.067 Uiso 1 1 calc R . .
C61 C 0.3368(3) 0.26497(11) 0.36052(15) 0.0268(6) Uani 1 1 d . . .
C62 C 0.4538(3) 0.24807(16) 0.3450(2) 0.0488(10) Uani 1 1 d . . .
H62 H 0.4653 0.2387 0.2961 0.059 Uiso 1 1 calc R . .
C63 C 0.5544(4) 0.2448(2) 0.4004(3) 0.0669(14) Uani 1 1 d . . .
H63 H 0.6350 0.2335 0.3893 0.080 Uiso 1 1 calc R . .
C64 C 0.5389(3) 0.25774(17) 0.4719(2) 0.0513(9) Uani 1 1 d . . .
H64 H 0.6078 0.2542 0.5099 0.062 Uiso 1 1 calc R . .
C65 C 0.4249(3) 0.27559(16) 0.48768(18) 0.0456(9) Uani 1 1 d . . .
H65 H 0.4147 0.2857 0.5364 0.055 Uiso 1 1 calc R . .
C66 C 0.3233(3) 0.27900(16) 0.43231(18) 0.0456(9) Uani 1 1 d . . .
H66 H 0.2436 0.2911 0.4437 0.055 Uiso 1 1 calc R . .
C71 C 0.2152(3) 0.34127(12) 0.26945(16) 0.0323(6) Uani 1 1 d . . .
C72 C 0.2973(4) 0.35784(14) 0.22083(19) 0.0426(8) Uani 1 1 d . . .
H72 H 0.3448 0.3334 0.1969 0.051 Uiso 1 1 calc R . .
C73 C 0.3099(5) 0.41035(17) 0.2071(2) 0.0642(12) Uani 1 1 d . . .
H73 H 0.3662 0.4217 0.1739 0.077 Uiso 1 1 calc R . .
C74 C 0.2410(6) 0.44562(17) 0.2416(3) 0.0769(16) Uani 1 1 d . . .
H74 H 0.2488 0.4813 0.2318 0.092 Uiso 1 1 calc R . .
C75 C 0.1604(6) 0.42924(17) 0.2906(3) 0.0724(15) Uani 1 1 d . . .
H75 H 0.1133 0.4538 0.3145 0.087 Uiso 1 1 calc R . .
C76 C 0.1481(4) 0.37752(15) 0.30483(19) 0.0477(9) Uani 1 1 d . . .
H76 H 0.0932 0.3666 0.3391 0.057 Uiso 1 1 calc R . .
C11S C 0.6082(5) 0.4577(2) 0.3344(3) 0.0742(14) Uani 1 1 d . . .
H11S H 0.6699 0.4597 0.3011 0.089 Uiso 1 1 calc R . .
C12S C 0.5434(6) 0.4997(2) 0.3494(3) 0.0824(16) Uani 1 1 d . . .
H12S H 0.5597 0.5317 0.3273 0.099 Uiso 1 1 calc R . .
C13S C 0.4552(8) 0.4966(3) 0.3957(5) 0.129(3) Uani 1 1 d . . .
H13S H 0.4093 0.5265 0.4066 0.155 Uiso 1 1 calc R . .
C14S C 0.4314(8) 0.4503(3) 0.4274(5) 0.139(4) Uani 1 1 d . . .
H14S H 0.3681 0.4482 0.4597 0.167 Uiso 1 1 calc R . .
C15S C 0.4965(6) 0.4083(2) 0.4130(4) 0.0862(17) Uani 1 1 d . . .
H15S H 0.4803 0.3763 0.4350 0.103 Uiso 1 1 calc R . .
C16S C 0.5861(6) 0.4121(2) 0.3667(3) 0.0833(18) Uani 1 1 d . . .
H16S H 0.6339 0.3825 0.3568 0.100 Uiso 1 1 calc R . .
C21S C 0.1281(4) -0.01036(16) 0.0189(3) 0.0593(11) Uani 1 1 d . . .
H21S H 0.2159 -0.0174 0.0319 0.071 Uiso 1 1 calc R . .
C22S C 0.0507(5) -0.00051(16) 0.0726(2) 0.0593(11) Uani 1 1 d . . .
H22S H 0.0852 -0.0009 0.1229 0.071 Uiso 1 1 calc R . .
C23S C -0.0765(5) 0.00988(16) 0.0534(3) 0.0601(11) Uani 1 1 d . . .
H23S H -0.1289 0.0168 0.0907 0.072 Uiso 1 1 calc R . .
C31S C 0.6295(10) 0.1176(4) 0.4742(6) 0.0767(10) Uiso 0.33333 1 d PG A -1
H31S H 0.5887 0.1463 0.4932 0.092 Uiso 0.33333 1 calc PR A -1
C32S C 0.7047(11) 0.0850(4) 0.5215(4) 0.0767(10) Uiso 0.33333 1 d PG A -1
H32S H 0.7153 0.0915 0.5729 0.092 Uiso 0.33333 1 calc PR A -1
C33S C 0.7644(10) 0.0430(4) 0.4936(5) 0.0767(10) Uiso 0.33333 1 d PG A -1
H33S H 0.8158 0.0208 0.5259 0.092 Uiso 0.33333 1 calc PR A -1
C34S C 0.7490(10) 0.0335(4) 0.4184(6) 0.0767(10) Uiso 0.33333 1 d PG A -1
H34S H 0.7898 0.0048 0.3993 0.092 Uiso 0.33333 1 calc PR A -1
C35S C 0.6738(10) 0.0660(4) 0.3711(4) 0.0767(10) Uiso 0.33333 1 d PG A -1
H35S H 0.6632 0.0596 0.3197 0.092 Uiso 0.33333 1 calc PR A -1
C36S C 0.6140(10) 0.1081(4) 0.3990(5) 0.0767(10) Uiso 0.33333 1 d PG A -1
H36S H 0.5626 0.1303 0.3666 0.092 Uiso 0.33333 1 calc PR A -1
C41S C 0.6708(11) 0.1079(3) 0.5097(6) 0.0767(10) Uiso 0.33333 1 d PG B -2
H41S H 0.6962 0.1415 0.5262 0.092 Uiso 0.33333 1 calc PR B -2
C42S C 0.5742(11) 0.0826(4) 0.5401(6) 0.0767(10) Uiso 0.33333 1 d PG B -2
H42S H 0.5337 0.0989 0.5774 0.092 Uiso 0.33333 1 calc PR B -2
C43S C 0.5370(10) 0.0335(4) 0.5161(7) 0.0767(10) Uiso 0.33333 1 d PG B -2
H43S H 0.4710 0.0163 0.5369 0.092 Uiso 0.33333 1 calc PR B -2
C44S C 0.5964(11) 0.0097(3) 0.4616(7) 0.0767(10) Uiso 0.33333 1 d PG B -2
H44S H 0.5710 -0.0239 0.4451 0.092 Uiso 0.33333 1 calc PR B -2
C45S C 0.6930(10) 0.0350(4) 0.4312(6) 0.0767(10) Uiso 0.33333 1 d PG B -2
H45S H 0.7335 0.0187 0.3939 0.092 Uiso 0.33333 1 calc PR B -2
C46S C 0.7302(9) 0.0841(4) 0.4552(6) 0.0767(10) Uiso 0.33333 1 d PG B -2
H46S H 0.7962 0.1013 0.4344 0.092 Uiso 0.33333 1 calc PR B -2
C51S C 0.6275(11) 0.1109(3) 0.5011(6) 0.0767(10) Uiso 0.33333 1 d PG C -3
H51S H 0.6225 0.1430 0.5255 0.092 Uiso 0.33333 1 calc PR C -3
C52S C 0.5768(11) 0.0668(4) 0.5293(5) 0.0767(10) Uiso 0.33333 1 d PG C -3
H52S H 0.5372 0.0688 0.5730 0.092 Uiso 0.33333 1 calc PR C -3
C53S C 0.5841(11) 0.0199(3) 0.4936(6) 0.0767(10) Uiso 0.33333 1 d PG C -3
H53S H 0.5495 -0.0103 0.5129 0.092 Uiso 0.33333 1 calc PR C -3
C54S C 0.6421(12) 0.0170(3) 0.4298(6) 0.0767(10) Uiso 0.33333 1 d PG C -3
H54S H 0.6472 -0.0151 0.4054 0.092 Uiso 0.33333 1 calc PR C -3
C55S C 0.6928(10) 0.0610(4) 0.4016(5) 0.0767(10) Uiso 0.33333 1 d PG C -3
H55S H 0.7325 0.0590 0.3579 0.092 Uiso 0.33333 1 calc PR C -3
C56S C 0.6855(10) 0.1080(3) 0.4373(6) 0.0767(10) Uiso 0.33333 1 d PG C -3
H56S H 0.7201 0.1381 0.4180 0.092 Uiso 0.33333 1 calc PR C -3
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'
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
O1 Rh O2 41.35(10) .
O1 Rh n 88.13(9) .
O2 Rh n 89.49(9) .
O1 Rh P3 94.50(7) .
O2 Rh P3 93.45(7) .
N Rh P3 176.99(7) .
O1 Rh P2 107.68(8) .
O2 Rh P2 148.88(7) .
N Rh P2 92.87(7) .
P3 Rh P2 84.96(3) .
O1 Rh P1 150.85(7) .
O2 Rh P1 111.03(7) .
N Rh P1 81.44(7) .
P3 Rh P1 96.88(3) .
P2 Rh P1 100.00(3) .
C11 P1 C21 107.99(13) .
C11 P1 C31 103.59(13) .
C21 P1 C31 103.28(14) .
C11 P1 Rh 101.50(10) .
C21 P1 Rh 124.13(9) .
C31 P1 Rh 114.51(10) .
C41 P2 C51 103.00(15) .
C41 P2 C1 106.55(14) .
C51 P2 C1 103.03(14) .
C41 P2 Rh 121.99(10) .
C51 P2 Rh 113.73(11) .
C1 P2 Rh 106.84(10) .
C71 P3 C61 100.64(13) .
C71 P3 C2 108.40(14) .
C61 P3 C2 103.28(13) .
C71 P3 Rh 117.38(10) .
C61 P3 Rh 120.32(10) .
C2 P3 Rh 105.66(10) .
O2 O1 Rh 70.43(12) .
O1 O2 Rh 68.22(11) .
C12 n C10 118.1(3) .
C12 n Rh 120.7(2) .
C10 n Rh 120.7(2) .
C2 C1 P2 109.63(19) .
C1 C2 P3 105.88(19) .
C16 C11 C12 121.1(3) .
C16 C11 P1 124.4(2) .
C12 C11 P1 114.4(2) .
N C12 C11 119.9(3) .
N C12 C13 123.9(3) .
C11 C12 C13 116.2(3) .
C14 C13 C12 120.7(3) .
C13 C14 C15 122.4(3) .
C14 C15 C16 118.5(3) .
C15 C16 C11 121.0(3) .
C26 C21 C22 118.5(3) .
C26 C21 P1 119.8(2) .
C22 C21 P1 121.6(2) .
C23 C22 C21 120.7(3) .
C24 C23 C22 120.1(3) .
C23 C24 C25 119.6(3) .
C26 C25 C24 120.1(3) .
C25 C26 C21 120.9(3) .
C36 C31 C32 119.0(3) .
C36 C31 P1 123.0(3) .
C32 C31 P1 117.7(3) .
C31 C32 C33 120.5(4) .
C34 C33 C32 119.8(4) .
C35 C34 C33 120.3(4) .
C34 C35 C36 120.3(4) .
C31 C36 C35 120.0(4) .
C42 C41 C46 119.1(3) .
C42 C41 P2 123.1(2) .
C46 C41 P2 117.8(2) .
C41 C42 C43 119.8(3) .
C44 C43 C42 120.6(3) .
C43 C44 C45 120.0(3) .
C46 C45 C44 119.8(3) .
C45 C46 C41 120.7(3) .
C56 C51 C52 118.9(4) .
C56 C51 P2 122.2(3) .
C52 C51 P2 118.7(3) .
C51 C52 C53 119.8(5) .
C54 C53 C52 120.5(5) .
C55 C54 C53 120.2(4) .
C54 C55 C56 120.6(5) .
C51 C56 C55 120.0(5) .
C62 C61 C66 118.6(3) .
C62 C61 P3 120.2(2) .
C66 C61 P3 121.1(2) .
C61 C62 C63 120.1(3) .
C64 C63 C62 120.7(4) .
C65 C64 C63 119.8(3) .
C64 C65 C66 119.8(3) .
C61 C66 C65 121.0(3) .
C72 C71 C76 119.2(3) .
C72 C71 P3 117.9(3) .
C76 C71 P3 122.8(3) .
C71 C72 C73 120.0(4) .
C74 C73 C72 120.0(4) .
C73 C74 C75 120.1(4) .
C76 C75 C74 120.3(4) .
C75 C76 C71 120.4(4) .
C12S C11S C16S 120.1(5) .
C11S C12S C13S 119.8(5) .
C12S C13S C14S 120.0(6) .
C15S C14S C13S 120.3(6) .
C14S C15S C16S 119.1(5) .
C15S C16S C11S 120.6(5) .
C23S C21S C22S 119.0(4) 3
C23S C22S C21S 120.3(4) .
C21S C23S C22S 120.7(4) 3
C32S C31S C36S 120.0 .
C31S C32S C33S 120.0 .
C32S C33S C34S 120.0 .
C35S C34S C33S 120.0 .
C34S C35S C36S 120.0 .
C35S C36S C31S 120.0 .
C42S C41S C46S 120.0 .
C43S C42S C41S 120.0 .
C42S C43S C44S 120.0 .
C45S C44S C43S 120.0 .
C46S C45S C44S 120.0 .
C45S C46S C41S 120.0 .
C52S C51S C56S 120.0 .
C51S C52S C53S 120.0 .
C52S C53S C54S 120.0 .
C55S C54S C53S 120.0 .
C54S C55S C56S 120.0 .
C55S C56S C51S 120.0 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh O1 2.024(2) .
Rh O2 2.054(2) .
Rh n 2.098(2) .
Rh P3 2.2914(7) .
Rh P2 2.3009(8) .
Rh P1 2.3096(7) .
P1 C11 1.796(3) .
P1 C21 1.828(3) .
P1 C31 1.834(3) .
P2 C41 1.825(3) .
P2 C51 1.830(3) .
P2 C1 1.841(3) .
P3 C71 1.811(3) .
P3 C61 1.827(3) .
P3 C2 1.829(3) .
O1 O2 1.440(3) .
N C12 1.350(4) .
N C10 1.452(4) .
C1 C2 1.528(4) .
C11 C16 1.396(4) .
C11 C12 1.427(4) .
C12 C13 1.431(4) .
C13 C14 1.377(5) .
C14 C15 1.381(5) .
C15 C16 1.387(5) .
C21 C26 1.390(4) .
C21 C22 1.393(4) .
C22 C23 1.393(4) .
C23 C24 1.381(5) .
C24 C25 1.391(5) .
C25 C26 1.385(5) .
C31 C36 1.387(5) .
C31 C32 1.390(4) .
C32 C33 1.393(5) .
C33 C34 1.377(7) .
C34 C35 1.373(7) .
C35 C36 1.396(5) .
C41 C42 1.394(4) .
C41 C46 1.396(4) .
C42 C43 1.396(5) .
C43 C44 1.376(6) .
C44 C45 1.390(5) .
C45 C46 1.384(4) .
C51 C56 1.388(5) .
C51 C52 1.389(5) .
C52 C53 1.393(6) .
C53 C54 1.367(8) .
C54 C55 1.357(8) .
C55 C56 1.392(6) .
C61 C62 1.380(4) .
C61 C66 1.389(4) .
C62 C63 1.384(5) .
C63 C64 1.381(6) .
C64 C65 1.360(6) .
C65 C66 1.390(5) .
C71 C72 1.388(5) .
C71 C76 1.388(5) .
C72 C73 1.395(5) .
C73 C74 1.373(7) .
C74 C75 1.381(7) .
C75 C76 1.377(6) .
C11S C12S 1.336(8) .
C11S C16S 1.357(8) .
C12S C13S 1.341(8) .
C13S C14S 1.370(9) .
C14S C15S 1.334(9) .
C15S C16S 1.353(8) .
C21S C23S 1.370(7) 3
C21S C22S 1.381(6) .
C22S C23S 1.379(7) .
C23S C21S 1.370(7) 3
C31S C32S 1.3900 .
C31S C36S 1.3900 .
C32S C33S 1.3900 .
C33S C34S 1.3900 .
C34S C35S 1.3900 .
C35S C36S 1.3900 .
C41S C42S 1.3900 .
C41S C46S 1.3900 .
C42S C43S 1.3900 .
C43S C44S 1.3900 .
C44S C45S 1.3900 .
C45S C46S 1.3900 .
C51S C52S 1.3900 .
C51S C56S 1.3900 .
C52S C53S 1.3900 .
C53S C54S 1.3900 .
C54S C55S 1.3900 .
C55S C56S 1.3900 .
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
O1 Rh P1 C11 81.13(17) . .
O2 Rh P1 C11 97.00(11) . .
N Rh P1 C11 10.87(11) . .
P3 Rh P1 C11 -166.61(9) . .
P2 Rh P1 C11 -80.55(9) . .
O1 Rh P1 C21 -157.63(18) . .
O2 Rh P1 C21 -141.76(14) . .
N Rh P1 C21 132.11(14) . .
P3 Rh P1 C21 -45.38(12) . .
P2 Rh P1 C21 40.69(12) . .
O1 Rh P1 C31 -29.74(18) . .
O2 Rh P1 C31 -13.88(13) . .
N Rh P1 C31 -100.00(13) . .
P3 Rh P1 C31 82.51(11) . .
P2 Rh P1 C31 168.58(11) . .
O1 Rh P2 C41 -146.96(14) . .
O2 Rh P2 C41 -151.77(17) . .
N Rh P2 C41 -58.00(14) . .
P3 Rh P2 C41 119.92(12) . .
P1 Rh P2 C41 23.80(12) . .
O1 Rh P2 C51 -22.61(13) . .
O2 Rh P2 C51 -27.43(18) . .
N Rh P2 C51 66.34(13) . .
P3 Rh P2 C51 -115.74(12) . .
P1 Rh P2 C51 148.14(12) . .
O1 Rh P2 C1 90.36(12) . .
O2 Rh P2 C1 85.55(16) . .
N Rh P2 C1 179.32(12) . .
P3 Rh P2 C1 -2.76(10) . .
P1 Rh P2 C1 -98.88(10) . .
O1 Rh P3 C71 108.23(14) . .
O2 Rh P3 C71 66.79(14) . .
N Rh P3 C71 -100.7(15) . .
P2 Rh P3 C71 -144.38(12) . .
P1 Rh P3 C71 -44.89(12) . .
O1 Rh P3 C61 -14.70(13) . .
O2 Rh P3 C61 -56.14(13) . .
N Rh P3 C61 136.3(15) . .
P2 Rh P3 C61 92.69(11) . .
P1 Rh P3 C61 -167.82(11) . .
O1 Rh P3 C2 -130.82(12) . .
O2 Rh P3 C2 -172.26(12) . .
N Rh P3 C2 20.2(15) . .
P2 Rh P3 C2 -23.43(10) . .
P1 Rh P3 C2 76.07(10) . .
N Rh O1 O2 91.35(14) . .
P3 Rh O1 O2 -90.10(12) . .
P2 Rh O1 O2 -176.24(11) . .
P1 Rh O1 O2 22.7(2) . .
N Rh O2 O1 -87.75(14) . .
P3 Rh O2 O1 92.90(12) . .
P2 Rh O2 O1 7.0(2) . .
P1 Rh O2 O1 -168.37(11) . .
O1 Rh n C12 -166.4(2) . .
O2 Rh n C12 -125.1(2) . .
P3 Rh n C12 42.5(16) . .
P2 Rh n C12 86.0(2) . .
P1 Rh n C12 -13.7(2) . .
O1 Rh n C10 21.6(2) . .
O2 Rh n C10 63.0(2) . .
P3 Rh n C10 -129.5(14) . .
P2 Rh n C10 -86.0(2) . .
P1 Rh n C10 174.3(2) . .
C41 P2 C1 C2 -96.8(2) . .
C51 P2 C1 C2 155.1(2) . .
Rh P2 C1 C2 35.0(2) . .
P2 C1 C2 P3 -55.1(2) . .
C71 P3 C2 C1 177.40(18) . .
C61 P3 C2 C1 -76.4(2) . .
Rh P3 C2 C1 50.78(19) . .
C21 P1 C11 C16 39.8(3) . .
C31 P1 C11 C16 -69.3(3) . .
Rh P1 C11 C16 171.7(2) . .
C21 P1 C11 C12 -141.6(2) . .
C31 P1 C11 C12 109.4(2) . .
Rh P1 C11 C12 -9.6(2) . .
C10 n C12 C11 -176.6(3) . .
Rh n C12 C11 11.3(4) . .
C10 n C12 C13 4.3(4) . .
Rh n C12 C13 -167.9(2) . .
C16 C11 C12 n 179.2(3) . .
P1 C11 C12 n 0.5(3) . .
C16 C11 C12 C13 -1.6(4) . .
P1 C11 C12 C13 179.7(2) . .
N C12 C13 C14 177.7(3) . .
C11 C12 C13 C14 -1.5(4) . .
C12 C13 C14 C15 3.4(5) . .
C13 C14 C15 C16 -2.0(5) . .
C14 C15 C16 C11 -1.2(5) . .
C12 C11 C16 C15 3.0(4) . .
P1 C11 C16 C15 -178.5(2) . .
C11 P1 C21 C26 -158.4(2) . .
C31 P1 C21 C26 -49.1(3) . .
Rh P1 C21 C26 83.4(3) . .
C11 P1 C21 C22 25.3(3) . .
C31 P1 C21 C22 134.6(2) . .
Rh P1 C21 C22 -92.9(2) . .
C26 C21 C22 C23 0.8(4) . .
P1 C21 C22 C23 177.1(2) . .
C21 C22 C23 C24 -1.5(5) . .
C22 C23 C24 C25 0.9(5) . .
C23 C24 C25 C26 0.4(6) . .
C24 C25 C26 C21 -1.1(5) . .
C22 C21 C26 C25 0.5(5) . .
P1 C21 C26 C25 -175.9(3) . .
C11 P1 C31 C36 90.1(3) . .
C21 P1 C31 C36 -22.5(3) . .
Rh P1 C31 C36 -160.3(3) . .
C11 P1 C31 C32 -84.4(3) . .
C21 P1 C31 C32 163.1(2) . .
Rh P1 C31 C32 25.2(3) . .
C36 C31 C32 C33 0.9(5) . .
P1 C31 C32 C33 175.6(3) . .
C31 C32 C33 C34 1.3(6) . .
C32 C33 C34 C35 -2.3(6) . .
C33 C34 C35 C36 1.1(7) . .
C32 C31 C36 C35 -2.1(6) . .
P1 C31 C36 C35 -176.5(3) . .
C34 C35 C36 C31 1.1(7) . .
C51 P2 C41 C42 111.7(3) . .
C1 P2 C41 C42 3.6(3) . .
Rh P2 C41 C42 -119.2(3) . .
C51 P2 C41 C46 -69.9(3) . .
C1 P2 C41 C46 -177.9(2) . .
Rh P2 C41 C46 59.3(3) . .
C46 C41 C42 C43 -1.1(5) . .
P2 C41 C42 C43 177.3(3) . .
C41 C42 C43 C44 -0.7(6) . .
C42 C43 C44 C45 1.2(6) . .
C43 C44 C45 C46 0.1(6) . .
C44 C45 C46 C41 -1.9(5) . .
C42 C41 C46 C45 2.4(5) . .
P2 C41 C46 C45 -176.1(3) . .
C41 P2 C51 C56 -18.8(3) . .
C1 P2 C51 C56 91.9(3) . .
Rh P2 C51 C56 -152.8(3) . .
C41 P2 C51 C52 165.1(3) . .
C1 P2 C51 C52 -84.1(3) . .
Rh P2 C51 C52 31.1(3) . .
C56 C51 C52 C53 -0.5(6) . .
P2 C51 C52 C53 175.7(3) . .
C51 C52 C53 C54 0.9(7) . .
C52 C53 C54 C55 -0.9(7) . .
C53 C54 C55 C56 0.5(8) . .
C52 C51 C56 C55 0.1(6) . .
P2 C51 C56 C55 -176.0(3) . .
C54 C55 C56 C51 -0.1(7) . .
C71 P3 C61 C62 -97.7(3) . .
C2 P3 C61 C62 150.3(3) . .
Rh P3 C61 C62 33.0(3) . .
C71 P3 C61 C66 78.1(3) . .
C2 P3 C61 C66 -33.9(3) . .
Rh P3 C61 C66 -151.2(3) . .
C66 C61 C62 C63 0.7(6) . .
P3 C61 C62 C63 176.7(4) . .
C61 C62 C63 C64 0.7(8) . .
C62 C63 C64 C65 -2.3(8) . .
C63 C64 C65 C66 2.2(7) . .
C62 C61 C66 C65 -0.7(6) . .
P3 C61 C66 C65 -176.6(3) . .
C64 C65 C66 C61 -0.8(6) . .
C61 P3 C71 C72 86.3(3) . .
C2 P3 C71 C72 -165.7(2) . .
Rh P3 C71 C72 -46.2(3) . .
C61 P3 C71 C76 -91.1(3) . .
C2 P3 C71 C76 16.9(3) . .
Rh P3 C71 C76 136.4(3) . .
C76 C71 C72 C73 -1.0(5) . .
P3 C71 C72 C73 -178.5(3) . .
C71 C72 C73 C74 -0.1(7) . .
C72 C73 C74 C75 0.8(8) . .
C73 C74 C75 C76 -0.4(9) . .
C74 C75 C76 C71 -0.8(7) . .
C72 C71 C76 C75 1.5(6) . .
P3 C71 C76 C75 178.8(3) . .
C16S C11S C12S C13S -0.9(10) . .
C11S C12S C13S C14S -0.3(14) . .
C12S C13S C14S C15S 0.8(16) . .
C13S C14S C15S C16S -0.1(14) . .
C14S C15S C16S C11S -1.0(10) . .
C12S C11S C16S C15S 1.5(9) . .
C23S C21S C22S C23S -0.3(7) 3 .
C21S C22S C23S C21S 0.3(7) . 3
C36S C31S C32S C33S 0.0 . .
C31S C32S C33S C34S 0.0 . .
C32S C33S C34S C35S 0.0 . .
C33S C34S C35S C36S 0.0 . .
C34S C35S C36S C31S 0.0 . .
C32S C31S C36S C35S 0.0 . .
C46S C41S C42S C43S 0.0 . .
C41S C42S C43S C44S 0.0 . .
C42S C43S C44S C45S 0.0 . .
C43S C44S C45S C46S 0.0 . .
C44S C45S C46S C41S 0.0 . .
C42S C41S C46S C45S 0.0 . .
C56S C51S C52S C53S 0.0 . .
C51S C52S C53S C54S 0.0 . .
C52S C53S C54S C55S 0.0 . .
C53S C54S C55S C56S 0.0 . .
C54S C55S C56S C51S 0.0 . .
C52S C51S C56S C55S 0.0 . .
