# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014


data_complex4_sk216b

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C26 H47 B F3 O3 P2 Rh'
_chemical_formula_sum            'C26 H47 B F3 O3 P2 Rh'
_chemical_formula_weight         640.30

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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14

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'

_cell_length_a                   16.1641(4)
_cell_length_b                   10.6262(2)
_cell_length_c                   19.1733(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 112.801(2)
_cell_angle_gamma                90.00
_cell_volume                     3035.91(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    53650
_cell_measurement_theta_min      2.18
_cell_measurement_theta_max      29.58

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.330
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.280
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.401
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1336
_exptl_absorpt_coefficient_mu    0.711
_exptl_absorpt_process_details   'STOE X-RED'
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.7987
_exptl_absorpt_correction_T_max  0.8616
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
3 1 5 0.1190
-4 6 0 0.1670
-5 1 -6 0.1740
1 -6 -4 0.1800
3 0 -4 0.1430
-3 0 4 0.1850
-4 4 7 0.1510
4 1 -4 0.1720
-2 -8 -1 0.2000
-1 0 5 0.1380
1 2 -7 0.1330
1 0 -5 0.1510
-1 -6 5 0.2160
-4 0 1 0.2070
11 -1 -3 0.2040
-4 3 3 0.1620
-4 -3 -1 0.2280
2 1 0 0.1870

_exptl_special_details           
; 
 ? 
;

_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_detector_type            STOE
_diffrn_detector_area_resol_mean 6.67
_diffrn_source                   
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_diffrn_source_voltage           50
_diffrn_source_current           45
_diffrn_source_power             2.25
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_collimation    '0.5 mm diameter, monocapillary'
_diffrn_ambient_temperature      100(2)
_diffrn_measurement_method       'rotation method'
_diffrn_measurement_details      
; 316 frames, detector distance = 100 mm
;

_diffrn_reflns_number            51321
_diffrn_reflns_theta_min         2.10
_diffrn_reflns_theta_max         29.50
_diffrn_reflns_theta_full        29.50
_diffrn_reflns_av_unetI/netI     0.0504
_diffrn_reflns_av_R_equivalents  0.0399
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_reflns_d_resolution_high        0.722
_reflns_d_resolution_low         9.691
_reflns_special_details          'Friedel pairs have been merged'
_reflns_limit_h_min              -22
_reflns_limit_h_max              20
_reflns_limit_k_min              0
_reflns_limit_k_max              14
_reflns_limit_l_min              0
_reflns_limit_l_max              26
_reflns_number_total             8454
_reflns_number_gt                6623
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'STOE X-AREA'
_computing_cell_refinement       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_solution    SIR97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0266P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00181(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         8454
_refine_ls_number_parameters     336
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0301
_refine_ls_R_factor_gt           0.0211
_refine_ls_wR_factor_ref         0.0471
_refine_ls_wR_factor_gt          0.0464
_refine_ls_goodness_of_fit_ref   0.838
_refine_ls_restrained_S_all      0.838
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
C1 C 0.75296(9) 0.09495(14) 0.29858(8) 0.0125(3) Uani 1 1 d . . .
C2 C 0.75448(10) 0.18405(16) 0.23816(8) 0.0176(3) Uani 1 1 d . . .
B1 B 0.83372(11) -0.08192(16) 0.27132(9) 0.0144(3) Uani 1 1 d . . .
C4 C 0.90443(10) -0.22304(14) 0.22566(8) 0.0149(3) Uani 1 1 d . . .
C5 C 0.80078(10) -0.23647(15) 0.18314(8) 0.0157(3) Uani 1 1 d . . .
C6 C 0.94688(11) -0.14367(16) 0.18242(10) 0.0210(3) Uani 1 1 d . . .
H6A H 0.9133 -0.0649 0.1664 0.032 Uiso 1 1 calc R . .
H6B H 0.9454 -0.1901 0.1378 0.032 Uiso 1 1 calc R . .
H6C H 1.0093 -0.1249 0.2152 0.032 Uiso 1 1 calc R . .
C7 C 0.95485(11) -0.34573(15) 0.25032(9) 0.0191(3) Uani 1 1 d . . .
H7A H 1.0189 -0.3283 0.2776 0.029 Uiso 1 1 calc R . .
H7B H 0.9464 -0.3973 0.2057 0.029 Uiso 1 1 calc R . .
H7C H 0.9319 -0.3911 0.2836 0.029 Uiso 1 1 calc R . .
C8 C 0.76973(11) -0.24085(17) 0.09778(9) 0.0218(3) Uani 1 1 d . . .
H8A H 0.7045 -0.2524 0.0750 0.033 Uiso 1 1 calc R . .
H8B H 0.7990 -0.3112 0.0834 0.033 Uiso 1 1 calc R . .
H8C H 0.7856 -0.1618 0.0797 0.033 Uiso 1 1 calc R . .
C9 C 0.76087(11) -0.34502(16) 0.21131(10) 0.0225(3) Uani 1 1 d . . .
H9A H 0.7823 -0.3413 0.2666 0.034 Uiso 1 1 calc R . .
H9B H 0.7793 -0.4249 0.1963 0.034 Uiso 1 1 calc R . .
H9C H 0.6953 -0.3388 0.1893 0.034 Uiso 1 1 calc R . .
C10 C 0.66998(10) 0.03637(14) 0.29473(8) 0.0143(3) Uani 1 1 d . . .
C11 C 0.59006(10) 0.10863(15) 0.27513(8) 0.0157(3) Uani 1 1 d . . .
H11 H 0.5890 0.1939 0.2599 0.019 Uiso 1 1 calc R . .
C12 C 0.51208(11) 0.05303(17) 0.27842(9) 0.0206(3) Uani 1 1 d . . .
H12 H 0.4579 0.1000 0.2620 0.025 Uiso 1 1 calc R . .
C13 C 0.51296(11) -0.06639(17) 0.30461(10) 0.0246(4) Uani 1 1 d . . .
H13 H 0.4600 -0.1022 0.3065 0.030 Uiso 1 1 calc R . .
C14 C 0.59334(12) -0.13596(17) 0.32882(10) 0.0245(3) Uani 1 1 d . . .
H14 H 0.5948 -0.2183 0.3485 0.029 Uiso 1 1 calc R . .
C15 C 0.66941(11) -0.08689(15) 0.32443(9) 0.0186(3) Uani 1 1 d . . .
H15 H 0.7229 -0.1356 0.3414 0.022 Uiso 1 1 calc R . .
C16 C 0.63521(10) 0.17834(17) 0.52647(8) 0.0193(3) Uani 1 1 d . . .
H16A H 0.6943 0.1853 0.5690 0.023 Uiso 1 1 calc R . .
H16B H 0.5894 0.2138 0.5434 0.023 Uiso 1 1 calc R . .
C17 C 0.61424(12) 0.03969(17) 0.50633(10) 0.0258(4) Uani 1 1 d . . .
H17A H 0.5528 0.0316 0.4685 0.039 Uiso 1 1 calc R . .
H17B H 0.6200 -0.0075 0.5519 0.039 Uiso 1 1 calc R . .
H17C H 0.6565 0.0060 0.4857 0.039 Uiso 1 1 calc R . .
C18 C 0.66668(10) 0.42872(15) 0.48675(9) 0.0166(3) Uani 1 1 d . . .
H18A H 0.6281 0.4510 0.5143 0.020 Uiso 1 1 calc R . .
H18B H 0.7298 0.4288 0.5235 0.020 Uiso 1 1 calc R . .
C19 C 0.65512(11) 0.52724(16) 0.42555(10) 0.0230(3) Uani 1 1 d . . .
H19A H 0.6863 0.4992 0.3935 0.035 Uiso 1 1 calc R . .
H19B H 0.6805 0.6075 0.4494 0.035 Uiso 1 1 calc R . .
H19C H 0.5911 0.5382 0.3945 0.035 Uiso 1 1 calc R . .
C20 C 0.51619(10) 0.29182(16) 0.38822(9) 0.0195(3) Uani 1 1 d . . .
H20A H 0.5105 0.3314 0.3398 0.023 Uiso 1 1 calc R . .
H20B H 0.4884 0.2074 0.3761 0.023 Uiso 1 1 calc R . .
C21 C 0.46129(11) 0.3699(2) 0.42181(10) 0.0278(4) Uani 1 1 d . . .
H21A H 0.4664 0.3331 0.4702 0.042 Uiso 1 1 calc R . .
H21B H 0.3982 0.3702 0.3868 0.042 Uiso 1 1 calc R . .
H21C H 0.4841 0.4564 0.4300 0.042 Uiso 1 1 calc R . .
C22 C 0.87875(10) 0.41433(14) 0.46388(9) 0.0153(3) Uani 1 1 d . . .
H22A H 0.8386 0.4631 0.4817 0.018 Uiso 1 1 calc R . .
H22B H 0.9410 0.4268 0.5008 0.018 Uiso 1 1 calc R . .
C23 C 0.87089(12) 0.46594(16) 0.38739(10) 0.0233(3) Uani 1 1 d . . .
H23A H 0.9150 0.4243 0.3717 0.035 Uiso 1 1 calc R . .
H23B H 0.8823 0.5568 0.3915 0.035 Uiso 1 1 calc R . .
H23C H 0.8103 0.4500 0.3497 0.035 Uiso 1 1 calc R . .
C24 C 0.87621(10) 0.22250(15) 0.56278(8) 0.0154(3) Uani 1 1 d . . .
H24A H 0.9369 0.2561 0.5922 0.018 Uiso 1 1 calc R . .
H24B H 0.8330 0.2712 0.5771 0.018 Uiso 1 1 calc R . .
C25 C 0.87288(11) 0.08532(16) 0.58425(9) 0.0219(3) Uani 1 1 d . . .
H25A H 0.8180 0.0462 0.5483 0.033 Uiso 1 1 calc R . .
H25B H 0.8731 0.0805 0.6354 0.033 Uiso 1 1 calc R . .
H25C H 0.9253 0.0408 0.5829 0.033 Uiso 1 1 calc R . .
C26 C 0.94627(9) 0.16947(15) 0.45034(8) 0.0156(3) Uani 1 1 d . . .
H26A H 0.9397 0.0775 0.4545 0.019 Uiso 1 1 calc R . .
H26B H 0.9423 0.1866 0.3984 0.019 Uiso 1 1 calc R . .
C27 C 1.04051(10) 0.20668(16) 0.50558(9) 0.0198(3) Uani 1 1 d . . .
H27A H 1.0498 0.2969 0.5006 0.030 Uiso 1 1 calc R . .
H27B H 1.0854 0.1586 0.4940 0.030 Uiso 1 1 calc R . .
H27C H 1.0467 0.1884 0.5575 0.030 Uiso 1 1 calc R . .
O1 O 0.82854(7) 0.01381(10) 0.31644(6) 0.0154(2) Uani 1 1 d . . .
O2 O 0.91163(7) -0.15090(10) 0.29243(6) 0.0159(2) Uani 1 1 d . . .
O3 O 0.76826(7) -0.12058(11) 0.20454(6) 0.0166(2) Uani 1 1 d . . .
F1 F 0.83541(7) 0.23927(11) 0.25756(6) 0.0310(2) Uani 1 1 d . . .
F2 F 0.73924(9) 0.12974(11) 0.17083(6) 0.0354(3) Uani 1 1 d . . .
F3 F 0.69552(6) 0.27893(9) 0.22303(6) 0.0224(2) Uani 1 1 d . . .
P1 P 0.63694(2) 0.27049(4) 0.44602(2) 0.01356(7) Uani 1 1 d . . .
P2 P 0.85014(2) 0.24637(4) 0.46156(2) 0.01144(7) Uani 1 1 d . . .
Rh1 Rh 0.715283(7) 0.184592(11) 0.380904(6) 0.01033(3) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
C1 O1 1.4244(17) . ?
C1 C10 1.454(2) . ?
C1 C2 1.504(2) . ?
C1 Rh1 2.1248(14) . ?
C2 F3 1.3396(18) . ?
C2 F2 1.3468(17) . ?
C2 F1 1.3479(18) . ?
B1 O1 1.359(2) . ?
B1 O3 1.3704(19) . ?
B1 O2 1.3755(19) . ?
C4 O2 1.4575(17) . ?
C4 C7 1.513(2) . ?
C4 C6 1.520(2) . ?
C4 C5 1.560(2) . ?
C5 O3 1.4589(18) . ?
C5 C8 1.515(2) . ?
C5 C9 1.519(2) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.422(2) . ?
C10 C15 1.430(2) . ?
C10 Rh1 2.1929(14) . ?
C11 C12 1.415(2) . ?
C11 Rh1 2.3833(15) . ?
C11 H11 0.9500 . ?
C12 C13 1.363(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.408(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.368(2) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C17 1.527(3) . ?
C16 P1 1.8363(16) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.529(2) . ?
C18 P1 1.8377(16) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C21 1.527(2) . ?
C20 P1 1.8473(15) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.524(2) . ?
C22 P2 1.8399(15) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.521(2) . ?
C24 P2 1.8370(15) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C27 1.532(2) . ?
C26 P2 1.8406(15) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
P1 Rh1 2.2850(4) . ?
P2 Rh1 2.2274(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
O1 C1 C10 116.19(13) . . ?
O1 C1 C2 107.33(12) . . ?
C10 C1 C2 121.37(13) . . ?
O1 C1 Rh1 123.97(9) . . ?
C10 C1 Rh1 72.86(8) . . ?
C2 C1 Rh1 112.64(10) . . ?
F3 C2 F2 105.34(12) . . ?
F3 C2 F1 105.37(14) . . ?
F2 C2 F1 104.39(12) . . ?
F3 C2 C1 114.71(12) . . ?
F2 C2 C1 114.66(14) . . ?
F1 C2 C1 111.43(12) . . ?
O1 B1 O3 127.13(14) . . ?
O1 B1 O2 119.14(13) . . ?
O3 B1 O2 113.73(13) . . ?
O2 C4 C7 109.20(12) . . ?
O2 C4 C6 106.74(12) . . ?
C7 C4 C6 110.25(13) . . ?
O2 C4 C5 102.19(11) . . ?
C7 C4 C5 115.08(13) . . ?
C6 C4 C5 112.72(13) . . ?
O3 C5 C8 108.97(12) . . ?
O3 C5 C9 106.98(12) . . ?
C8 C5 C9 110.62(13) . . ?
O3 C5 C4 101.93(11) . . ?
C8 C5 C4 113.98(13) . . ?
C9 C5 C4 113.68(13) . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C5 C9 H9A 109.5 . . ?
C5 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C5 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 C15 117.03(14) . . ?
C11 C10 C1 120.51(14) . . ?
C15 C10 C1 121.34(13) . . ?
C11 C10 Rh1 79.36(9) . . ?
C15 C10 Rh1 114.19(10) . . ?
C1 C10 Rh1 67.81(8) . . ?
C12 C11 C10 119.75(15) . . ?
C12 C11 Rh1 125.51(11) . . ?
C10 C11 Rh1 64.73(8) . . ?
C12 C11 H11 120.1 . . ?
C10 C11 H11 120.1 . . ?
Rh1 C11 H11 81.2 . . ?
C13 C12 C11 121.52(16) . . ?
C13 C12 H12 119.2 . . ?
C11 C12 H12 119.2 . . ?
C12 C13 C14 119.13(16) . . ?
C12 C13 H13 120.4 . . ?
C14 C13 H13 120.4 . . ?
C15 C14 C13 121.08(16) . . ?
C15 C14 H14 119.5 . . ?
C13 C14 H14 119.5 . . ?
C14 C15 C10 121.23(15) . . ?
C14 C15 H15 119.4 . . ?
C10 C15 H15 119.4 . . ?
C17 C16 P1 112.09(11) . . ?
C17 C16 H16A 109.2 . . ?
P1 C16 H16A 109.2 . . ?
C17 C16 H16B 109.2 . . ?
P1 C16 H16B 109.2 . . ?
H16A C16 H16B 107.9 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 P1 111.49(11) . . ?
C19 C18 H18A 109.3 . . ?
P1 C18 H18A 109.3 . . ?
C19 C18 H18B 109.3 . . ?
P1 C18 H18B 109.3 . . ?
H18A C18 H18B 108.0 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 P1 117.72(11) . . ?
C21 C20 H20A 107.9 . . ?
P1 C20 H20A 107.9 . . ?
C21 C20 H20B 107.9 . . ?
P1 C20 H20B 107.9 . . ?
H20A C20 H20B 107.2 . . ?
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 . . ?
C23 C22 P2 113.54(11) . . ?
C23 C22 H22A 108.9 . . ?
P2 C22 H22A 108.9 . . ?
C23 C22 H22B 108.9 . . ?
P2 C22 H22B 108.9 . . ?
H22A C22 H22B 107.7 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 P2 113.61(11) . . ?
C25 C24 H24A 108.8 . . ?
P2 C24 H24A 108.8 . . ?
C25 C24 H24B 108.8 . . ?
P2 C24 H24B 108.8 . . ?
H24A C24 H24B 107.7 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 C26 P2 117.57(11) . . ?
C27 C26 H26A 107.9 . . ?
P2 C26 H26A 107.9 . . ?
C27 C26 H26B 107.9 . . ?
P2 C26 H26B 107.9 . . ?
H26A C26 H26B 107.2 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
B1 O1 C1 123.97(12) . . ?
B1 O2 C4 105.64(11) . . ?
B1 O3 C5 106.50(11) . . ?
C16 P1 C18 102.57(7) . . ?
C16 P1 C20 102.30(7) . . ?
C18 P1 C20 100.61(7) . . ?
C16 P1 Rh1 115.98(6) . . ?
C18 P1 Rh1 119.25(5) . . ?
C20 P1 Rh1 113.68(5) . . ?
C24 P2 C22 98.96(7) . . ?
C24 P2 C26 101.75(7) . . ?
C22 P2 C26 102.58(7) . . ?
C24 P2 Rh1 117.06(5) . . ?
C22 P2 Rh1 118.16(5) . . ?
C26 P2 Rh1 115.56(5) . . ?
C1 Rh1 C10 39.33(5) . . ?
C1 Rh1 P2 99.37(4) . . ?
C10 Rh1 P2 133.31(4) . . ?
C1 Rh1 P1 164.60(4) . . ?
C10 Rh1 P1 127.20(4) . . ?
P2 Rh1 P1 95.936(14) . . ?
C1 Rh1 C11 67.01(5) . . ?
C10 Rh1 C11 35.91(5) . . ?
P2 Rh1 C11 166.06(4) . . ?
P1 Rh1 C11 97.61(4) . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C1 C2 F3 -170.38(12) . . . . ?
C10 C1 C2 F3 52.60(19) . . . . ?
Rh1 C1 C2 F3 -30.53(16) . . . . ?
O1 C1 C2 F2 67.51(16) . . . . ?
C10 C1 C2 F2 -69.51(18) . . . . ?
Rh1 C1 C2 F2 -152.64(11) . . . . ?
O1 C1 C2 F1 -50.78(16) . . . . ?
C10 C1 C2 F1 172.20(13) . . . . ?
Rh1 C1 C2 F1 89.07(13) . . . . ?
O2 C4 C5 O3 30.99(14) . . . . ?
C7 C4 C5 O3 149.19(12) . . . . ?
C6 C4 C5 O3 -83.20(14) . . . . ?
O2 C4 C5 C8 148.23(13) . . . . ?
C7 C4 C5 C8 -93.57(16) . . . . ?
C6 C4 C5 C8 34.03(18) . . . . ?
O2 C4 C5 C9 -83.75(15) . . . . ?
C7 C4 C5 C9 34.44(18) . . . . ?
C6 C4 C5 C9 162.05(13) . . . . ?
O1 C1 C10 C11 -178.16(12) . . . . ?
C2 C1 C10 C11 -44.6(2) . . . . ?
Rh1 C1 C10 C11 61.84(12) . . . . ?
O1 C1 C10 C15 14.35(19) . . . . ?
C2 C1 C10 C15 147.86(14) . . . . ?
Rh1 C1 C10 C15 -105.65(13) . . . . ?
O1 C1 C10 Rh1 120.00(12) . . . . ?
C2 C1 C10 Rh1 -106.49(13) . . . . ?
C15 C10 C11 C12 -6.2(2) . . . . ?
C1 C10 C11 C12 -174.19(14) . . . . ?
Rh1 C10 C11 C12 -118.03(13) . . . . ?
C15 C10 C11 Rh1 111.85(13) . . . . ?
C1 C10 C11 Rh1 -56.16(12) . . . . ?
C10 C11 C12 C13 4.2(2) . . . . ?
Rh1 C11 C12 C13 -74.46(19) . . . . ?
C11 C12 C13 C14 -0.1(2) . . . . ?
C12 C13 C14 C15 -1.9(3) . . . . ?
C13 C14 C15 C10 -0.4(2) . . . . ?
C11 C10 C15 C14 4.4(2) . . . . ?
C1 C10 C15 C14 172.26(15) . . . . ?
Rh1 C10 C15 C14 94.46(16) . . . . ?
O3 B1 O1 C1 -3.2(3) . . . . ?
O2 B1 O1 C1 177.02(13) . . . . ?
C10 C1 O1 B1 64.86(18) . . . . ?
C2 C1 O1 B1 -74.70(17) . . . . ?
Rh1 C1 O1 B1 151.16(12) . . . . ?
O1 B1 O2 C4 -166.54(14) . . . . ?
O3 B1 O2 C4 13.62(18) . . . . ?
C7 C4 O2 B1 -149.48(13) . . . . ?
C6 C4 O2 B1 91.35(14) . . . . ?
C5 C4 O2 B1 -27.18(15) . . . . ?
O1 B1 O3 C5 -172.20(16) . . . . ?
O2 B1 O3 C5 7.63(18) . . . . ?
C8 C5 O3 B1 -144.56(14) . . . . ?
C9 C5 O3 B1 95.82(14) . . . . ?
C4 C5 O3 B1 -23.77(15) . . . . ?
C17 C16 P1 C18 -178.30(11) . . . . ?
C17 C16 P1 C20 77.71(12) . . . . ?
C17 C16 P1 Rh1 -46.59(12) . . . . ?
C19 C18 P1 C16 -169.46(11) . . . . ?
C19 C18 P1 C20 -64.17(12) . . . . ?
C19 C18 P1 Rh1 60.81(12) . . . . ?
C21 C20 P1 C16 65.10(15) . . . . ?
C21 C20 P1 C18 -40.41(15) . . . . ?
C21 C20 P1 Rh1 -169.09(12) . . . . ?
C25 C24 P2 C22 -171.61(11) . . . . ?
C25 C24 P2 C26 -66.66(12) . . . . ?
C25 C24 P2 Rh1 60.29(12) . . . . ?
C23 C22 P2 C24 176.02(12) . . . . ?
C23 C22 P2 C26 71.75(13) . . . . ?
C23 C22 P2 Rh1 -56.62(13) . . . . ?
C27 C26 P2 C24 -50.80(13) . . . . ?
C27 C26 P2 C22 51.29(13) . . . . ?
C27 C26 P2 Rh1 -178.72(10) . . . . ?
O1 C1 Rh1 C10 -110.43(15) . . . . ?
C2 C1 Rh1 C10 117.49(14) . . . . ?
O1 C1 Rh1 P2 43.16(12) . . . . ?
C10 C1 Rh1 P2 153.59(8) . . . . ?
C2 C1 Rh1 P2 -88.92(10) . . . . ?
O1 C1 Rh1 P1 -143.48(11) . . . . ?
C10 C1 Rh1 P1 -33.0(2) . . . . ?
C2 C1 Rh1 P1 84.44(19) . . . . ?
O1 C1 Rh1 C11 -139.94(13) . . . . ?
C10 C1 Rh1 C11 -29.50(8) . . . . ?
C2 C1 Rh1 C11 87.98(11) . . . . ?
C11 C10 Rh1 C1 -129.39(13) . . . . ?
C15 C10 Rh1 C1 115.63(15) . . . . ?
C11 C10 Rh1 P2 -166.48(7) . . . . ?
C15 C10 Rh1 P2 78.53(12) . . . . ?
C1 C10 Rh1 P2 -37.09(10) . . . . ?
C11 C10 Rh1 P1 40.14(10) . . . . ?
C15 C10 Rh1 P1 -74.85(12) . . . . ?
C1 C10 Rh1 P1 169.52(7) . . . . ?
C15 C10 Rh1 C11 -114.99(15) . . . . ?
C1 C10 Rh1 C11 129.39(13) . . . . ?
C24 P2 Rh1 C1 -136.22(7) . . . . ?
C22 P2 Rh1 C1 105.62(7) . . . . ?
C26 P2 Rh1 C1 -16.36(7) . . . . ?
C24 P2 Rh1 C10 -113.43(8) . . . . ?
C22 P2 Rh1 C10 128.41(8) . . . . ?
C26 P2 Rh1 C10 6.43(8) . . . . ?
C24 P2 Rh1 P1 45.54(6) . . . . ?
C22 P2 Rh1 P1 -72.61(6) . . . . ?
C26 P2 Rh1 P1 165.40(6) . . . . ?
C24 P2 Rh1 C11 -148.13(17) . . . . ?
C22 P2 Rh1 C11 93.72(18) . . . . ?
C26 P2 Rh1 C11 -28.27(18) . . . . ?
C16 P1 Rh1 C1 105.72(17) . . . . ?
C18 P1 Rh1 C1 -130.90(17) . . . . ?
C20 P1 Rh1 C1 -12.47(17) . . . . ?
C16 P1 Rh1 C10 80.00(8) . . . . ?
C18 P1 Rh1 C10 -156.61(8) . . . . ?
C20 P1 Rh1 C10 -38.18(8) . . . . ?
C16 P1 Rh1 P2 -80.86(6) . . . . ?
C18 P1 Rh1 P2 42.52(6) . . . . ?
C20 P1 Rh1 P2 160.95(6) . . . . ?
C16 P1 Rh1 C11 102.43(7) . . . . ?
C18 P1 Rh1 C11 -134.19(7) . . . . ?
C20 P1 Rh1 C11 -15.76(7) . . . . ?
C12 C11 Rh1 C1 141.85(15) . . . . ?
C10 C11 Rh1 C1 32.15(9) . . . . ?
C12 C11 Rh1 C10 109.71(18) . . . . ?
C12 C11 Rh1 P2 154.63(12) . . . . ?
C10 C11 Rh1 P2 44.9(2) . . . . ?
C12 C11 Rh1 P1 -39.09(14) . . . . ?
C10 C11 Rh1 P1 -148.80(8) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.506
_refine_diff_density_min         -0.802
_refine_diff_density_rms         0.062
_database_code_depnum_ccdc_archive 'CCDC 977662'

data_complex5_sk351wh1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C28 H47 B F3 O5 P2 Rh'
_chemical_formula_sum            'C28 H47 B F3 O5 P2 Rh'
_chemical_formula_weight         696.32

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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/c
_symmetry_space_group_name_Hall  '-P 2ybc'


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'

_cell_length_a                   10.4240(5)
_cell_length_b                   29.0136(13)
_cell_length_c                   13.0004(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 124.428(3)
_cell_angle_gamma                90.00
_cell_volume                     3243.1(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    90(2)
_cell_measurement_reflns_used    18658
_cell_measurement_theta_min      2.14
_cell_measurement_theta_max      27.27

_exptl_crystal_description       rod
_exptl_crystal_colour            'light yellow'
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.426
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1448
_exptl_absorpt_coefficient_mu    0.677
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7736
_exptl_absorpt_correction_T_max  0.9354
_exptl_absorpt_process_details   'PLATON, Spek, 2003'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      90(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'STOE IPDS2theta'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        'no decay'
_diffrn_reflns_number            23758
_diffrn_reflns_av_R_equivalents  0.0872
_diffrn_reflns_av_sigmaI/netI    0.0677
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.36
_diffrn_reflns_theta_max         26.76
_reflns_number_total             6630
_reflns_number_gt                5171
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED (Stoe & Cie, 2002)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics    'PLATON, 1990'
_computing_publication_material  'PLATON, 1990'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0570P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6630
_refine_ls_number_parameters     371
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0679
_refine_ls_R_factor_gt           0.0479
_refine_ls_wR_factor_ref         0.1089
_refine_ls_wR_factor_gt          0.1021
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_restrained_S_all      1.017
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Rh1 Rh 0.72404(3) 0.136717(9) 0.95161(3) 0.02169(9) Uani 1 1 d . . .
P1 P 0.82661(12) 0.06723(3) 1.05214(9) 0.0237(2) Uani 1 1 d . . .
P2 P 0.53066(12) 0.18436(3) 0.79652(9) 0.0239(2) Uani 1 1 d . . .
F1 F 1.1317(3) 0.14839(7) 1.0946(2) 0.0311(5) Uani 1 1 d . . .
F2 F 1.1310(3) 0.09160(7) 0.9873(2) 0.0348(5) Uani 1 1 d . . .
F3 F 1.2405(3) 0.15583(8) 0.9962(2) 0.0367(5) Uani 1 1 d . . .
O1 O 0.5982(4) 0.15712(9) 1.1069(3) 0.0350(6) Uani 1 1 d . . .
O2 O 0.7607(3) 0.10405(8) 0.7585(2) 0.0239(5) Uani 1 1 d . . .
O3 O 0.9695(3) 0.13937(8) 0.7705(2) 0.0246(5) Uani 1 1 d . . .
O4 O 0.7350(3) 0.12815(8) 0.5649(2) 0.0264(6) Uani 1 1 d . . .
O5 O 0.8818(3) 0.06351(8) 0.6682(2) 0.0248(5) Uani 1 1 d . . .
C1 C 1.0292(4) 0.06091(12) 1.1850(4) 0.0266(8) Uani 1 1 d . . .
H1A H 1.0452 0.0293 1.2192 0.032 Uiso 1 1 calc R . .
H1B H 1.0982 0.0650 1.1560 0.032 Uiso 1 1 calc R . .
C2 C 1.0743(5) 0.09583(12) 1.2885(4) 0.0283(8) Uani 1 1 d . . .
H2A H 1.0612 0.1272 1.2557 0.043 Uiso 1 1 calc R . .
H2B H 1.1832 0.0911 1.3576 0.043 Uiso 1 1 calc R . .
H2C H 1.0075 0.0916 1.3185 0.043 Uiso 1 1 calc R . .
C3 C 0.7159(5) 0.04405(12) 1.1107(4) 0.0290(8) Uani 1 1 d . . .
H3A H 0.7353 0.0639 1.1800 0.035 Uiso 1 1 calc R . .
H3B H 0.6038 0.0464 1.0432 0.035 Uiso 1 1 calc R . .
C4 C 0.7507(5) -0.00611(13) 1.1572(4) 0.0345(9) Uani 1 1 d . . .
H4A H 0.7131 -0.0269 1.0863 0.052 Uiso 1 1 calc R . .
H4B H 0.6981 -0.0132 1.1983 0.052 Uiso 1 1 calc R . .
H4C H 0.8632 -0.0101 1.2167 0.052 Uiso 1 1 calc R . .
C5 C 0.8079(5) 0.02250(12) 0.9456(4) 0.0276(8) Uani 1 1 d . . .
H5A H 0.8699 0.0315 0.9127 0.033 Uiso 1 1 calc R . .
H5B H 0.8516 -0.0066 0.9925 0.033 Uiso 1 1 calc R . .
C6 C 0.6405(5) 0.01431(13) 0.8367(4) 0.0355(9) Uani 1 1 d . . .
H6A H 0.5808 0.0023 0.8681 0.053 Uiso 1 1 calc R . .
H6B H 0.6382 -0.0081 0.7793 0.053 Uiso 1 1 calc R . .
H6C H 0.5945 0.0434 0.7928 0.053 Uiso 1 1 calc R . .
C7 C 0.3458(5) 0.17281(13) 0.7773(4) 0.0311(8) Uani 1 1 d . . .
H7A H 0.3541 0.1826 0.8537 0.037 Uiso 1 1 calc R . .
H7B H 0.2635 0.1916 0.7071 0.037 Uiso 1 1 calc R . .
C8 C 0.2976(5) 0.12208(14) 0.7521(5) 0.0392(10) Uani 1 1 d . . .
H8A H 0.2769 0.1130 0.6714 0.059 Uiso 1 1 calc R . .
H8B H 0.2033 0.1177 0.7506 0.059 Uiso 1 1 calc R . .
H8C H 0.3815 0.1030 0.8182 0.059 Uiso 1 1 calc R . .
C9 C 0.4898(5) 0.17414(14) 0.6421(4) 0.0324(9) Uani 1 1 d . . .
H9A H 0.5769 0.1869 0.6407 0.039 Uiso 1 1 calc R . .
H9B H 0.4881 0.1404 0.6296 0.039 Uiso 1 1 calc R . .
C10 C 0.3380(5) 0.19440(17) 0.5320(4) 0.0427(11) Uani 1 1 d . . .
H10A H 0.2498 0.1800 0.5273 0.064 Uiso 1 1 calc R . .
H10B H 0.3305 0.1884 0.4546 0.064 Uiso 1 1 calc R . .
H10C H 0.3365 0.2277 0.5437 0.064 Uiso 1 1 calc R . .
C11 C 0.5467(5) 0.24707(12) 0.8131(4) 0.0319(9) Uani 1 1 d . . .
H11A H 0.6260 0.2581 0.7995 0.038 Uiso 1 1 calc R . .
H11B H 0.4459 0.2613 0.7487 0.038 Uiso 1 1 calc R . .
C12 C 0.5920(6) 0.26212(13) 0.9417(4) 0.0397(10) Uani 1 1 d . . .
H12A H 0.5081 0.2544 0.9516 0.060 Uiso 1 1 calc R . .
H12B H 0.6096 0.2955 0.9505 0.060 Uiso 1 1 calc R . .
H12C H 0.6875 0.2462 1.0057 0.060 Uiso 1 1 calc R . .
C13 C 0.6443(5) 0.14843(12) 1.0474(4) 0.0282(8) Uani 1 1 d . . .
C14 C 0.8196(5) 0.12936(11) 0.8543(4) 0.0259(8) Uani 1 1 d . . .
B1 B 0.8435(5) 0.10871(13) 0.6849(4) 0.0253(9) Uani 1 1 d . . .
C16 C 0.9647(4) 0.15436(12) 0.8707(3) 0.0242(7) Uani 1 1 d . . .
C17 C 1.1160(5) 0.13769(12) 0.9871(4) 0.0285(8) Uani 1 1 d . . .
C18 C 0.9515(4) 0.20677(11) 0.8726(3) 0.0237(7) Uani 1 1 d . . .
C19 C 0.9436(5) 0.23223(12) 0.7788(4) 0.0284(8) Uani 1 1 d . . .
H19 H 0.9478 0.2170 0.7161 0.034 Uiso 1 1 calc R . .
C20 C 0.9295(5) 0.27984(13) 0.7764(4) 0.0328(9) Uani 1 1 d . . .
H20 H 0.9206 0.2970 0.7105 0.039 Uiso 1 1 calc R . .
C21 C 0.9283(5) 0.30224(12) 0.8691(4) 0.0307(8) Uani 1 1 d . . .
H21 H 0.9220 0.3349 0.8686 0.037 Uiso 1 1 calc R . .
C22 C 0.9363(5) 0.27708(12) 0.9634(4) 0.0303(8) Uani 1 1 d . . .
H22 H 0.9335 0.2925 1.0267 0.036 Uiso 1 1 calc R . .
C23 C 0.9483(5) 0.22941(12) 0.9651(4) 0.0278(8) Uani 1 1 d . . .
H23 H 0.9543 0.2122 1.0299 0.033 Uiso 1 1 calc R . .
C24 C 0.6677(5) 0.09042(12) 0.4774(4) 0.0274(8) Uani 1 1 d . . .
C25 C 0.8059(5) 0.05601(12) 0.5366(3) 0.0253(8) Uani 1 1 d . . .
C26 C 0.9218(5) 0.06763(13) 0.5041(4) 0.0310(9) Uani 1 1 d . . .
H26A H 0.9453 0.1007 0.5165 0.046 Uiso 1 1 calc R . .
H26B H 0.8768 0.0597 0.4168 0.046 Uiso 1 1 calc R . .
H26C H 1.0178 0.0500 0.5581 0.046 Uiso 1 1 calc R . .
C27 C 0.7596(5) 0.00564(13) 0.5073(4) 0.0325(9) Uani 1 1 d . . .
H27A H 0.8534 -0.0135 0.5475 0.049 Uiso 1 1 calc R . .
H27B H 0.6989 0.0009 0.4169 0.049 Uiso 1 1 calc R . .
H27C H 0.6967 -0.0030 0.5387 0.049 Uiso 1 1 calc R . .
C28 C 0.5291(5) 0.07185(13) 0.4749(4) 0.0310(8) Uani 1 1 d . . .
H28A H 0.5644 0.0606 0.5580 0.046 Uiso 1 1 calc R . .
H28B H 0.4810 0.0465 0.4147 0.046 Uiso 1 1 calc R . .
H28C H 0.4528 0.0965 0.4502 0.046 Uiso 1 1 calc R . .
C29 C 0.6124(5) 0.10778(14) 0.3484(4) 0.0338(9) Uani 1 1 d . . .
H29A H 0.5228 0.1282 0.3174 0.051 Uiso 1 1 calc R . .
H29B H 0.5821 0.0815 0.2916 0.051 Uiso 1 1 calc R . .
H29C H 0.6966 0.1248 0.3529 0.051 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 C13 1.878(4) . ?
Rh1 C14 2.016(4) . ?
Rh1 P1 2.3100(9) . ?
Rh1 P2 2.3333(10) . ?
P1 C5 1.826(4) . ?
P1 C3 1.832(4) . ?
P1 C1 1.831(4) . ?
P2 C9 1.825(4) . ?
P2 C7 1.828(4) . ?
P2 C11 1.829(4) . ?
F1 C17 1.349(4) . ?
F2 C17 1.346(4) . ?
F3 C17 1.342(4) . ?
O1 C13 1.147(5) . ?
O2 C14 1.266(4) . ?
O2 B1 1.616(4) . ?
O3 C16 1.401(4) . ?
O3 B1 1.450(5) . ?
O4 B1 1.427(5) . ?
O4 C24 1.443(4) . ?
O5 B1 1.423(4) . ?
O5 C25 1.439(4) . ?
C1 C2 1.531(5) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.538(5) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.521(6) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.530(5) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.529(6) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.522(6) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C14 C16 1.580(5) . ?
C16 C17 1.520(6) . ?
C16 C18 1.528(5) . ?
C18 C19 1.388(5) . ?
C18 C23 1.387(5) . ?
C19 C20 1.388(5) . ?
C19 H19 0.9500 . ?
C20 C21 1.376(5) . ?
C20 H20 0.9500 . ?
C21 C22 1.388(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.388(5) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C24 C29 1.518(5) . ?
C24 C28 1.525(5) . ?
C24 C25 1.552(5) . ?
C25 C27 1.518(5) . ?
C25 C26 1.527(5) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?

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
C13 Rh1 C14 175.04(15) . . ?
C13 Rh1 P1 91.12(11) . . ?
C14 Rh1 P1 91.59(10) . . ?
C13 Rh1 P2 88.62(12) . . ?
C14 Rh1 P2 90.71(11) . . ?
P1 Rh1 P2 154.61(4) . . ?
C5 P1 C3 103.43(17) . . ?
C5 P1 C1 102.46(17) . . ?
C3 P1 C1 103.47(18) . . ?
C5 P1 Rh1 111.98(13) . . ?
C3 P1 Rh1 110.88(12) . . ?
C1 P1 Rh1 122.63(12) . . ?
C9 P2 C7 104.32(19) . . ?
C9 P2 C11 103.89(18) . . ?
C7 P2 C11 102.58(18) . . ?
C9 P2 Rh1 113.85(14) . . ?
C7 P2 Rh1 109.78(13) . . ?
C11 P2 Rh1 120.71(14) . . ?
C14 O2 B1 114.2(3) . . ?
C16 O3 B1 114.3(3) . . ?
B1 O4 C24 107.1(3) . . ?
B1 O5 C25 107.9(3) . . ?
C2 C1 P1 112.3(3) . . ?
C2 C1 H1A 109.1 . . ?
P1 C1 H1A 109.1 . . ?
C2 C1 H1B 109.1 . . ?
P1 C1 H1B 109.1 . . ?
H1A C1 H1B 107.9 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C3 P1 116.5(3) . . ?
C4 C3 H3A 108.2 . . ?
P1 C3 H3A 108.2 . . ?
C4 C3 H3B 108.2 . . ?
P1 C3 H3B 108.2 . . ?
H3A C3 H3B 107.3 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 P1 113.0(3) . . ?
C6 C5 H5A 109.0 . . ?
P1 C5 H5A 109.0 . . ?
C6 C5 H5B 109.0 . . ?
P1 C5 H5B 109.0 . . ?
H5A C5 H5B 107.8 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 P2 113.5(3) . . ?
C8 C7 H7A 108.9 . . ?
P2 C7 H7A 108.9 . . ?
C8 C7 H7B 108.9 . . ?
P2 C7 H7B 108.9 . . ?
H7A C7 H7B 107.7 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 P2 116.2(3) . . ?
C10 C9 H9A 108.2 . . ?
P2 C9 H9A 108.2 . . ?
C10 C9 H9B 108.2 . . ?
P2 C9 H9B 108.2 . . ?
H9A C9 H9B 107.4 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 P2 111.5(3) . . ?
C12 C11 H11A 109.3 . . ?
P2 C11 H11A 109.3 . . ?
C12 C11 H11B 109.3 . . ?
P2 C11 H11B 109.3 . . ?
H11A C11 H11B 108.0 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O1 C13 Rh1 177.5(3) . . ?
O2 C14 C16 107.1(3) . . ?
O2 C14 Rh1 122.8(3) . . ?
C16 C14 Rh1 129.9(2) . . ?
O5 B1 O4 108.4(3) . . ?
O5 B1 O3 118.2(3) . . ?
O4 B1 O3 114.3(3) . . ?
O5 B1 O2 107.6(3) . . ?
O4 B1 O2 108.8(3) . . ?
O3 B1 O2 98.7(3) . . ?
O3 C16 C17 105.3(3) . . ?
O3 C16 C18 112.0(3) . . ?
C17 C16 C18 110.7(3) . . ?
O3 C16 C14 105.5(3) . . ?
C17 C16 C14 111.3(3) . . ?
C18 C16 C14 111.8(3) . . ?
F3 C17 F2 106.5(3) . . ?
F3 C17 F1 105.9(3) . . ?
F2 C17 F1 106.3(3) . . ?
F3 C17 C16 111.7(3) . . ?
F2 C17 C16 111.8(3) . . ?
F1 C17 C16 114.1(3) . . ?
C19 C18 C23 119.4(3) . . ?
C19 C18 C16 118.4(3) . . ?
C23 C18 C16 122.1(3) . . ?
C20 C19 C18 120.2(3) . . ?
C20 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C21 C20 C19 120.3(4) . . ?
C21 C20 H20 119.9 . . ?
C19 C20 H20 119.9 . . ?
C20 C21 C22 120.0(3) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C21 C22 C23 119.9(3) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
C22 C23 C18 120.3(3) . . ?
C22 C23 H23 119.9 . . ?
C18 C23 H23 119.9 . . ?
O4 C24 C29 109.3(3) . . ?
O4 C24 C28 108.5(3) . . ?
C29 C24 C28 109.3(3) . . ?
O4 C24 C25 101.3(3) . . ?
C29 C24 C25 115.3(3) . . ?
C28 C24 C25 112.7(3) . . ?
O5 C25 C27 109.1(3) . . ?
O5 C25 C26 107.9(3) . . ?
C27 C25 C26 109.4(3) . . ?
O5 C25 C24 103.0(3) . . ?
C27 C25 C24 114.9(3) . . ?
C26 C25 C24 112.2(3) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C24 C28 H28A 109.5 . . ?
C24 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C24 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C24 C29 H29A 109.5 . . ?
C24 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C24 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.959
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.971
_refine_diff_density_max         0.864
_refine_diff_density_min         -1.556
_refine_diff_density_rms         0.096
_database_code_depnum_ccdc_archive 'CCDC 977663'

data_complex6_sk234

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C31 H50 B O3 P2 Rh'
_chemical_formula_sum            'C31 H50 B O3 P2 Rh'
_chemical_formula_weight         646.37

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'
B B 0.0013 0.0007 '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'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P n a 21'
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_Int_Tables_number      33

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x+1/2, y+1/2, z+1/2'
'x+1/2, -y+1/2, z'

_cell_length_a                   24.5391(5)
_cell_length_b                   10.0402(2)
_cell_length_c                   13.0353(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3211.60(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    27931
_cell_measurement_theta_min      2.19
_cell_measurement_theta_max      28.31

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.337
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1360
_exptl_absorpt_coefficient_mu    0.660
_exptl_absorpt_process_details   'STOE X-RED'
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.8315
_exptl_absorpt_correction_T_max  0.9476
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
5 0 3 0.0670
-5 0 -3 0.0560
0 3 -4 0.1020
3 0 -1 0.0670
-3 0 1 0.0280
2 0 -5 0.0720
4 3 0 0.1680
-2 0 5 0.0490
-6 -7 -1 0.1560

_exptl_special_details           
; 
 ? 
;

_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_detector_type            STOE
_diffrn_detector_area_resol_mean 6.67
_diffrn_source                   
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_diffrn_source_voltage           50
_diffrn_source_current           45
_diffrn_source_power             2.25
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_collimation    '0.5 mm diameter, monocapillary'
_diffrn_ambient_temperature      100(2)
_diffrn_measurement_method       'rotation method'
_diffrn_measurement_details      
; 196 frames, detector distance = 110 mm
;

_diffrn_reflns_number            29371
_diffrn_reflns_theta_min         2.03
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_full        28.32
_diffrn_reflns_av_unetI/netI     0.0773
_diffrn_reflns_av_R_equivalents  0.0681
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_reflns_d_resolution_high        0.749
_reflns_d_resolution_low         10.040
_reflns_special_details          'Friedel pairs have not been merged'
_publ_section_exptl_refinement   '3801 Friedel pairs'
_reflns_limit_h_min              0
_reflns_limit_h_max              32
_reflns_limit_k_min              0
_reflns_limit_k_max              13
_reflns_limit_l_min              -17
_reflns_limit_l_max              17
_reflns_number_total             7952
_reflns_number_gt                6246
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'STOE X-AREA'
_computing_cell_refinement       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_solution    SIR97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0311P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0027(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.01(2)
_refine_ls_number_reflns         7952
_refine_ls_number_parameters     393
_refine_ls_number_restraints     10
_refine_ls_R_factor_all          0.0424
_refine_ls_R_factor_gt           0.0307
_refine_ls_wR_factor_ref         0.0630
_refine_ls_wR_factor_gt          0.0611
_refine_ls_goodness_of_fit_ref   0.836
_refine_ls_restrained_S_all      0.836
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.564
_refine_diff_density_min         -0.843
_refine_diff_density_rms         0.063

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
Rh1 Rh 0.321858(9) 0.548951(19) 0.301013(19) 0.01661(5) Uani 1 1 d . A .
P1 P 0.27368(4) 0.38061(8) 0.37134(6) 0.01828(17) Uani 1 1 d . . .
P2 P 0.38401(4) 0.56645(8) 0.42233(8) 0.0275(2) Uani 1 1 d U . .
O1 O 0.39032(10) 0.8099(2) 0.24126(17) 0.0223(5) Uani 1 1 d . A .
O2 O 0.41157(10) 0.9041(2) 0.07424(18) 0.0223(5) Uani 1 1 d . . .
O3 O 0.47155(11) 0.9247(2) 0.2075(2) 0.0314(6) Uani 1 1 d . . .
B1 B 0.42287(16) 0.8769(3) 0.1731(3) 0.0197(7) Uani 1 1 d . . .
C1 C 0.34970(13) 0.7223(3) 0.2096(2) 0.0160(6) Uani 1 1 d . . .
C2 C 0.29264(14) 0.7478(3) 0.2225(2) 0.0182(6) Uani 1 1 d . A .
C3 C 0.26387(13) 0.6402(3) 0.1748(2) 0.0167(6) Uani 1 1 d . . .
C4 C 0.30442(13) 0.5568(3) 0.1227(2) 0.0180(6) Uani 1 1 d . A .
C5 C 0.35707(14) 0.6131(3) 0.1404(2) 0.0185(6) Uani 1 1 d . A .
C6 C 0.26294(15) 0.8520(3) 0.2698(3) 0.0255(8) Uani 1 1 d . . .
H6 H 0.2815 0.9229 0.3031 0.031 Uiso 1 1 calc R A .
C7 C 0.20772(16) 0.8497(3) 0.2671(3) 0.0284(8) Uani 1 1 d . A .
H7 H 0.1879 0.9208 0.2973 0.034 Uiso 1 1 calc R . .
C8 C 0.17902(16) 0.7437(3) 0.2201(3) 0.0265(7) Uani 1 1 d . . .
H8 H 0.1403 0.7440 0.2203 0.032 Uiso 1 1 calc R A .
C9 C 0.20646(15) 0.6406(3) 0.1743(3) 0.0216(7) Uani 1 1 d . A .
H9 H 0.1869 0.5701 0.1425 0.026 Uiso 1 1 calc R . .
C10 C 0.40308(14) 0.5592(3) 0.0923(2) 0.0243(7) Uani 1 1 d . . .
H10 H 0.4381 0.5968 0.1035 0.029 Uiso 1 1 calc R A .
C11 C 0.39679(16) 0.4512(4) 0.0289(3) 0.0281(8) Uani 1 1 d . A .
H11 H 0.4277 0.4151 -0.0051 0.034 Uiso 1 1 calc R . .
C12 C 0.34525(15) 0.3929(3) 0.0135(3) 0.0267(7) Uani 1 1 d . . .
H12 H 0.3421 0.3170 -0.0297 0.032 Uiso 1 1 calc R A .
C13 C 0.29958(14) 0.4434(3) 0.0592(2) 0.0221(6) Uani 1 1 d . A .
H13 H 0.2651 0.4027 0.0484 0.027 Uiso 1 1 calc R . .
C14 C 0.46157(15) 0.9591(4) 0.0304(3) 0.0257(7) Uani 1 1 d . . .
C15 C 0.49258(16) 1.0093(4) 0.1264(3) 0.0292(8) Uani 1 1 d . . .
C16 C 0.4462(2) 1.0661(4) -0.0461(3) 0.0363(10) Uani 1 1 d . . .
H16A H 0.4257 1.0261 -0.1027 0.054 Uiso 1 1 calc R . .
H16B H 0.4794 1.1079 -0.0730 0.054 Uiso 1 1 calc R . .
H16C H 0.4237 1.1336 -0.0121 0.054 Uiso 1 1 calc R . .
C17 C 0.4889(2) 0.8447(4) -0.0260(3) 0.0423(11) Uani 1 1 d . . .
H17A H 0.5008 0.7774 0.0236 0.063 Uiso 1 1 calc R . .
H17B H 0.5206 0.8783 -0.0638 0.063 Uiso 1 1 calc R . .
H17C H 0.4630 0.8047 -0.0742 0.063 Uiso 1 1 calc R . .
C18 C 0.4787(2) 1.1514(4) 0.1551(3) 0.0400(10) Uani 1 1 d . . .
H18A H 0.4391 1.1613 0.1596 0.060 Uiso 1 1 calc R . .
H18B H 0.4930 1.2121 0.1026 0.060 Uiso 1 1 calc R . .
H18C H 0.4952 1.1729 0.2216 0.060 Uiso 1 1 calc R . .
C19 C 0.55392(18) 0.9901(5) 0.1201(4) 0.0483(13) Uani 1 1 d . . .
H19A H 0.5711 1.0286 0.1811 0.072 Uiso 1 1 calc R . .
H19B H 0.5679 1.0347 0.0586 0.072 Uiso 1 1 calc R . .
H19C H 0.5623 0.8948 0.1164 0.072 Uiso 1 1 calc R . .
C20 C 0.24021(15) 0.4165(3) 0.4941(3) 0.0241(7) Uani 1 1 d . . .
H20A H 0.2163 0.3410 0.5129 0.029 Uiso 1 1 calc R . .
H20B H 0.2682 0.4261 0.5483 0.029 Uiso 1 1 calc R . .
C21 C 0.20634(17) 0.5439(4) 0.4883(4) 0.0444(10) Uani 1 1 d . . .
H21A H 0.2290 0.6169 0.4625 0.067 Uiso 1 1 calc R . .
H21B H 0.1928 0.5665 0.5569 0.067 Uiso 1 1 calc R . .
H21C H 0.1754 0.5302 0.4419 0.067 Uiso 1 1 calc R . .
C22 C 0.21574(15) 0.3293(3) 0.2900(4) 0.0353(9) Uani 1 1 d . . .
H22A H 0.1968 0.4109 0.2666 0.042 Uiso 1 1 calc R . .
H22B H 0.2307 0.2849 0.2283 0.042 Uiso 1 1 calc R . .
C23 C 0.17300(18) 0.2363(4) 0.3375(3) 0.0376(9) Uani 1 1 d . . .
H23A H 0.1909 0.1553 0.3625 0.056 Uiso 1 1 calc R . .
H23B H 0.1458 0.2127 0.2855 0.056 Uiso 1 1 calc R . .
H23C H 0.1550 0.2816 0.3948 0.056 Uiso 1 1 calc R . .
C24 C 0.30648(15) 0.2180(3) 0.3962(3) 0.0256(7) Uani 1 1 d U . .
H24A H 0.3271 0.2233 0.4613 0.031 Uiso 1 1 calc R . .
H24B H 0.2779 0.1493 0.4045 0.031 Uiso 1 1 calc R . .
C25 C 0.34468(17) 0.1762(3) 0.3111(5) 0.0479(12) Uani 1 1 d U . .
H25A H 0.3242 0.1682 0.2468 0.072 Uiso 1 1 calc R . .
H25B H 0.3611 0.0900 0.3282 0.072 Uiso 1 1 calc R . .
H25C H 0.3734 0.2431 0.3031 0.072 Uiso 1 1 calc R . .
C26 C 0.39389(15) 0.4392(4) 0.5220(3) 0.0275(8) Uani 1 1 d . A .
H26A H 0.3580 0.4209 0.5537 0.033 Uiso 1 1 calc R . .
H26B H 0.4059 0.3562 0.4878 0.033 Uiso 1 1 calc R . .
C27 C 0.43408(16) 0.4697(4) 0.6076(3) 0.0356(9) Uani 1 1 d . . .
H27A H 0.4692 0.4958 0.5779 0.053 Uiso 1 1 calc R A .
H27B H 0.4390 0.3903 0.6504 0.053 Uiso 1 1 calc R . .
H27C H 0.4199 0.5428 0.6498 0.053 Uiso 1 1 calc R . .
C28 C 0.3869(2) 0.7263(5) 0.4820(4) 0.0236(13) Uani 0.681(8) 1 d P A 1
H28A H 0.4182 0.7300 0.5298 0.028 Uiso 0.681(8) 1 calc PR A 1
H28B H 0.3919 0.7961 0.4292 0.028 Uiso 0.681(8) 1 calc PR A 1
C29 C 0.3342(3) 0.7507(7) 0.5404(5) 0.0396(18) Uani 0.681(8) 1 d P A 1
H29A H 0.3034 0.7477 0.4926 0.059 Uiso 0.681(8) 1 calc PR A 1
H29B H 0.3356 0.8384 0.5732 0.059 Uiso 0.681(8) 1 calc PR A 1
H29C H 0.3296 0.6817 0.5929 0.059 Uiso 0.681(8) 1 calc PR A 1
C282 C 0.3604(6) 0.6983(13) 0.5359(10) 0.032(2) Uani 0.319(8) 1 d PU A 2
H28C H 0.3299 0.6598 0.5758 0.039 Uiso 0.319(8) 1 calc PR A 2
H28D H 0.3912 0.7145 0.5833 0.039 Uiso 0.319(8) 1 calc PR A 2
C292 C 0.3429(5) 0.8265(10) 0.4884(8) 0.020(2) Uani 0.319(8) 1 d P A 2
H29D H 0.3694 0.8531 0.4361 0.030 Uiso 0.319(8) 1 calc PR A 2
H29E H 0.3408 0.8955 0.5414 0.030 Uiso 0.319(8) 1 calc PR A 2
H29F H 0.3070 0.8150 0.4566 0.030 Uiso 0.319(8) 1 calc PR A 2
C30 C 0.4563(3) 0.5685(8) 0.3647(5) 0.0272(12) Uani 0.681(8) 1 d PU A 1
H30A H 0.4585 0.6409 0.3133 0.033 Uiso 0.681(8) 1 calc PR A 1
H30B H 0.4827 0.5891 0.4199 0.033 Uiso 0.681(8) 1 calc PR A 1
C31 C 0.4730(2) 0.4378(7) 0.3136(7) 0.0351(16) Uani 0.681(8) 1 d P A 1
H31A H 0.4706 0.3652 0.3636 0.053 Uiso 0.681(8) 1 calc PR A 1
H31B H 0.5105 0.4450 0.2885 0.053 Uiso 0.681(8) 1 calc PR A 1
H31C H 0.4485 0.4194 0.2559 0.053 Uiso 0.681(8) 1 calc PR A 1
C302 C 0.4468(5) 0.6191(13) 0.4025(9) 0.019(3) Uani 0.319(8) 1 d P A 2
H30C H 0.4463 0.7025 0.3620 0.023 Uiso 0.319(8) 1 calc PR A 2
H30D H 0.4650 0.6371 0.4688 0.023 Uiso 0.319(8) 1 calc PR A 2
C312 C 0.4767(7) 0.5136(15) 0.3456(11) 0.035(4) Uani 0.319(8) 1 d P A 2
H31D H 0.4832 0.4376 0.3911 0.053 Uiso 0.319(8) 1 calc PR A 2
H31E H 0.5116 0.5489 0.3214 0.053 Uiso 0.319(8) 1 calc PR A 2
H31F H 0.4549 0.4846 0.2867 0.053 Uiso 0.319(8) 1 calc PR A 2


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 P2 2.2040(9) . ?
Rh1 C1 2.217(3) . ?
Rh1 P1 2.2573(8) . ?
Rh1 C2 2.355(3) . ?
Rh1 C5 2.355(3) . ?
Rh1 C3 2.360(3) . ?
Rh1 C4 2.365(3) . ?
P1 C20 1.834(4) . ?
P1 C22 1.847(4) . ?
P1 C24 1.849(3) . ?
P2 C302 1.650(12) . ?
P2 C28 1.785(5) . ?
P2 C26 1.837(4) . ?
P2 C30 1.927(7) . ?
P2 C282 2.069(14) . ?
O1 B1 1.371(4) . ?
O1 C1 1.392(4) . ?
O2 B1 1.346(4) . ?
O2 C14 1.462(4) . ?
O3 B1 1.363(5) . ?
O3 C15 1.452(4) . ?
C1 C5 1.432(4) . ?
C1 C2 1.433(4) . ?
C2 C6 1.416(5) . ?
C2 C3 1.433(4) . ?
C3 C9 1.409(5) . ?
C3 C4 1.467(4) . ?
C4 C13 1.413(4) . ?
C4 C5 1.429(5) . ?
C5 C10 1.400(5) . ?
C6 C7 1.356(5) . ?
C6 H6 0.9500 . ?
C7 C8 1.416(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.372(5) . ?
C8 H8 0.9500 . ?
C9 H9 0.9500 . ?
C10 C11 1.373(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.408(5) . ?
C11 H11 0.9500 . ?
C12 C13 1.366(5) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C16 1.513(5) . ?
C14 C17 1.520(5) . ?
C14 C15 1.548(5) . ?
C15 C18 1.514(5) . ?
C15 C19 1.520(6) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
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 C21 1.527(5) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.535(5) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.512(6) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C27 1.521(5) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C29 1.519(8) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C282 C292 1.490(17) . ?
C282 H28C 0.9900 . ?
C282 H28D 0.9900 . ?
C292 H29D 0.9800 . ?
C292 H29E 0.9800 . ?
C292 H29F 0.9800 . ?
C30 C31 1.527(9) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C302 C312 1.486(19) . ?
C302 H30C 0.9900 . ?
C302 H30D 0.9900 . ?
C312 H31D 0.9800 . ?
C312 H31E 0.9800 . ?
C312 H31F 0.9800 . ?

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
P2 Rh1 C1 96.30(8) . . ?
P2 Rh1 P1 97.51(3) . . ?
C1 Rh1 P1 165.35(8) . . ?
P2 Rh1 C2 117.05(8) . . ?
C1 Rh1 C2 36.38(11) . . ?
P1 Rh1 C2 130.67(9) . . ?
P2 Rh1 C5 111.25(9) . . ?
C1 Rh1 C5 36.34(11) . . ?
P1 Rh1 C5 139.29(8) . . ?
C2 Rh1 C5 59.58(11) . . ?
P2 Rh1 C3 152.42(8) . . ?
C1 Rh1 C3 60.43(11) . . ?
P1 Rh1 C3 104.94(8) . . ?
C2 Rh1 C3 35.38(10) . . ?
C5 Rh1 C3 59.69(12) . . ?
P2 Rh1 C4 145.87(8) . . ?
C1 Rh1 C4 60.09(11) . . ?
P1 Rh1 C4 109.23(8) . . ?
C2 Rh1 C4 59.32(11) . . ?
C5 Rh1 C4 35.24(11) . . ?
C3 Rh1 C4 36.18(11) . . ?
C20 P1 C22 102.2(2) . . ?
C20 P1 C24 102.47(15) . . ?
C22 P1 C24 100.92(16) . . ?
C20 P1 Rh1 116.20(11) . . ?
C22 P1 Rh1 112.27(13) . . ?
C24 P1 Rh1 120.28(12) . . ?
C302 P2 C28 75.2(5) . . ?
C302 P2 C26 102.1(4) . . ?
C28 P2 C26 108.2(2) . . ?
C28 P2 C30 97.1(3) . . ?
C26 P2 C30 99.3(2) . . ?
C302 P2 C282 99.7(7) . . ?
C26 P2 C282 88.6(4) . . ?
C30 P2 C282 122.0(5) . . ?
C302 P2 Rh1 124.0(4) . . ?
C28 P2 Rh1 114.30(17) . . ?
C26 P2 Rh1 122.89(13) . . ?
C30 P2 Rh1 111.0(2) . . ?
C282 P2 Rh1 111.7(4) . . ?
B1 O1 C1 122.4(3) . . ?
B1 O2 C14 106.2(3) . . ?
B1 O3 C15 106.1(3) . . ?
O2 B1 O3 115.1(3) . . ?
O2 B1 O1 126.9(3) . . ?
O3 B1 O1 118.0(3) . . ?
O1 C1 C5 125.5(3) . . ?
O1 C1 C2 123.5(3) . . ?
C5 C1 C2 109.5(3) . . ?
O1 C1 Rh1 123.9(2) . . ?
C5 C1 Rh1 77.09(17) . . ?
C2 C1 Rh1 77.07(18) . . ?
C6 C2 C3 119.5(3) . . ?
C6 C2 C1 133.3(3) . . ?
C3 C2 C1 107.2(3) . . ?
C6 C2 Rh1 126.4(2) . . ?
C3 C2 Rh1 72.49(17) . . ?
C1 C2 Rh1 66.55(17) . . ?
C9 C3 C2 119.5(3) . . ?
C9 C3 C4 132.6(3) . . ?
C2 C3 C4 107.3(3) . . ?
C9 C3 Rh1 127.4(2) . . ?
C2 C3 Rh1 72.13(18) . . ?
C4 C3 Rh1 72.10(17) . . ?
C13 C4 C5 119.3(3) . . ?
C13 C4 C3 132.4(3) . . ?
C5 C4 C3 108.2(3) . . ?
C13 C4 Rh1 124.4(2) . . ?
C5 C4 Rh1 72.01(17) . . ?
C3 C4 Rh1 71.72(16) . . ?
C10 C5 C4 120.3(3) . . ?
C10 C5 C1 132.8(3) . . ?
C4 C5 C1 106.9(3) . . ?
C10 C5 Rh1 126.0(2) . . ?
C4 C5 Rh1 72.75(18) . . ?
C1 C5 Rh1 66.57(16) . . ?
C7 C6 C2 119.4(3) . . ?
C7 C6 H6 120.3 . . ?
C2 C6 H6 120.3 . . ?
C6 C7 C8 121.4(3) . . ?
C6 C7 H7 119.3 . . ?
C8 C7 H7 119.3 . . ?
C9 C8 C7 120.8(4) . . ?
C9 C8 H8 119.6 . . ?
C7 C8 H8 119.6 . . ?
C8 C9 C3 119.4(3) . . ?
C8 C9 H9 120.3 . . ?
C3 C9 H9 120.3 . . ?
C11 C10 C5 119.0(3) . . ?
C11 C10 H10 120.5 . . ?
C5 C10 H10 120.5 . . ?
C10 C11 C12 121.0(3) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 H11 119.5 . . ?
C13 C12 C11 121.4(3) . . ?
C13 C12 H12 119.3 . . ?
C11 C12 H12 119.3 . . ?
C12 C13 C4 119.0(3) . . ?
C12 C13 H13 120.5 . . ?
C4 C13 H13 120.5 . . ?
O2 C14 C16 108.5(3) . . ?
O2 C14 C17 105.9(3) . . ?
C16 C14 C17 109.1(3) . . ?
O2 C14 C15 102.7(3) . . ?
C16 C14 C15 115.1(3) . . ?
C17 C14 C15 114.8(3) . . ?
O3 C15 C18 106.9(3) . . ?
O3 C15 C19 108.5(3) . . ?
C18 C15 C19 110.8(4) . . ?
O3 C15 C14 102.9(3) . . ?
C18 C15 C14 113.3(3) . . ?
C19 C15 C14 113.7(4) . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C15 C19 H19A 109.5 . . ?
C15 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C15 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 P1 111.5(3) . . ?
C21 C20 H20A 109.3 . . ?
P1 C20 H20A 109.3 . . ?
C21 C20 H20B 109.3 . . ?
P1 C20 H20B 109.3 . . ?
H20A C20 H20B 108.0 . . ?
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 . . ?
C23 C22 P1 117.7(3) . . ?
C23 C22 H22A 107.9 . . ?
P1 C22 H22A 107.9 . . ?
C23 C22 H22B 107.9 . . ?
P1 C22 H22B 107.9 . . ?
H22A C22 H22B 107.2 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 P1 112.8(3) . . ?
C25 C24 H24A 109.0 . . ?
P1 C24 H24A 109.0 . . ?
C25 C24 H24B 109.0 . . ?
P1 C24 H24B 109.0 . . ?
H24A C24 H24B 107.8 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 C26 P2 117.7(3) . . ?
C27 C26 H26A 107.9 . . ?
P2 C26 H26A 107.9 . . ?
C27 C26 H26B 107.9 . . ?
P2 C26 H26B 107.9 . . ?
H26A C26 H26B 107.2 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C29 C28 P2 109.3(4) . . ?
C29 C28 H28A 109.8 . . ?
P2 C28 H28A 109.8 . . ?
C29 C28 H28B 109.8 . . ?
P2 C28 H28B 109.8 . . ?
H28A C28 H28B 108.3 . . ?
C292 C282 P2 109.7(8) . . ?
C292 C282 H28C 109.7 . . ?
P2 C282 H28C 109.7 . . ?
C292 C282 H28D 109.7 . . ?
P2 C282 H28D 109.7 . . ?
H28C C282 H28D 108.2 . . ?
C282 C292 H29D 109.5 . . ?
C282 C292 H29E 109.5 . . ?
H29D C292 H29E 109.5 . . ?
C282 C292 H29F 109.5 . . ?
H29D C292 H29F 109.5 . . ?
H29E C292 H29F 109.5 . . ?
C31 C30 P2 114.0(4) . . ?
C31 C30 H30A 108.7 . . ?
P2 C30 H30A 108.7 . . ?
C31 C30 H30B 108.7 . . ?
P2 C30 H30B 108.7 . . ?
H30A C30 H30B 107.6 . . ?
C312 C302 P2 108.1(9) . . ?
C312 C302 H30C 110.1 . . ?
P2 C302 H30C 110.1 . . ?
C312 C302 H30D 110.1 . . ?
P2 C302 H30D 110.1 . . ?
H30C C302 H30D 108.4 . . ?
C302 C312 H31D 109.5 . . ?
C302 C312 H31E 109.5 . . ?
H31D C312 H31E 109.5 . . ?
C302 C312 H31F 109.5 . . ?
H31D C312 H31F 109.5 . . ?
H31E C312 H31F 109.5 . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P2 Rh1 P1 C20 64.04(14) . . . . ?
C1 Rh1 P1 C20 -96.4(4) . . . . ?
C2 Rh1 P1 C20 -71.85(17) . . . . ?
C5 Rh1 P1 C20 -160.43(18) . . . . ?
C3 Rh1 P1 C20 -99.81(15) . . . . ?
C4 Rh1 P1 C20 -137.48(15) . . . . ?
P2 Rh1 P1 C22 -178.86(16) . . . . ?
C1 Rh1 P1 C22 20.7(4) . . . . ?
C2 Rh1 P1 C22 45.2(2) . . . . ?
C5 Rh1 P1 C22 -43.3(2) . . . . ?
C3 Rh1 P1 C22 17.29(18) . . . . ?
C4 Rh1 P1 C22 -20.37(18) . . . . ?
P2 Rh1 P1 C24 -60.43(14) . . . . ?
C1 Rh1 P1 C24 139.2(4) . . . . ?
C2 Rh1 P1 C24 163.68(16) . . . . ?
C5 Rh1 P1 C24 75.10(19) . . . . ?
C3 Rh1 P1 C24 135.72(15) . . . . ?
C4 Rh1 P1 C24 98.06(16) . . . . ?
C1 Rh1 P2 C302 -33.7(6) . . . . ?
P1 Rh1 P2 C302 151.1(6) . . . . ?
C2 Rh1 P2 C302 -65.2(6) . . . . ?
C5 Rh1 P2 C302 0.5(6) . . . . ?
C3 Rh1 P2 C302 -64.3(6) . . . . ?
C4 Rh1 P2 C302 9.3(6) . . . . ?
C1 Rh1 P2 C28 54.3(2) . . . . ?
P1 Rh1 P2 C28 -120.8(2) . . . . ?
C2 Rh1 P2 C28 22.8(2) . . . . ?
C5 Rh1 P2 C28 88.5(2) . . . . ?
C3 Rh1 P2 C28 23.7(3) . . . . ?
C4 Rh1 P2 C28 97.3(3) . . . . ?
C1 Rh1 P2 C26 -171.34(18) . . . . ?
P1 Rh1 P2 C26 13.55(16) . . . . ?
C2 Rh1 P2 C26 157.20(18) . . . . ?
C5 Rh1 P2 C26 -137.10(17) . . . . ?
C3 Rh1 P2 C26 158.1(2) . . . . ?
C4 Rh1 P2 C26 -128.3(2) . . . . ?
C1 Rh1 P2 C30 -54.3(3) . . . . ?
P1 Rh1 P2 C30 130.6(2) . . . . ?
C2 Rh1 P2 C30 -85.8(3) . . . . ?
C5 Rh1 P2 C30 -20.1(3) . . . . ?
C3 Rh1 P2 C30 -84.9(3) . . . . ?
C4 Rh1 P2 C30 -11.3(3) . . . . ?
C1 Rh1 P2 C282 85.5(4) . . . . ?
P1 Rh1 P2 C282 -89.6(4) . . . . ?
C2 Rh1 P2 C282 54.1(4) . . . . ?
C5 Rh1 P2 C282 119.8(4) . . . . ?
C3 Rh1 P2 C282 54.9(5) . . . . ?
C4 Rh1 P2 C282 128.5(4) . . . . ?
C14 O2 B1 O3 9.6(4) . . . . ?
C14 O2 B1 O1 -171.9(3) . . . . ?
C15 O3 B1 O2 8.3(4) . . . . ?
C15 O3 B1 O1 -170.4(3) . . . . ?
C1 O1 B1 O2 22.6(5) . . . . ?
C1 O1 B1 O3 -159.0(3) . . . . ?
B1 O1 C1 C5 52.7(4) . . . . ?
B1 O1 C1 C2 -111.8(4) . . . . ?
B1 O1 C1 Rh1 151.2(3) . . . . ?
P2 Rh1 C1 O1 -6.6(3) . . . . ?
P1 Rh1 C1 O1 153.9(2) . . . . ?
C2 Rh1 C1 O1 121.8(3) . . . . ?
C5 Rh1 C1 O1 -124.3(4) . . . . ?
C3 Rh1 C1 O1 157.7(3) . . . . ?
C4 Rh1 C1 O1 -160.4(3) . . . . ?
P2 Rh1 C1 C5 117.72(18) . . . . ?
P1 Rh1 C1 C5 -81.8(4) . . . . ?
C2 Rh1 C1 C5 -113.9(3) . . . . ?
C3 Rh1 C1 C5 -78.0(2) . . . . ?
C4 Rh1 C1 C5 -36.08(19) . . . . ?
P2 Rh1 C1 C2 -128.42(17) . . . . ?
P1 Rh1 C1 C2 32.0(4) . . . . ?
C5 Rh1 C1 C2 113.9(3) . . . . ?
C3 Rh1 C1 C2 35.87(17) . . . . ?
C4 Rh1 C1 C2 77.78(19) . . . . ?
O1 C1 C2 C6 -3.5(6) . . . . ?
C5 C1 C2 C6 -170.2(3) . . . . ?
Rh1 C1 C2 C6 118.8(4) . . . . ?
O1 C1 C2 C3 176.3(3) . . . . ?
C5 C1 C2 C3 9.6(4) . . . . ?
Rh1 C1 C2 C3 -61.5(2) . . . . ?
O1 C1 C2 Rh1 -122.3(3) . . . . ?
C5 C1 C2 Rh1 71.1(2) . . . . ?
P2 Rh1 C2 C6 -66.6(3) . . . . ?
C1 Rh1 C2 C6 -127.5(4) . . . . ?
P1 Rh1 C2 C6 62.7(3) . . . . ?
C5 Rh1 C2 C6 -166.5(3) . . . . ?
C3 Rh1 C2 C6 114.1(4) . . . . ?
C4 Rh1 C2 C6 152.4(3) . . . . ?
P2 Rh1 C2 C3 179.30(16) . . . . ?
C1 Rh1 C2 C3 118.3(3) . . . . ?
P1 Rh1 C2 C3 -51.5(2) . . . . ?
C5 Rh1 C2 C3 79.4(2) . . . . ?
C4 Rh1 C2 C3 38.24(18) . . . . ?
P2 Rh1 C2 C1 60.97(19) . . . . ?
P1 Rh1 C2 C1 -169.81(14) . . . . ?
C5 Rh1 C2 C1 -38.93(18) . . . . ?
C3 Rh1 C2 C1 -118.3(3) . . . . ?
C4 Rh1 C2 C1 -80.09(19) . . . . ?
C6 C2 C3 C9 0.9(5) . . . . ?
C1 C2 C3 C9 -178.9(3) . . . . ?
Rh1 C2 C3 C9 123.4(3) . . . . ?
C6 C2 C3 C4 173.5(3) . . . . ?
C1 C2 C3 C4 -6.3(3) . . . . ?
Rh1 C2 C3 C4 -64.0(2) . . . . ?
C6 C2 C3 Rh1 -122.5(3) . . . . ?
C1 C2 C3 Rh1 57.7(2) . . . . ?
P2 Rh1 C3 C9 -115.2(3) . . . . ?
C1 Rh1 C3 C9 -150.8(3) . . . . ?
P1 Rh1 C3 C9 28.2(3) . . . . ?
C2 Rh1 C3 C9 -113.9(4) . . . . ?
C5 Rh1 C3 C9 167.0(3) . . . . ?
C4 Rh1 C3 C9 130.5(4) . . . . ?
P2 Rh1 C3 C2 -1.3(3) . . . . ?
C1 Rh1 C3 C2 -36.89(18) . . . . ?
P1 Rh1 C3 C2 142.11(17) . . . . ?
C5 Rh1 C3 C2 -79.1(2) . . . . ?
C4 Rh1 C3 C2 -115.6(3) . . . . ?
P2 Rh1 C3 C4 114.3(2) . . . . ?
C1 Rh1 C3 C4 78.73(19) . . . . ?
P1 Rh1 C3 C4 -102.27(16) . . . . ?
C2 Rh1 C3 C4 115.6(3) . . . . ?
C5 Rh1 C3 C4 36.56(16) . . . . ?
C9 C3 C4 C13 -4.6(6) . . . . ?
C2 C3 C4 C13 -175.8(3) . . . . ?
Rh1 C3 C4 C13 120.2(4) . . . . ?
C9 C3 C4 C5 172.0(3) . . . . ?
C2 C3 C4 C5 0.8(3) . . . . ?
Rh1 C3 C4 C5 -63.2(2) . . . . ?
C9 C3 C4 Rh1 -124.8(4) . . . . ?
C2 C3 C4 Rh1 64.0(2) . . . . ?
P2 Rh1 C4 C13 99.4(3) . . . . ?
C1 Rh1 C4 C13 150.9(3) . . . . ?
P1 Rh1 C4 C13 -40.2(3) . . . . ?
C2 Rh1 C4 C13 -166.8(3) . . . . ?
C5 Rh1 C4 C13 113.6(3) . . . . ?
C3 Rh1 C4 C13 -129.4(3) . . . . ?
P2 Rh1 C4 C5 -14.2(3) . . . . ?
C1 Rh1 C4 C5 37.22(18) . . . . ?
P1 Rh1 C4 C5 -153.84(16) . . . . ?
C2 Rh1 C4 C5 79.6(2) . . . . ?
C3 Rh1 C4 C5 117.0(3) . . . . ?
P2 Rh1 C4 C3 -131.22(16) . . . . ?
C1 Rh1 C4 C3 -79.76(19) . . . . ?
P1 Rh1 C4 C3 89.18(17) . . . . ?
C2 Rh1 C4 C3 -37.38(17) . . . . ?
C5 Rh1 C4 C3 -117.0(3) . . . . ?
C13 C4 C5 C10 2.2(5) . . . . ?
C3 C4 C5 C10 -174.9(3) . . . . ?
Rh1 C4 C5 C10 122.1(3) . . . . ?
C13 C4 C5 C1 -177.9(3) . . . . ?
C3 C4 C5 C1 4.9(3) . . . . ?
Rh1 C4 C5 C1 -58.0(2) . . . . ?
C13 C4 C5 Rh1 -119.9(3) . . . . ?
C3 C4 C5 Rh1 63.0(2) . . . . ?
O1 C1 C5 C10 4.5(6) . . . . ?
C2 C1 C5 C10 170.8(3) . . . . ?
Rh1 C1 C5 C10 -118.2(4) . . . . ?
O1 C1 C5 C4 -175.4(3) . . . . ?
C2 C1 C5 C4 -9.0(4) . . . . ?
Rh1 C1 C5 C4 62.0(2) . . . . ?
O1 C1 C5 Rh1 122.6(3) . . . . ?
C2 C1 C5 Rh1 -71.0(2) . . . . ?
P2 Rh1 C5 C10 56.2(3) . . . . ?
C1 Rh1 C5 C10 126.9(4) . . . . ?
P1 Rh1 C5 C10 -75.6(3) . . . . ?
C2 Rh1 C5 C10 165.9(3) . . . . ?
C3 Rh1 C5 C10 -152.8(3) . . . . ?
C4 Rh1 C5 C10 -115.3(3) . . . . ?
P2 Rh1 C5 C4 171.48(16) . . . . ?
C1 Rh1 C5 C4 -117.8(3) . . . . ?
P1 Rh1 C5 C4 39.7(2) . . . . ?
C2 Rh1 C5 C4 -78.8(2) . . . . ?
C3 Rh1 C5 C4 -37.55(18) . . . . ?
P2 Rh1 C5 C1 -70.74(19) . . . . ?
P1 Rh1 C5 C1 157.43(15) . . . . ?
C2 Rh1 C5 C1 38.98(18) . . . . ?
C3 Rh1 C5 C1 80.2(2) . . . . ?
C4 Rh1 C5 C1 117.8(3) . . . . ?
C3 C2 C6 C7 -1.5(5) . . . . ?
C1 C2 C6 C7 178.2(3) . . . . ?
Rh1 C2 C6 C7 -90.8(4) . . . . ?
C2 C6 C7 C8 1.5(5) . . . . ?
C6 C7 C8 C9 -1.0(5) . . . . ?
C7 C8 C9 C3 0.5(5) . . . . ?
C2 C3 C9 C8 -0.4(5) . . . . ?
C4 C3 C9 C8 -170.8(3) . . . . ?
Rh1 C3 C9 C8 88.9(4) . . . . ?
C4 C5 C10 C11 -0.5(5) . . . . ?
C1 C5 C10 C11 179.7(3) . . . . ?
Rh1 C5 C10 C11 89.5(4) . . . . ?
C5 C10 C11 C12 -1.3(5) . . . . ?
C10 C11 C12 C13 1.4(6) . . . . ?
C11 C12 C13 C4 0.4(5) . . . . ?
C5 C4 C13 C12 -2.1(5) . . . . ?
C3 C4 C13 C12 174.2(3) . . . . ?
Rh1 C4 C13 C12 -89.5(4) . . . . ?
B1 O2 C14 C16 -144.1(3) . . . . ?
B1 O2 C14 C17 98.9(3) . . . . ?
B1 O2 C14 C15 -21.9(3) . . . . ?
B1 O3 C15 C18 98.5(4) . . . . ?
B1 O3 C15 C19 -141.9(4) . . . . ?
B1 O3 C15 C14 -21.2(4) . . . . ?
O2 C14 C15 O3 26.2(3) . . . . ?
C16 C14 C15 O3 143.8(3) . . . . ?
C17 C14 C15 O3 -88.3(3) . . . . ?
O2 C14 C15 C18 -89.0(3) . . . . ?
C16 C14 C15 C18 28.7(4) . . . . ?
C17 C14 C15 C18 156.6(3) . . . . ?
O2 C14 C15 C19 143.3(3) . . . . ?
C16 C14 C15 C19 -99.1(4) . . . . ?
C17 C14 C15 C19 28.8(4) . . . . ?
C22 P1 C20 C21 -71.4(3) . . . . ?
C24 P1 C20 C21 -175.6(3) . . . . ?
Rh1 P1 C20 C21 51.2(3) . . . . ?
C20 P1 C22 C23 -42.7(3) . . . . ?
C24 P1 C22 C23 62.8(3) . . . . ?
Rh1 P1 C22 C23 -167.9(3) . . . . ?
C20 P1 C24 C25 -170.8(3) . . . . ?
C22 P1 C24 C25 84.0(3) . . . . ?
Rh1 P1 C24 C25 -40.0(3) . . . . ?
C302 P2 C26 C27 41.1(6) . . . . ?
C28 P2 C26 C27 -37.1(4) . . . . ?
C30 P2 C26 C27 63.6(4) . . . . ?
C282 P2 C26 C27 -58.6(5) . . . . ?
Rh1 P2 C26 C27 -173.8(2) . . . . ?
C302 P2 C28 C29 -173.1(6) . . . . ?
C26 P2 C28 C29 -75.0(4) . . . . ?
C30 P2 C28 C29 -177.2(4) . . . . ?
C282 P2 C28 C29 -25.4(9) . . . . ?
Rh1 P2 C28 C29 65.8(5) . . . . ?
C302 P2 C282 C292 82.0(10) . . . . ?
C28 P2 C282 C292 50.4(8) . . . . ?
C26 P2 C282 C292 -175.9(9) . . . . ?
C30 P2 C282 C292 84.0(10) . . . . ?
Rh1 P2 C282 C292 -50.8(10) . . . . ?
C302 P2 C30 C31 163.8(13) . . . . ?
C28 P2 C30 C31 174.2(5) . . . . ?
C26 P2 C30 C31 64.4(5) . . . . ?
C282 P2 C30 C31 158.6(6) . . . . ?
Rh1 P2 C30 C31 -66.3(5) . . . . ?
C28 P2 C302 C312 178.7(9) . . . . ?
C26 P2 C302 C312 72.9(9) . . . . ?
C30 P2 C302 C312 -12.0(9) . . . . ?
C282 P2 C302 C312 163.6(9) . . . . ?
Rh1 P2 C302 C312 -71.7(9) . . . . ?
_database_code_depnum_ccdc_archive 'CCDC 977664'

data_complex7_sk286_2

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C37 H57 B N O2 P2 Rh'
_chemical_formula_sum            'C37 H57 B N O2 P2 Rh'
_chemical_formula_weight         723.50

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C .0033 .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B .0013 .0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N .0061 .0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O .0106 .0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P .1023 .0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 .9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/c
_symmetry_space_group_name_Hall  '-P 2ybc'

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'

_cell_length_a                   19.0638(3)
_cell_length_b                   20.0967(4)
_cell_length_c                   20.5505(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 107.6360(10)
_cell_angle_gamma                90.00
_cell_volume                     7503.3(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5248
_cell_measurement_theta_min      4.63
_cell_measurement_theta_max      26.85

_exptl_crystal_description       rod
_exptl_crystal_colour            'dark red'
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.281
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3056
_exptl_absorpt_coefficient_mu    0.572
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8206
_exptl_absorpt_correction_T_max  0.9831
_exptl_absorpt_process_details   'PLATON, 1990'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'STOE IPDS2THETA'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        'no decay'
_diffrn_reflns_number            91569
_diffrn_reflns_av_R_equivalents  0.0527
_diffrn_reflns_av_sigmaI/netI    0.0345
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         4.63
_diffrn_reflns_theta_max         26.85
_reflns_number_total             15810
_reflns_number_gt                12772
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED (Stoe & Cie, 2002)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics    'PLATON, 1990'
_computing_publication_material  'PLATON, 1990'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0493P)²+0.6792P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         15810
_refine_ls_number_parameters     813
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0501
_refine_ls_R_factor_gt           0.0352
_refine_ls_wR_factor_ref         0.0850
_refine_ls_wR_factor_gt          0.0808
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
Rh1 Rh 0.587590(9) 0.411986(9) 0.379876(8) 0.01702(5) Uani 1 1 d . . .
P1 P 0.47322(3) 0.36980(3) 0.34154(3) 0.01858(12) Uani 1 1 d . . .
P2 P 0.57787(4) 0.49057(3) 0.30103(3) 0.02499(14) Uani 1 1 d . . .
O1 O 0.49411(8) 0.18552(8) 0.57079(8) 0.0190(3) Uani 1 1 d . . .
O2 O 0.48019(8) 0.19427(8) 0.45579(8) 0.0198(3) Uani 1 1 d . . .
N1 N 0.59670(10) 0.23272(9) 0.53336(9) 0.0159(4) Uani 1 1 d . . .
C1 C 0.42862(13) 0.35890(13) 0.40813(12) 0.0234(5) Uani 1 1 d . . .
H1A H 0.3794 0.3390 0.3873 0.028 Uiso 1 1 calc R . .
H1B H 0.4579 0.3270 0.4424 0.028 Uiso 1 1 calc R . .
C2 C 0.41948(15) 0.42295(14) 0.44466(14) 0.0310(6) Uani 1 1 d . . .
H2A H 0.4676 0.4443 0.4637 0.046 Uiso 1 1 calc R . .
H2B H 0.3987 0.4125 0.4816 0.046 Uiso 1 1 calc R . .
H2C H 0.3863 0.4532 0.4121 0.046 Uiso 1 1 calc R . .
C3 C 0.47146(13) 0.28316(12) 0.31239(12) 0.0214(5) Uani 1 1 d . . .
H3A H 0.5031 0.2559 0.3500 0.026 Uiso 1 1 calc R . .
H3B H 0.4206 0.2659 0.3018 0.026 Uiso 1 1 calc R . .
C4 C 0.49733(14) 0.27488(13) 0.24982(13) 0.0267(5) Uani 1 1 d . . .
H4A H 0.4632 0.2979 0.2109 0.040 Uiso 1 1 calc R . .
H4B H 0.4988 0.2275 0.2392 0.040 Uiso 1 1 calc R . .
H4C H 0.5467 0.2940 0.2590 0.040 Uiso 1 1 calc R . .
C5 C 0.39992(13) 0.40895(13) 0.27214(12) 0.0249(5) Uani 1 1 d . . .
H5A H 0.3862 0.4513 0.2896 0.030 Uiso 1 1 calc R . .
H5B H 0.4208 0.4203 0.2349 0.030 Uiso 1 1 calc R . .
C6 C 0.32968(13) 0.36897(14) 0.24136(13) 0.0293(6) Uani 1 1 d . . .
H6A H 0.3411 0.3290 0.2192 0.044 Uiso 1 1 calc R . .
H6B H 0.2940 0.3962 0.2075 0.044 Uiso 1 1 calc R . .
H6C H 0.3088 0.3560 0.2776 0.044 Uiso 1 1 calc R . .
C7 C 0.56810(16) 0.46299(15) 0.21281(13) 0.0333(6) Uani 1 1 d . . .
H7A H 0.5228 0.4359 0.1962 0.040 Uiso 1 1 calc R . .
H7B H 0.5620 0.5027 0.1831 0.040 Uiso 1 1 calc R . .
C8 C 0.63279(18) 0.42258(18) 0.20611(16) 0.0449(8) Uani 1 1 d . . .
H8A H 0.6767 0.4509 0.2165 0.067 Uiso 1 1 calc R . .
H8B H 0.6216 0.4056 0.1594 0.067 Uiso 1 1 calc R . .
H8C H 0.6419 0.3851 0.2381 0.067 Uiso 1 1 calc R . .
C9 C 0.65880(16) 0.54578(15) 0.31696(14) 0.0340(6) Uani 1 1 d . . .
H9A H 0.7038 0.5181 0.3278 0.041 Uiso 1 1 calc R . .
H9B H 0.6555 0.5709 0.2747 0.041 Uiso 1 1 calc R . .
C10 C 0.66590(17) 0.59517(15) 0.37540(15) 0.0385(7) Uani 1 1 d . . .
H10A H 0.6277 0.6294 0.3608 0.058 Uiso 1 1 calc R . .
H10B H 0.7145 0.6162 0.3877 0.058 Uiso 1 1 calc R . .
H10C H 0.6600 0.5715 0.4151 0.058 Uiso 1 1 calc R . .
C11 C 0.50274(16) 0.55184(15) 0.28371(15) 0.0363(6) Uani 1 1 d . . .
H11A H 0.5181 0.5918 0.2633 0.044 Uiso 1 1 calc R . .
H11B H 0.4594 0.5328 0.2491 0.044 Uiso 1 1 calc R . .
C12 C 0.47903(18) 0.57393(16) 0.34449(18) 0.0448(7) Uani 1 1 d . . .
H12A H 0.4700 0.5347 0.3692 0.067 Uiso 1 1 calc R . .
H12B H 0.4338 0.6003 0.3285 0.067 Uiso 1 1 calc R . .
H12C H 0.5180 0.6011 0.3750 0.067 Uiso 1 1 calc R . .
C13 C 0.70154(13) 0.43020(13) 0.44356(12) 0.0228(5) Uani 1 1 d . . .
H13 H 0.7219 0.4725 0.4393 0.027 Uiso 1 1 calc R . .
C14 C 0.65770(12) 0.42089(12) 0.48716(11) 0.0205(5) Uani 1 1 d . . .
H14 H 0.6528 0.4552 0.5172 0.025 Uiso 1 1 calc R . .
C15 C 0.62154(12) 0.35987(12) 0.48514(11) 0.0174(4) Uani 1 1 d . . .
H15 H 0.5808 0.3579 0.5026 0.021 Uiso 1 1 calc R . .
C16 C 0.64359(11) 0.29907(12) 0.45743(11) 0.0161(4) Uani 1 1 d . . .
C17 C 0.62576(12) 0.23735(11) 0.47587(10) 0.0154(4) Uani 1 1 d . . .
C18 C 0.64698(13) 0.24557(12) 0.59913(11) 0.0200(5) Uani 1 1 d . . .
C19 C 0.72279(14) 0.24343(14) 0.60923(12) 0.0274(5) Uani 1 1 d . . .
H19 H 0.7404 0.2343 0.5716 0.033 Uiso 1 1 calc R . .
C20 C 0.77241(15) 0.25429(15) 0.67273(13) 0.0329(6) Uani 1 1 d . . .
H20 H 0.8237 0.2528 0.6783 0.040 Uiso 1 1 calc R . .
C21 C 0.74858(17) 0.26728(16) 0.72789(14) 0.0380(7) Uani 1 1 d . . .
H21 H 0.7829 0.2738 0.7718 0.046 Uiso 1 1 calc R . .
C22 C 0.67355(17) 0.27081(17) 0.71856(14) 0.0408(7) Uani 1 1 d . . .
H22 H 0.6565 0.2807 0.7564 0.049 Uiso 1 1 calc R . .
C23 C 0.62296(15) 0.26008(14) 0.65469(13) 0.0296(6) Uani 1 1 d . . .
H23 H 0.5717 0.2627 0.6492 0.035 Uiso 1 1 calc R . .
C24 C 0.41713(12) 0.17003(12) 0.53484(11) 0.0195(5) Uani 1 1 d . . .
C25 C 0.42084(13) 0.15154(13) 0.46224(12) 0.0215(5) Uani 1 1 d . . .
C26 C 0.44552(16) 0.08035(14) 0.45732(14) 0.0313(6) Uani 1 1 d . . .
H26A H 0.4583 0.0747 0.4149 0.047 Uiso 1 1 calc R . .
H26B H 0.4055 0.0498 0.4574 0.047 Uiso 1 1 calc R . .
H26C H 0.4886 0.0706 0.4965 0.047 Uiso 1 1 calc R . .
C27 C 0.35137(14) 0.16747(16) 0.40457(13) 0.0331(6) Uani 1 1 d . . .
H27A H 0.3427 0.2156 0.4028 0.050 Uiso 1 1 calc R . .
H27B H 0.3094 0.1446 0.4126 0.050 Uiso 1 1 calc R . .
H27C H 0.3572 0.1525 0.3611 0.050 Uiso 1 1 calc R . .
C28 C 0.39216(13) 0.11426(13) 0.57160(12) 0.0243(5) Uani 1 1 d . . .
H28A H 0.4272 0.0773 0.5787 0.037 Uiso 1 1 calc R . .
H28B H 0.3434 0.0990 0.5441 0.037 Uiso 1 1 calc R . .
H28C H 0.3897 0.1302 0.6159 0.037 Uiso 1 1 calc R . .
C29 C 0.37312(14) 0.23264(13) 0.53698(13) 0.0272(5) Uani 1 1 d . . .
H29A H 0.3808 0.2457 0.5846 0.041 Uiso 1 1 calc R . .
H29B H 0.3207 0.2240 0.5149 0.041 Uiso 1 1 calc R . .
H29C H 0.3895 0.2686 0.5129 0.041 Uiso 1 1 calc R . .
C30 C 0.63952(11) 0.17344(11) 0.44776(11) 0.0158(4) Uani 1 1 d . . .
C31 C 0.65795(12) 0.11664(12) 0.48948(12) 0.0198(5) Uani 1 1 d . . .
H31 H 0.6603 0.1198 0.5362 0.024 Uiso 1 1 calc R . .
C32 C 0.67269(13) 0.05648(13) 0.46427(13) 0.0249(5) Uani 1 1 d . . .
H32 H 0.6857 0.0192 0.4939 0.030 Uiso 1 1 calc R . .
C33 C 0.66874(14) 0.04985(13) 0.39564(13) 0.0259(5) Uani 1 1 d . . .
H33 H 0.6795 0.0085 0.3783 0.031 Uiso 1 1 calc R . .
C34 C 0.64879(13) 0.10480(13) 0.35329(12) 0.0235(5) Uani 1 1 d . . .
H34 H 0.6456 0.1010 0.3064 0.028 Uiso 1 1 calc R . .
C35 C 0.63346(12) 0.16500(12) 0.37837(11) 0.0192(5) Uani 1 1 d . . .
H35 H 0.6185 0.2016 0.3480 0.023 Uiso 1 1 calc R . .
C36 C 0.68637(12) 0.31199(12) 0.41057(11) 0.0195(5) Uani 1 1 d . . .
H36 H 0.6948 0.2769 0.3829 0.023 Uiso 1 1 calc R . .
C37 C 0.71450(12) 0.37405(12) 0.40582(12) 0.0211(5) Uani 1 1 d . . .
H37 H 0.7438 0.3800 0.3762 0.025 Uiso 1 1 calc R . .
B1 B 0.52526(14) 0.20485(13) 0.52138(12) 0.0172(5) Uani 1 1 d . . .
Rh2 Rh 0.101459(9) 0.419778(9) 0.378369(8) 0.01604(5) Uani 1 1 d . . .
P3 P -0.01909(3) 0.40087(3) 0.33365(3) 0.02098(13) Uani 1 1 d . . .
P4 P 0.11526(3) 0.48621(3) 0.29541(3) 0.02105(13) Uani 1 1 d . . .
O3 O -0.01737(8) 0.19667(8) 0.45557(8) 0.0198(3) Uani 1 1 d . . .
O4 O -0.02106(8) 0.20265(9) 0.56613(8) 0.0216(3) Uani 1 1 d . . .
N2 N 0.08771(10) 0.24794(10) 0.53866(9) 0.0182(4) Uani 1 1 d . . .
C38 C -0.06465(14) 0.37042(13) 0.39509(13) 0.0263(5) Uani 1 1 d . . .
H38A H -0.1153 0.3561 0.3698 0.032 Uiso 1 1 calc R . .
H38B H -0.0377 0.3310 0.4190 0.032 Uiso 1 1 calc R . .
C39 C -0.06846(17) 0.42217(15) 0.44787(15) 0.0363(6) Uani 1 1 d . . .
H39A H -0.0188 0.4386 0.4713 0.054 Uiso 1 1 calc R . .
H39B H -0.0894 0.4020 0.4812 0.054 Uiso 1 1 calc R . .
H39C H -0.0996 0.4593 0.4251 0.054 Uiso 1 1 calc R . .
C40 C -0.04792(14) 0.33763(14) 0.26663(13) 0.0305(6) Uani 1 1 d . . .
H40A H -0.1016 0.3305 0.2556 0.037 Uiso 1 1 calc R . .
H40B H -0.0380 0.3541 0.2249 0.037 Uiso 1 1 calc R . .
C41 C -0.00846(16) 0.27135(14) 0.28729(15) 0.0358(6) Uani 1 1 d . . .
H41A H 0.0448 0.2782 0.2992 0.054 Uiso 1 1 calc R . .
H41B H -0.0242 0.2400 0.2491 0.054 Uiso 1 1 calc R . .
H41C H -0.0207 0.2533 0.3268 0.054 Uiso 1 1 calc R . .
C42 C -0.07763(14) 0.47236(15) 0.29410(15) 0.0340(6) Uani 1 1 d . . .
H42A H -0.0678 0.5090 0.3279 0.041 Uiso 1 1 calc R . .
H42B H -0.0617 0.4878 0.2551 0.041 Uiso 1 1 calc R . .
C43 C -0.16108(15) 0.46110(18) 0.26839(18) 0.0466(8) Uani 1 1 d . . .
H43A H -0.1724 0.4259 0.2337 0.070 Uiso 1 1 calc R . .
H43B H -0.1856 0.5024 0.2484 0.070 Uiso 1 1 calc R . .
H43C H -0.1786 0.4478 0.3067 0.070 Uiso 1 1 calc R . .
C44 C 0.21339(14) 0.49935(13) 0.30171(13) 0.0265(5) Uani 1 1 d . . .
H44A H 0.2371 0.5224 0.3455 0.032 Uiso 1 1 calc R . .
H44B H 0.2368 0.4550 0.3046 0.032 Uiso 1 1 calc R . .
C45 C 0.23182(16) 0.53823(16) 0.24543(15) 0.0365(7) Uani 1 1 d . . .
H45A H 0.2111 0.5153 0.2017 0.055 Uiso 1 1 calc R . .
H45B H 0.2854 0.5414 0.2558 0.055 Uiso 1 1 calc R . .
H45C H 0.2108 0.5830 0.2426 0.055 Uiso 1 1 calc R . .
C46 C 0.08183(15) 0.57200(14) 0.29128(15) 0.0325(6) Uani 1 1 d . . .
H46A H 0.0999 0.5972 0.2582 0.039 Uiso 1 1 calc R . .
H46B H 0.0274 0.5718 0.2742 0.039 Uiso 1 1 calc R . .
C47 C 0.1063(2) 0.60739(16) 0.35986(18) 0.0485(8) Uani 1 1 d . . .
H47A H 0.0877 0.5832 0.3927 0.073 Uiso 1 1 calc R . .
H47B H 0.0866 0.6528 0.3546 0.073 Uiso 1 1 calc R . .
H47C H 0.1601 0.6090 0.3765 0.073 Uiso 1 1 calc R . .
C48 C 0.07659(14) 0.45929(15) 0.20635(12) 0.0294(6) Uani 1 1 d . . .
H48A H 0.0224 0.4564 0.1949 0.035 Uiso 1 1 calc R . .
H48B H 0.0882 0.4929 0.1760 0.035 Uiso 1 1 calc R . .
C49 C 0.10684(16) 0.39175(17) 0.19349(14) 0.0388(7) Uani 1 1 d . . .
H49A H 0.1582 0.3968 0.1941 0.058 Uiso 1 1 calc R . .
H49B H 0.0775 0.3747 0.1489 0.058 Uiso 1 1 calc R . .
H49C H 0.1043 0.3604 0.2292 0.058 Uiso 1 1 calc R . .
C50 C 0.16466(13) 0.42728(12) 0.48570(11) 0.0200(5) Uani 1 1 d . . .
H50 H 0.1594 0.4642 0.5126 0.024 Uiso 1 1 calc R . .
C51 C 0.12304(12) 0.36914(12) 0.48285(10) 0.0171(4) Uani 1 1 d . . .
H51 H 0.0774 0.3719 0.4923 0.021 Uiso 1 1 calc R . .
C52 C 0.14796(12) 0.30389(12) 0.46561(11) 0.0182(4) Uani 1 1 d . . .
C53 C 0.12758(12) 0.24584(12) 0.48848(11) 0.0180(4) Uani 1 1 d . . .
C54 C 0.12410(13) 0.27362(12) 0.60492(11) 0.0210(5) Uani 1 1 d . . .
C55 C 0.20029(13) 0.26982(13) 0.63282(12) 0.0239(5) Uani 1 1 d . . .
H55 H 0.2290 0.2507 0.6071 0.029 Uiso 1 1 calc R . .
C56 C 0.23433(14) 0.29382(14) 0.69806(13) 0.0290(6) Uani 1 1 d . . .
H56 H 0.2863 0.2909 0.7166 0.035 Uiso 1 1 calc R . .
C57 C 0.19368(15) 0.32194(15) 0.73667(13) 0.0313(6) Uani 1 1 d . . .
H57 H 0.2173 0.3376 0.7816 0.038 Uiso 1 1 calc R . .
C58 C 0.11780(15) 0.32682(15) 0.70852(13) 0.0315(6) Uani 1 1 d . . .
H58 H 0.0894 0.3464 0.7343 0.038 Uiso 1 1 calc R . .
C59 C 0.08333(14) 0.30347(14) 0.64342(13) 0.0272(5) Uani 1 1 d . . .
H59 H 0.0315 0.3077 0.6246 0.033 Uiso 1 1 calc R . .
C60 C -0.07633(13) 0.15252(13) 0.46012(12) 0.0232(5) Uani 1 1 d . . .
C61 C -0.09302(12) 0.17975(12) 0.52460(12) 0.0212(5) Uani 1 1 d . . .
C62 C -0.12156(14) 0.12830(14) 0.56448(13) 0.0294(6) Uani 1 1 d . . .
H62A H -0.0842 0.0938 0.5815 0.044 Uiso 1 1 calc R . .
H62B H -0.1666 0.1080 0.5346 0.044 Uiso 1 1 calc R . .
H62C H -0.1324 0.1499 0.6031 0.044 Uiso 1 1 calc R . .
C63 C -0.14363(14) 0.23998(14) 0.50929(14) 0.0294(6) Uani 1 1 d . . .
H63A H -0.1441 0.2609 0.5522 0.044 Uiso 1 1 calc R . .
H63B H -0.1936 0.2259 0.4838 0.044 Uiso 1 1 calc R . .
H63C H -0.1258 0.2720 0.4819 0.044 Uiso 1 1 calc R . .
C64 C -0.04446(17) 0.08274(14) 0.46910(17) 0.0373(7) Uani 1 1 d . . .
H64A H -0.0241 0.0727 0.4318 0.056 Uiso 1 1 calc R . .
H64B H -0.0834 0.0506 0.4685 0.056 Uiso 1 1 calc R . .
H64C H -0.0054 0.0798 0.5128 0.056 Uiso 1 1 calc R . .
C65 C -0.13918(15) 0.15865(18) 0.39481(14) 0.0403(7) Uani 1 1 d . . .
H65A H -0.1533 0.2055 0.3866 0.061 Uiso 1 1 calc R . .
H65B H -0.1813 0.1329 0.3988 0.061 Uiso 1 1 calc R . .
H65C H -0.1237 0.1415 0.3566 0.061 Uiso 1 1 calc R . .
C66 C 0.14335(12) 0.17835(12) 0.46883(12) 0.0201(5) Uani 1 1 d . . .
C67 C 0.16326(13) 0.12718(13) 0.51782(13) 0.0239(5) Uani 1 1 d . . .
H67 H 0.1670 0.1368 0.5640 0.029 Uiso 1 1 calc R . .
C68 C 0.17742(14) 0.06331(14) 0.50020(15) 0.0300(6) Uani 1 1 d . . .
H68 H 0.1913 0.0299 0.5344 0.036 Uiso 1 1 calc R . .
C69 C 0.17150(15) 0.04757(13) 0.43316(15) 0.0319(6) Uani 1 1 d . . .
H69 H 0.1814 0.0037 0.4211 0.038 Uiso 1 1 calc R . .
C70 C 0.15086(15) 0.09681(13) 0.38400(14) 0.0298(6) Uani 1 1 d . . .
H70 H 0.1463 0.0864 0.3378 0.036 Uiso 1 1 calc R . .
C71 C 0.13675(13) 0.16097(13) 0.40115(13) 0.0245(5) Uani 1 1 d . . .
H71 H 0.1223 0.1938 0.3664 0.029 Uiso 1 1 calc R . .
C72 C 0.19829(12) 0.30892(12) 0.42485(12) 0.0212(5) Uani 1 1 d . . .
H72 H 0.2097 0.2703 0.4034 0.025 Uiso 1 1 calc R . .
C73 C 0.22922(12) 0.36831(13) 0.41712(12) 0.0217(5) Uani 1 1 d . . .
H73 H 0.2621 0.3695 0.3904 0.026 Uiso 1 1 calc R . .
C74 C 0.21478(12) 0.42896(12) 0.44705(11) 0.0205(5) Uani 1 1 d . . .
H74 H 0.2382 0.4693 0.4412 0.025 Uiso 1 1 calc R . .
B2 B 0.01772(14) 0.21694(13) 0.52115(12) 0.0176(5) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 C13 2.201(2) . ?
Rh1 C14 2.212(2) . ?
Rh1 P2 2.2299(6) . ?
Rh1 P1 2.2477(6) . ?
Rh1 C15 2.312(2) . ?
Rh1 C37 2.437(2) . ?
P1 C1 1.830(2) . ?
P1 C3 1.838(3) . ?
P1 C5 1.843(3) . ?
P2 C11 1.840(3) . ?
P2 C9 1.847(3) . ?
P2 C7 1.851(3) . ?
O1 B1 1.378(3) . ?
O1 C24 1.463(3) . ?
O2 B1 1.378(3) . ?
O2 C25 1.458(3) . ?
N1 C18 1.424(3) . ?
N1 B1 1.423(3) . ?
N1 C17 1.452(2) . ?
C1 C2 1.527(3) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.519(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.525(3) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.517(4) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.532(4) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.518(4) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.411(3) . ?
C13 C37 1.432(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.401(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.463(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.370(3) . ?
C16 C36 1.461(3) . ?
C17 C30 1.464(3) . ?
C18 C23 1.384(3) . ?
C18 C19 1.397(3) . ?
C19 C20 1.377(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.368(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.386(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.390(4) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C24 C28 1.507(3) . ?
C24 C29 1.520(3) . ?
C24 C25 1.560(3) . ?
C25 C27 1.520(3) . ?
C25 C26 1.519(4) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C35 1.406(3) . ?
C30 C31 1.407(3) . ?
C31 C32 1.377(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.396(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.386(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.381(3) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
C36 C37 1.373(3) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
Rh2 C50 2.175(2) . ?
Rh2 C74 2.201(2) . ?
Rh2 P3 2.2340(6) . ?
Rh2 P4 2.2427(6) . ?
Rh2 C51 2.298(2) . ?
Rh2 C73 2.542(2) . ?
P3 C40 1.832(3) . ?
P3 C38 1.840(2) . ?
P3 C42 1.849(3) . ?
P4 C46 1.831(3) . ?
P4 C48 1.835(3) . ?
P4 C44 1.854(2) . ?
O3 B2 1.372(3) . ?
O3 C60 1.457(3) . ?
O4 B2 1.378(3) . ?
O4 C61 1.454(3) . ?
N2 B2 1.417(3) . ?
N2 C54 1.425(3) . ?
N2 C53 1.455(3) . ?
C38 C39 1.520(4) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C41 1.525(4) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 C43 1.534(4) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 C45 1.522(3) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 C47 1.520(4) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 C49 1.529(4) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 C51 1.403(3) . ?
C50 C74 1.416(3) . ?
C50 H50 0.9500 . ?
C51 C52 1.474(3) . ?
C51 H51 0.9500 . ?
C52 C53 1.358(3) . ?
C52 C72 1.456(3) . ?
C53 C66 1.472(3) . ?
C54 C55 1.393(3) . ?
C54 C59 1.401(3) . ?
C55 C56 1.387(4) . ?
C55 H55 0.9500 . ?
C56 C57 1.386(4) . ?
C56 H56 0.9500 . ?
C57 C58 1.389(4) . ?
C57 H57 0.9500 . ?
C58 C59 1.382(4) . ?
C58 H58 0.9500 . ?
C59 H59 0.9500 . ?
C60 C65 1.509(4) . ?
C60 C64 1.517(4) . ?
C60 C61 1.553(3) . ?
C61 C62 1.519(3) . ?
C61 C63 1.520(4) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 C71 1.402(3) . ?
C66 C67 1.408(3) . ?
C67 C68 1.382(4) . ?
C67 H67 0.9500 . ?
C68 C69 1.384(4) . ?
C68 H68 0.9500 . ?
C69 C70 1.383(4) . ?
C69 H69 0.9500 . ?
C70 C71 1.385(4) . ?
C70 H70 0.9500 . ?
C71 H71 0.9500 . ?
C72 C73 1.362(3) . ?
C72 H72 0.9500 . ?
C73 C74 1.429(3) . ?
C73 H73 0.9500 . ?
C74 H74 0.9500 . ?

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
C13 Rh1 C14 37.29(8) . . ?
C13 Rh1 P2 99.44(7) . . ?
C14 Rh1 P2 123.99(6) . . ?
C13 Rh1 P1 161.64(7) . . ?
C14 Rh1 P1 127.50(6) . . ?
P2 Rh1 P1 98.87(2) . . ?
C13 Rh1 C15 64.72(8) . . ?
C14 Rh1 C15 35.99(8) . . ?
P2 Rh1 C15 159.83(6) . . ?
P1 Rh1 C15 97.12(6) . . ?
C13 Rh1 C37 35.53(9) . . ?
C14 Rh1 C37 63.08(8) . . ?
P2 Rh1 C37 103.83(6) . . ?
P1 Rh1 C37 138.77(6) . . ?
C15 Rh1 C37 71.08(7) . . ?
C1 P1 C3 99.41(11) . . ?
C1 P1 C5 102.39(11) . . ?
C3 P1 C5 102.56(11) . . ?
C1 P1 Rh1 113.84(8) . . ?
C3 P1 Rh1 113.05(8) . . ?
C5 P1 Rh1 122.52(8) . . ?
C11 P2 C9 101.06(14) . . ?
C11 P2 C7 99.77(14) . . ?
C9 P2 C7 100.62(13) . . ?
C11 P2 Rh1 120.20(10) . . ?
C9 P2 Rh1 114.55(9) . . ?
C7 P2 Rh1 117.47(10) . . ?
B1 O1 C24 106.14(17) . . ?
B1 O2 C25 105.84(17) . . ?
C18 N1 B1 124.70(17) . . ?
C18 N1 C17 116.60(17) . . ?
B1 N1 C17 117.74(18) . . ?
C2 C1 P1 114.52(18) . . ?
C2 C1 H1A 108.6 . . ?
P1 C1 H1A 108.6 . . ?
C2 C1 H1B 108.6 . . ?
P1 C1 H1B 108.6 . . ?
H1A C1 H1B 107.6 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C3 P1 113.63(17) . . ?
C4 C3 H3A 108.8 . . ?
P1 C3 H3A 108.8 . . ?
C4 C3 H3B 108.8 . . ?
P1 C3 H3B 108.8 . . ?
H3A C3 H3B 107.7 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 P1 117.43(18) . . ?
C6 C5 H5A 107.9 . . ?
P1 C5 H5A 107.9 . . ?
C6 C5 H5B 107.9 . . ?
P1 C5 H5B 107.9 . . ?
H5A C5 H5B 107.2 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 P2 114.0(2) . . ?
C8 C7 H7A 108.8 . . ?
P2 C7 H7A 108.8 . . ?
C8 C7 H7B 108.8 . . ?
P2 C7 H7B 108.8 . . ?
H7A C7 H7B 107.7 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 P2 113.5(2) . . ?
C10 C9 H9A 108.9 . . ?
P2 C9 H9A 108.9 . . ?
C10 C9 H9B 108.9 . . ?
P2 C9 H9B 108.9 . . ?
H9A C9 H9B 107.7 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 P2 116.4(2) . . ?
C12 C11 H11A 108.2 . . ?
P2 C11 H11A 108.2 . . ?
C12 C11 H11B 108.2 . . ?
P2 C11 H11B 108.2 . . ?
H11A C11 H11B 107.3 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C37 118.2(2) . . ?
C14 C13 Rh1 71.79(13) . . ?
C37 C13 Rh1 81.26(14) . . ?
C14 C13 H13 120.9 . . ?
C37 C13 H13 120.9 . . ?
Rh1 C13 H13 116.9 . . ?
C15 C14 C13 118.6(2) . . ?
C15 C14 Rh1 75.91(13) . . ?
C13 C14 Rh1 70.92(13) . . ?
C15 C14 H14 120.7 . . ?
C13 C14 H14 120.7 . . ?
Rh1 C14 H14 123.9 . . ?
C14 C15 C16 123.07(19) . . ?
C14 C15 Rh1 68.10(12) . . ?
C16 C15 Rh1 92.64(13) . . ?
C14 C15 H15 118.5 . . ?
C16 C15 H15 118.5 . . ?
Rh1 C15 H15 110.1 . . ?
C17 C16 C36 125.3(2) . . ?
C17 C16 C15 121.61(18) . . ?
C36 C16 C15 113.1(2) . . ?
C16 C17 N1 118.11(19) . . ?
C16 C17 C30 126.58(18) . . ?
N1 C17 C30 115.03(18) . . ?
C23 C18 C19 118.0(2) . . ?
C23 C18 N1 121.7(2) . . ?
C19 C18 N1 120.3(2) . . ?
C20 C19 C18 121.2(2) . . ?
C20 C19 H19 119.4 . . ?
C18 C19 H19 119.4 . . ?
C21 C20 C19 120.7(3) . . ?
C21 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
C20 C21 C22 118.9(3) . . ?
C20 C21 H21 120.6 . . ?
C22 C21 H21 120.6 . . ?
C21 C22 C23 121.0(2) . . ?
C21 C22 H22 119.5 . . ?
C23 C22 H22 119.5 . . ?
C18 C23 C22 120.2(2) . . ?
C18 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
O1 C24 C28 109.02(19) . . ?
O1 C24 C29 106.70(19) . . ?
C28 C24 C29 109.89(19) . . ?
O1 C24 C25 101.80(16) . . ?
C28 C24 C25 114.5(2) . . ?
C29 C24 C25 114.2(2) . . ?
O2 C25 C27 108.78(19) . . ?
O2 C25 C26 106.51(19) . . ?
C27 C25 C26 111.1(2) . . ?
O2 C25 C24 102.00(17) . . ?
C27 C25 C24 114.5(2) . . ?
C26 C25 C24 113.1(2) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C24 C28 H28A 109.5 . . ?
C24 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C24 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C24 C29 H29A 109.5 . . ?
C24 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C24 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C35 C30 C31 116.7(2) . . ?
C35 C30 C17 122.5(2) . . ?
C31 C30 C17 120.86(19) . . ?
C32 C31 C30 121.7(2) . . ?
C32 C31 H31 119.2 . . ?
C30 C31 H31 119.2 . . ?
C31 C32 C33 120.6(2) . . ?
C31 C32 H32 119.7 . . ?
C33 C32 H32 119.7 . . ?
C34 C33 C32 118.6(2) . . ?
C34 C33 H33 120.7 . . ?
C32 C33 H33 120.7 . . ?
C35 C34 C33 120.8(2) . . ?
C35 C34 H34 119.6 . . ?
C33 C34 H34 119.6 . . ?
C34 C35 C30 121.5(2) . . ?
C34 C35 H35 119.2 . . ?
C30 C35 H35 119.2 . . ?
C37 C36 C16 121.1(2) . . ?
C37 C36 H36 119.5 . . ?
C16 C36 H36 119.5 . . ?
C36 C37 C13 122.8(2) . . ?
C36 C37 Rh1 85.21(14) . . ?
C13 C37 Rh1 63.22(12) . . ?
C36 C37 H37 118.6 . . ?
C13 C37 H37 118.6 . . ?
Rh1 C37 H37 123.9 . . ?
O1 B1 O2 113.4(2) . . ?
O1 B1 N1 125.9(2) . . ?
O2 B1 N1 120.69(19) . . ?
C50 Rh2 C74 37.75(8) . . ?
C50 Rh2 P3 127.86(6) . . ?
C74 Rh2 P3 164.90(6) . . ?
C50 Rh2 P4 124.97(6) . . ?
C74 Rh2 P4 96.84(6) . . ?
P3 Rh2 P4 97.56(2) . . ?
C50 Rh2 C51 36.45(8) . . ?
C74 Rh2 C51 64.84(8) . . ?
P3 Rh2 C51 100.35(6) . . ?
P4 Rh2 C51 160.90(6) . . ?
C50 Rh2 C73 61.74(8) . . ?
C74 Rh2 C73 34.12(8) . . ?
P3 Rh2 C73 145.93(6) . . ?
P4 Rh2 C73 99.11(5) . . ?
C51 Rh2 C73 69.13(7) . . ?
C40 P3 C38 100.88(12) . . ?
C40 P3 C42 101.82(14) . . ?
C38 P3 C42 102.27(12) . . ?
C40 P3 Rh2 117.65(9) . . ?
C38 P3 Rh2 114.51(9) . . ?
C42 P3 Rh2 117.21(9) . . ?
C46 P4 C48 101.67(13) . . ?
C46 P4 C44 101.46(12) . . ?
C48 P4 C44 101.75(12) . . ?
C46 P4 Rh2 118.45(9) . . ?
C48 P4 Rh2 118.58(9) . . ?
C44 P4 Rh2 112.33(8) . . ?
B2 O3 C60 105.88(17) . . ?
B2 O4 C61 105.95(17) . . ?
B2 N2 C54 123.40(18) . . ?
B2 N2 C53 117.46(19) . . ?
C54 N2 C53 118.71(18) . . ?
C39 C38 P3 113.35(18) . . ?
C39 C38 H38A 108.9 . . ?
P3 C38 H38A 108.9 . . ?
C39 C38 H38B 108.9 . . ?
P3 C38 H38B 108.9 . . ?
H38A C38 H38B 107.7 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C41 C40 P3 112.73(18) . . ?
C41 C40 H40A 109.0 . . ?
P3 C40 H40A 109.0 . . ?
C41 C40 H40B 109.0 . . ?
P3 C40 H40B 109.0 . . ?
H40A C40 H40B 107.8 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C43 C42 P3 117.5(2) . . ?
C43 C42 H42A 107.9 . . ?
P3 C42 H42A 107.9 . . ?
C43 C42 H42B 107.9 . . ?
P3 C42 H42B 107.9 . . ?
H42A C42 H42B 107.2 . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C45 C44 P4 118.70(19) . . ?
C45 C44 H44A 107.6 . . ?
P4 C44 H44A 107.6 . . ?
C45 C44 H44B 107.6 . . ?
P4 C44 H44B 107.6 . . ?
H44A C44 H44B 107.1 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C47 C46 P4 113.1(2) . . ?
C47 C46 H46A 109.0 . . ?
P4 C46 H46A 109.0 . . ?
C47 C46 H46B 109.0 . . ?
P4 C46 H46B 109.0 . . ?
H46A C46 H46B 107.8 . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C49 C48 P4 112.06(18) . . ?
C49 C48 H48A 109.2 . . ?
P4 C48 H48A 109.2 . . ?
C49 C48 H48B 109.2 . . ?
P4 C48 H48B 109.2 . . ?
H48A C48 H48B 107.9 . . ?
C48 C49 H49A 109.5 . . ?
C48 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C48 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C51 C50 C74 117.8(2) . . ?
C51 C50 Rh2 76.56(13) . . ?
C74 C50 Rh2 72.15(13) . . ?
C51 C50 H50 121.1 . . ?
C74 C50 H50 121.1 . . ?
Rh2 C50 H50 121.4 . . ?
C50 C51 C52 122.1(2) . . ?
C50 C51 Rh2 66.99(12) . . ?
C52 C51 Rh2 98.56(13) . . ?
C50 C51 H51 119.0 . . ?
C52 C51 H51 119.0 . . ?
Rh2 C51 H51 104.5 . . ?
C53 C52 C72 124.5(2) . . ?
C53 C52 C51 122.30(19) . . ?
C72 C52 C51 113.1(2) . . ?
C52 C53 N2 119.1(2) . . ?
C52 C53 C66 126.38(19) . . ?
N2 C53 C66 114.52(19) . . ?
C55 C54 C59 118.6(2) . . ?
C55 C54 N2 121.2(2) . . ?
C59 C54 N2 120.1(2) . . ?
C56 C55 C54 120.2(2) . . ?
C56 C55 H55 119.9 . . ?
C54 C55 H55 119.9 . . ?
C55 C56 C57 121.1(2) . . ?
C55 C56 H56 119.5 . . ?
C57 C56 H56 119.5 . . ?
C56 C57 C58 118.8(2) . . ?
C56 C57 H57 120.6 . . ?
C58 C57 H57 120.6 . . ?
C59 C58 C57 120.6(2) . . ?
C59 C58 H58 119.7 . . ?
C57 C58 H58 119.7 . . ?
C58 C59 C54 120.6(2) . . ?
C58 C59 H59 119.7 . . ?
C54 C59 H59 119.7 . . ?
O3 C60 C65 108.3(2) . . ?
O3 C60 C64 106.40(19) . . ?
C65 C60 C64 111.4(2) . . ?
O3 C60 C61 101.64(18) . . ?
C65 C60 C61 114.7(2) . . ?
C64 C60 C61 113.6(2) . . ?
O4 C61 C62 109.11(19) . . ?
O4 C61 C63 107.2(2) . . ?
C62 C61 C63 110.2(2) . . ?
O4 C61 C60 102.22(17) . . ?
C62 C61 C60 114.8(2) . . ?
C63 C61 C60 112.7(2) . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C61 C63 H63A 109.5 . . ?
C61 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C61 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C60 C64 H64A 109.5 . . ?
C60 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C60 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C60 C65 H65A 109.5 . . ?
C60 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
C60 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C71 C66 C67 116.8(2) . . ?
C71 C66 C53 122.5(2) . . ?
C67 C66 C53 120.7(2) . . ?
C68 C67 C66 121.5(2) . . ?
C68 C67 H67 119.3 . . ?
C66 C67 H67 119.3 . . ?
C67 C68 C69 120.6(2) . . ?
C67 C68 H68 119.7 . . ?
C69 C68 H68 119.7 . . ?
C68 C69 C70 118.9(2) . . ?
C68 C69 H69 120.6 . . ?
C70 C69 H69 120.6 . . ?
C71 C70 C69 121.0(2) . . ?
C71 C70 H70 119.5 . . ?
C69 C70 H70 119.5 . . ?
C70 C71 C66 121.2(2) . . ?
C70 C71 H71 119.4 . . ?
C66 C71 H71 119.4 . . ?
C73 C72 C52 120.8(2) . . ?
C73 C72 H72 119.6 . . ?
C52 C72 H72 119.6 . . ?
C72 C73 C74 123.4(2) . . ?
C72 C73 Rh2 89.17(14) . . ?
C74 C73 Rh2 59.78(12) . . ?
C72 C73 H73 118.3 . . ?
C74 C73 H73 118.3 . . ?
Rh2 C73 H73 123.1 . . ?
C50 C74 C73 118.1(2) . . ?
C50 C74 Rh2 70.10(13) . . ?
C73 C74 Rh2 86.10(14) . . ?
C50 C74 H74 120.9 . . ?
C73 C74 H74 120.9 . . ?
Rh2 C74 H74 113.4 . . ?
O3 B2 O4 113.3(2) . . ?
O3 B2 N2 121.42(19) . . ?
O4 B2 N2 125.2(2) . . ?

_diffrn_measured_fraction_theta_max .980
_diffrn_reflns_theta_full        26.85
_diffrn_measured_fraction_theta_full .980
_refine_diff_density_max         .798
_refine_diff_density_min         -1.178
_refine_diff_density_rms         .064
_database_code_depnum_ccdc_archive 'CCDC 977665'

data_complex8_sk271b

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C37 H55 B N O2 P2 Rh'
_chemical_formula_sum            'C37 H55 B N O2 P2 Rh'
_chemical_formula_weight         721.48

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'
B B 0.0013 0.0007 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/n
_symmetry_space_group_name_Hall  '-P 2yn'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   15.1541(5)
_cell_length_b                   13.2907(5)
_cell_length_c                   18.0052(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 95.441(2)
_cell_angle_gamma                90.00
_cell_volume                     3610.1(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    30467
_cell_measurement_theta_min      3.27
_cell_measurement_theta_max      29.43

_exptl_crystal_description       fragment
_exptl_crystal_colour            'dark red'
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.327
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1520
_exptl_absorpt_coefficient_mu    0.594
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8904
_exptl_absorpt_correction_T_max  0.9652
_exptl_absorpt_process_details   'PLATON, 1990'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'STPOE IPDS 2theta'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        'no decay'
_diffrn_reflns_number            35936
_diffrn_reflns_av_R_equivalents  0.0961
_diffrn_reflns_av_sigmaI/netI    0.0888
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.27
_diffrn_reflns_theta_max         29.23
_reflns_number_total             9707
_reflns_number_gt                6766
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED (Stoe & Cie, 2002)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics    'PLATON, 1990'
_computing_publication_material  'PLATON, 1990'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0287P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9707
_refine_ls_number_parameters     407
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0840
_refine_ls_R_factor_gt           0.0462
_refine_ls_wR_factor_ref         0.0777
_refine_ls_wR_factor_gt          0.0700
_refine_ls_goodness_of_fit_ref   0.943
_refine_ls_restrained_S_all      0.943
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Rh1 Rh 0.221598(13) -0.063832(15) 0.430481(13) 0.01298(5) Uani 1 1 d . . .
P1 P 0.26594(4) -0.22338(5) 0.43750(4) 0.01497(14) Uani 1 1 d . . .
P2 P 0.22855(4) -0.04094(5) 0.55402(4) 0.01474(14) Uani 1 1 d . . .
O1 O 0.21717(11) 0.43091(15) 0.53674(10) 0.0175(4) Uani 1 1 d . . .
O2 O 0.31956(12) 0.30222(14) 0.54451(12) 0.0179(4) Uani 1 1 d . . .
N1 N 0.20679(14) 0.30061(16) 0.43734(14) 0.0148(5) Uani 1 1 d . . .
C1 C 0.36255(17) -0.2564(2) 0.50256(17) 0.0182(6) Uani 1 1 d . . .
H1A H 0.3489 -0.2428 0.5543 0.022 Uiso 1 1 calc R . .
H1B H 0.3750 -0.3292 0.4984 0.022 Uiso 1 1 calc R . .
C2 C 0.44445(17) -0.1965(2) 0.48635(18) 0.0216(6) Uani 1 1 d . . .
H2A H 0.4657 -0.2205 0.4398 0.032 Uiso 1 1 calc R . .
H2B H 0.4911 -0.2055 0.5274 0.032 Uiso 1 1 calc R . .
H2C H 0.4292 -0.1250 0.4815 0.032 Uiso 1 1 calc R . .
C3 C 0.30086(19) -0.2708(2) 0.34852(17) 0.0199(6) Uani 1 1 d . . .
H3A H 0.2506 -0.2620 0.3098 0.024 Uiso 1 1 calc R . .
H3B H 0.3498 -0.2275 0.3344 0.024 Uiso 1 1 calc R . .
C4 C 0.3317(2) -0.3804(2) 0.34589(19) 0.0259(7) Uani 1 1 d . . .
H4A H 0.3809 -0.3914 0.3844 0.039 Uiso 1 1 calc R . .
H4B H 0.3515 -0.3948 0.2967 0.039 Uiso 1 1 calc R . .
H4C H 0.2824 -0.4252 0.3548 0.039 Uiso 1 1 calc R . .
C5 C 0.18295(18) -0.3171(2) 0.45917(18) 0.0205(6) Uani 1 1 d . . .
H5A H 0.2097 -0.3850 0.4588 0.025 Uiso 1 1 calc R . .
H5B H 0.1656 -0.3043 0.5100 0.025 Uiso 1 1 calc R . .
C6 C 0.1003(2) -0.3146(3) 0.4038(2) 0.0304(7) Uani 1 1 d . . .
H6A H 0.0733 -0.2476 0.4041 0.046 Uiso 1 1 calc R . .
H6B H 0.0577 -0.3649 0.4181 0.046 Uiso 1 1 calc R . .
H6C H 0.1167 -0.3297 0.3536 0.046 Uiso 1 1 calc R . .
C7 C 0.18060(18) -0.1365(2) 0.61209(17) 0.0195(6) Uani 1 1 d . . .
H7A H 0.2106 -0.2016 0.6056 0.023 Uiso 1 1 calc R . .
H7B H 0.1919 -0.1169 0.6652 0.023 Uiso 1 1 calc R . .
C8 C 0.08114(18) -0.1498(2) 0.59286(19) 0.0249(7) Uani 1 1 d . . .
H8A H 0.0506 -0.0870 0.6029 0.037 Uiso 1 1 calc R . .
H8B H 0.0595 -0.2039 0.6233 0.037 Uiso 1 1 calc R . .
H8C H 0.0693 -0.1670 0.5399 0.037 Uiso 1 1 calc R . .
C9 C 0.33781(18) -0.0238(2) 0.60656(18) 0.0210(6) Uani 1 1 d . . .
H9A H 0.3291 -0.0054 0.6587 0.025 Uiso 1 1 calc R . .
H9B H 0.3702 -0.0885 0.6077 0.025 Uiso 1 1 calc R . .
C10 C 0.39414(18) 0.0565(2) 0.57400(19) 0.0264(6) Uani 1 1 d . . .
H10A H 0.3974 0.0433 0.5208 0.040 Uiso 1 1 calc R . .
H10B H 0.4540 0.0554 0.6000 0.040 Uiso 1 1 calc R . .
H10C H 0.3674 0.1228 0.5803 0.040 Uiso 1 1 calc R . .
C11 C 0.16846(18) 0.0739(2) 0.57794(17) 0.0217(6) Uani 1 1 d . . .
H11A H 0.1971 0.1322 0.5558 0.026 Uiso 1 1 calc R . .
H11B H 0.1073 0.0694 0.5535 0.026 Uiso 1 1 calc R . .
C12 C 0.1628(2) 0.0960(2) 0.6603(2) 0.0306(7) Uani 1 1 d . . .
H12A H 0.1381 0.0374 0.6842 0.046 Uiso 1 1 calc R . .
H12B H 0.1244 0.1544 0.6654 0.046 Uiso 1 1 calc R . .
H12C H 0.2222 0.1103 0.6844 0.046 Uiso 1 1 calc R . .
C13 C 0.11345(17) -0.0066(2) 0.34824(17) 0.0185(6) Uani 1 1 d . . .
H13 H 0.0538 -0.0295 0.3449 0.022 Uiso 1 1 calc R . .
C14 C 0.17737(17) -0.0585(2) 0.31021(15) 0.0182(5) Uani 1 1 d . . .
H14 H 0.1623 -0.1199 0.2852 0.022 Uiso 1 1 calc R . .
C15 C 0.26477(18) -0.0179(2) 0.30966(16) 0.0180(5) Uani 1 1 d . . .
H15 H 0.3086 -0.0549 0.2869 0.022 Uiso 1 1 calc R . .
C16 C 0.28626(16) 0.0747(2) 0.34188(15) 0.0164(5) Uani 1 1 d . . .
C17 C 0.22159(17) 0.1288(2) 0.38181(16) 0.0163(5) Uani 1 1 d . . .
C18 C 0.13900(16) 0.0790(2) 0.39103(16) 0.0173(5) Uani 1 1 d . . .
H18 H 0.1015 0.1041 0.4262 0.021 Uiso 1 1 calc R . .
C19 C 0.25402(17) 0.22359(19) 0.40145(16) 0.0147(5) Uani 1 1 d . . .
C20 C 0.12672(16) 0.33659(18) 0.39877(16) 0.0146(5) Uani 1 1 d . . .
C21 C 0.06105(17) 0.3833(2) 0.43624(17) 0.0176(5) Uani 1 1 d . . .
H21 H 0.0693 0.3912 0.4889 0.021 Uiso 1 1 calc R . .
C22 C -0.01614(17) 0.4180(2) 0.39681(17) 0.0201(6) Uani 1 1 d . . .
H22 H -0.0602 0.4498 0.4229 0.024 Uiso 1 1 calc R . .
C23 C -0.02990(17) 0.4072(2) 0.32050(18) 0.0204(6) Uani 1 1 d . . .
H23 H -0.0827 0.4318 0.2940 0.025 Uiso 1 1 calc R . .
C24 C 0.03428(18) 0.3602(2) 0.28287(17) 0.0188(6) Uani 1 1 d . . .
H24 H 0.0252 0.3520 0.2303 0.023 Uiso 1 1 calc R . .
C25 C 0.11172(17) 0.3251(2) 0.32154(17) 0.0170(5) Uani 1 1 d . . .
H25 H 0.1551 0.2928 0.2951 0.020 Uiso 1 1 calc R . .
C26 C 0.26494(16) 0.4368(2) 0.61067(15) 0.0178(5) Uani 1 1 d . . .
C27 C 0.35159(18) 0.3783(2) 0.59897(17) 0.0184(5) Uani 1 1 d . . .
C28 C 0.41919(17) 0.4419(2) 0.56195(17) 0.0240(6) Uani 1 1 d . . .
H28A H 0.4639 0.3978 0.5432 0.036 Uiso 1 1 calc R . .
H28B H 0.4481 0.4888 0.5986 0.036 Uiso 1 1 calc R . .
H28C H 0.3889 0.4799 0.5204 0.036 Uiso 1 1 calc R . .
C29 C 0.3951(2) 0.3271(2) 0.66801(19) 0.0268(7) Uani 1 1 d . . .
H29A H 0.3549 0.2760 0.6850 0.040 Uiso 1 1 calc R . .
H29B H 0.4082 0.3771 0.7075 0.040 Uiso 1 1 calc R . .
H29C H 0.4503 0.2949 0.6563 0.040 Uiso 1 1 calc R . .
C30 C 0.27872(17) 0.54667(19) 0.63184(17) 0.0202(6) Uani 1 1 d . . .
H30A H 0.3064 0.5818 0.5922 0.030 Uiso 1 1 calc R . .
H30B H 0.3173 0.5514 0.6786 0.030 Uiso 1 1 calc R . .
H30C H 0.2213 0.5778 0.6384 0.030 Uiso 1 1 calc R . .
C31 C 0.20797(19) 0.3838(2) 0.66380(18) 0.0231(6) Uani 1 1 d . . .
H31A H 0.1484 0.4131 0.6590 0.035 Uiso 1 1 calc R . .
H31B H 0.2347 0.3920 0.7152 0.035 Uiso 1 1 calc R . .
H31C H 0.2041 0.3120 0.6514 0.035 Uiso 1 1 calc R . .
C32 C 0.33815(17) 0.2346(2) 0.37215(16) 0.0153(5) Uani 1 1 d . . .
C33 C 0.36068(17) 0.14252(19) 0.33761(16) 0.0157(5) Uani 1 1 d . . .
C34 C 0.43905(18) 0.1335(2) 0.30335(17) 0.0199(6) Uani 1 1 d . . .
H34 H 0.4539 0.0716 0.2812 0.024 Uiso 1 1 calc R . .
C35 C 0.49509(18) 0.2157(2) 0.30189(17) 0.0223(6) Uani 1 1 d . . .
H35 H 0.5488 0.2102 0.2789 0.027 Uiso 1 1 calc R . .
C36 C 0.47260(18) 0.3072(2) 0.33433(17) 0.0214(6) Uani 1 1 d . . .
H36 H 0.5110 0.3634 0.3320 0.026 Uiso 1 1 calc R . .
C37 C 0.39577(17) 0.3175(2) 0.36968(16) 0.0182(5) Uani 1 1 d . . .
H37 H 0.3821 0.3796 0.3920 0.022 Uiso 1 1 calc R . .
B1 B 0.24623(19) 0.3437(2) 0.50472(18) 0.0157(6) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 C14 2.206(3) . ?
Rh1 P1 2.2245(7) . ?
Rh1 C13 2.235(3) . ?
Rh1 P2 2.2377(8) . ?
Rh1 C18 2.347(3) . ?
Rh1 C15 2.409(3) . ?
P1 C1 1.839(3) . ?
P1 C5 1.838(3) . ?
P1 C3 1.845(3) . ?
P2 C7 1.838(3) . ?
P2 C9 1.842(3) . ?
P2 C11 1.849(3) . ?
O1 B1 1.385(3) . ?
O1 C26 1.456(3) . ?
O2 B1 1.379(4) . ?
O2 C27 1.459(3) . ?
N1 B1 1.421(4) . ?
N1 C20 1.422(3) . ?
N1 C19 1.437(3) . ?
C1 C2 1.526(4) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.531(4) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.526(4) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.524(4) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.519(4) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.522(4) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C18 1.408(4) . ?
C13 C14 1.417(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.431(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.385(4) . ?
C15 H15 0.9500 . ?
C16 C33 1.452(4) . ?
C16 C17 1.459(4) . ?
C17 C19 1.386(4) . ?
C17 C18 1.439(4) . ?
C18 H18 0.9500 . ?
C19 C32 1.433(4) . ?
C20 C25 1.396(4) . ?
C20 C21 1.399(4) . ?
C21 C22 1.389(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.377(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.386(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.388(4) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 C30 1.518(4) . ?
C26 C31 1.521(4) . ?
C26 C27 1.557(4) . ?
C27 C29 1.513(4) . ?
C27 C28 1.529(4) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
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 C37 1.409(4) . ?
C32 C33 1.429(4) . ?
C33 C34 1.394(4) . ?
C34 C35 1.386(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.405(4) . ?
C35 H35 0.9500 . ?
C36 C37 1.386(4) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?

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
C14 Rh1 P1 98.55(8) . . ?
C14 Rh1 C13 37.20(10) . . ?
P1 Rh1 C13 124.08(8) . . ?
C14 Rh1 P2 162.27(7) . . ?
P1 Rh1 P2 95.03(3) . . ?
C13 Rh1 P2 125.08(8) . . ?
C14 Rh1 C18 64.73(10) . . ?
P1 Rh1 C18 159.72(7) . . ?
C13 Rh1 C18 35.69(10) . . ?
P2 Rh1 C18 99.46(7) . . ?
C14 Rh1 C15 35.78(9) . . ?
P1 Rh1 C15 100.75(7) . . ?
C13 Rh1 C15 63.92(10) . . ?
P2 Rh1 C15 150.69(7) . . ?
C18 Rh1 C15 72.80(9) . . ?
C1 P1 C5 102.86(13) . . ?
C1 P1 C3 101.24(13) . . ?
C5 P1 C3 102.19(14) . . ?
C1 P1 Rh1 118.79(9) . . ?
C5 P1 Rh1 116.67(9) . . ?
C3 P1 Rh1 112.73(9) . . ?
C7 P2 C9 100.26(14) . . ?
C7 P2 C11 101.99(13) . . ?
C9 P2 C11 102.52(14) . . ?
C7 P2 Rh1 119.19(10) . . ?
C9 P2 Rh1 118.87(10) . . ?
C11 P2 Rh1 111.47(10) . . ?
B1 O1 C26 106.0(2) . . ?
B1 O2 C27 105.8(2) . . ?
B1 N1 C20 123.5(2) . . ?
B1 N1 C19 118.9(2) . . ?
C20 N1 C19 117.3(2) . . ?
C2 C1 P1 111.5(2) . . ?
C2 C1 H1A 109.3 . . ?
P1 C1 H1A 109.3 . . ?
C2 C1 H1B 109.3 . . ?
P1 C1 H1B 109.3 . . ?
H1A C1 H1B 108.0 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C3 P1 117.7(2) . . ?
C4 C3 H3A 107.9 . . ?
P1 C3 H3A 107.9 . . ?
C4 C3 H3B 107.9 . . ?
P1 C3 H3B 107.9 . . ?
H3A C3 H3B 107.2 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 P1 112.5(2) . . ?
C6 C5 H5A 109.1 . . ?
P1 C5 H5A 109.1 . . ?
C6 C5 H5B 109.1 . . ?
P1 C5 H5B 109.1 . . ?
H5A C5 H5B 107.8 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 P2 112.7(2) . . ?
C8 C7 H7A 109.0 . . ?
P2 C7 H7A 109.0 . . ?
C8 C7 H7B 109.0 . . ?
P2 C7 H7B 109.0 . . ?
H7A C7 H7B 107.8 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 P2 113.6(2) . . ?
C10 C9 H9A 108.9 . . ?
P2 C9 H9A 108.9 . . ?
C10 C9 H9B 108.9 . . ?
P2 C9 H9B 108.9 . . ?
H9A C9 H9B 107.7 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 P2 117.4(2) . . ?
C12 C11 H11A 107.9 . . ?
P2 C11 H11A 107.9 . . ?
C12 C11 H11B 107.9 . . ?
P2 C11 H11B 107.9 . . ?
H11A C11 H11B 107.2 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C18 C13 C14 119.5(2) . . ?
C18 C13 Rh1 76.47(16) . . ?
C14 C13 Rh1 70.29(15) . . ?
C18 C13 H13 120.3 . . ?
C14 C13 H13 120.3 . . ?
Rh1 C13 H13 124.5 . . ?
C13 C14 C15 119.7(3) . . ?
C13 C14 Rh1 72.51(16) . . ?
C15 C14 Rh1 79.85(16) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 H14 120.1 . . ?
Rh1 C14 H14 118.3 . . ?
C16 C15 C14 120.8(2) . . ?
C16 C15 Rh1 85.42(17) . . ?
C14 C15 Rh1 64.36(15) . . ?
C16 C15 H15 119.6 . . ?
C14 C15 H15 119.6 . . ?
Rh1 C15 H15 121.3 . . ?
C15 C16 C33 133.0(2) . . ?
C15 C16 C17 120.1(2) . . ?
C33 C16 C17 106.3(2) . . ?
C19 C17 C18 132.8(2) . . ?
C19 C17 C16 109.6(2) . . ?
C18 C17 C16 117.6(2) . . ?
C13 C18 C17 120.4(2) . . ?
C13 C18 Rh1 67.84(15) . . ?
C17 C18 Rh1 87.81(15) . . ?
C13 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
Rh1 C18 H18 114.7 . . ?
C17 C19 N1 125.6(2) . . ?
C17 C19 C32 107.8(2) . . ?
N1 C19 C32 126.2(2) . . ?
C25 C20 C21 118.2(2) . . ?
C25 C20 N1 120.0(2) . . ?
C21 C20 N1 121.8(3) . . ?
C22 C21 C20 120.3(3) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C23 C22 C21 121.1(2) . . ?
C23 C22 H22 119.5 . . ?
C21 C22 H22 119.5 . . ?
C22 C23 C24 119.2(3) . . ?
C22 C23 H23 120.4 . . ?
C24 C23 H23 120.4 . . ?
C25 C24 C23 120.4(3) . . ?
C25 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
C24 C25 C20 120.9(3) . . ?
C24 C25 H25 119.6 . . ?
C20 C25 H25 119.6 . . ?
O1 C26 C30 109.0(2) . . ?
O1 C26 C31 106.7(2) . . ?
C30 C26 C31 111.1(2) . . ?
O1 C26 C27 101.7(2) . . ?
C30 C26 C27 114.6(2) . . ?
C31 C26 C27 112.9(2) . . ?
O2 C27 C29 109.4(2) . . ?
O2 C27 C28 106.5(2) . . ?
C29 C27 C28 110.5(2) . . ?
O2 C27 C26 101.9(2) . . ?
C29 C27 C26 114.9(2) . . ?
C28 C27 C26 113.0(2) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C26 C30 H30A 109.5 . . ?
C26 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C26 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C26 C31 H31A 109.5 . . ?
C26 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C26 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C37 C32 C33 118.8(2) . . ?
C37 C32 C19 131.9(3) . . ?
C33 C32 C19 109.3(2) . . ?
C34 C33 C32 121.0(2) . . ?
C34 C33 C16 132.0(3) . . ?
C32 C33 C16 106.9(2) . . ?
C35 C34 C33 119.3(3) . . ?
C35 C34 H34 120.3 . . ?
C33 C34 H34 120.3 . . ?
C34 C35 C36 120.1(3) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C37 C36 C35 121.6(3) . . ?
C37 C36 H36 119.2 . . ?
C35 C36 H36 119.2 . . ?
C36 C37 C32 119.2(3) . . ?
C36 C37 H37 120.4 . . ?
C32 C37 H37 120.4 . . ?
O2 B1 O1 113.0(2) . . ?
O2 B1 N1 122.4(2) . . ?
O1 B1 N1 124.6(2) . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C14 Rh1 P1 C1 145.07(13) . . . . ?
C13 Rh1 P1 C1 174.51(14) . . . . ?
P2 Rh1 P1 C1 -46.36(11) . . . . ?
C18 Rh1 P1 C1 178.1(2) . . . . ?
C15 Rh1 P1 C1 108.83(13) . . . . ?
C14 Rh1 P1 C5 -90.86(13) . . . . ?
C13 Rh1 P1 C5 -61.42(15) . . . . ?
P2 Rh1 P1 C5 77.70(12) . . . . ?
C18 Rh1 P1 C5 -57.9(2) . . . . ?
C15 Rh1 P1 C5 -127.11(13) . . . . ?
C14 Rh1 P1 C3 26.95(12) . . . . ?
C13 Rh1 P1 C3 56.39(14) . . . . ?
P2 Rh1 P1 C3 -164.49(11) . . . . ?
C18 Rh1 P1 C3 59.9(2) . . . . ?
C15 Rh1 P1 C3 -9.30(13) . . . . ?
C14 Rh1 P2 C7 93.6(3) . . . . ?
P1 Rh1 P2 C7 -46.37(11) . . . . ?
C13 Rh1 P2 C7 92.16(14) . . . . ?
C18 Rh1 P2 C7 119.40(12) . . . . ?
C15 Rh1 P2 C7 -169.00(16) . . . . ?
C14 Rh1 P2 C9 -143.7(3) . . . . ?
P1 Rh1 P2 C9 76.39(11) . . . . ?
C13 Rh1 P2 C9 -145.09(14) . . . . ?
C18 Rh1 P2 C9 -117.85(13) . . . . ?
C15 Rh1 P2 C9 -46.25(17) . . . . ?
C14 Rh1 P2 C11 -24.8(3) . . . . ?
P1 Rh1 P2 C11 -164.75(10) . . . . ?
C13 Rh1 P2 C11 -26.22(13) . . . . ?
C18 Rh1 P2 C11 1.01(12) . . . . ?
C15 Rh1 P2 C11 72.61(16) . . . . ?
C5 P1 C1 C2 171.9(2) . . . . ?
C3 P1 C1 C2 66.5(2) . . . . ?
Rh1 P1 C1 C2 -57.5(2) . . . . ?
C1 P1 C3 C4 52.8(2) . . . . ?
C5 P1 C3 C4 -53.1(3) . . . . ?
Rh1 P1 C3 C4 -179.17(19) . . . . ?
C1 P1 C5 C6 -171.5(2) . . . . ?
C3 P1 C5 C6 -66.8(2) . . . . ?
Rh1 P1 C5 C6 56.6(3) . . . . ?
C9 P2 C7 C8 166.8(2) . . . . ?
C11 P2 C7 C8 61.5(2) . . . . ?
Rh1 P2 C7 C8 -61.6(2) . . . . ?
C7 P2 C9 C10 -177.3(2) . . . . ?
C11 P2 C9 C10 -72.5(2) . . . . ?
Rh1 P2 C9 C10 50.9(2) . . . . ?
C7 P2 C11 C12 48.2(2) . . . . ?
C9 P2 C11 C12 -55.3(3) . . . . ?
Rh1 P2 C11 C12 176.46(19) . . . . ?
C14 Rh1 C13 C18 -128.6(2) . . . . ?
P1 Rh1 C13 C18 177.89(12) . . . . ?
P2 Rh1 C13 C18 50.69(18) . . . . ?
C15 Rh1 C13 C18 -96.72(17) . . . . ?
P1 Rh1 C13 C14 -53.51(18) . . . . ?
P2 Rh1 C13 C14 179.30(13) . . . . ?
C18 Rh1 C13 C14 128.6(2) . . . . ?
C15 Rh1 C13 C14 31.89(16) . . . . ?
C18 C13 C14 C15 -6.1(4) . . . . ?
Rh1 C13 C14 C15 -66.9(2) . . . . ?
C18 C13 C14 Rh1 60.8(2) . . . . ?
P1 Rh1 C14 C13 137.68(15) . . . . ?
P2 Rh1 C14 C13 -1.9(3) . . . . ?
C18 Rh1 C14 C13 -30.28(15) . . . . ?
C15 Rh1 C14 C13 -125.8(2) . . . . ?
P1 Rh1 C14 C15 -96.56(15) . . . . ?
C13 Rh1 C14 C15 125.8(2) . . . . ?
P2 Rh1 C14 C15 123.9(2) . . . . ?
C18 Rh1 C14 C15 95.49(17) . . . . ?
C13 C14 C15 C16 -4.0(4) . . . . ?
Rh1 C14 C15 C16 -67.1(3) . . . . ?
C13 C14 C15 Rh1 63.0(2) . . . . ?
C14 Rh1 C15 C16 127.5(2) . . . . ?
P1 Rh1 C15 C16 -142.76(14) . . . . ?
C13 Rh1 C15 C16 94.41(17) . . . . ?
P2 Rh1 C15 C16 -21.4(2) . . . . ?
C18 Rh1 C15 C16 57.08(15) . . . . ?
P1 Rh1 C15 C14 89.73(16) . . . . ?
C13 Rh1 C15 C14 -33.10(16) . . . . ?
P2 Rh1 C15 C14 -148.91(15) . . . . ?
C18 Rh1 C15 C14 -70.44(17) . . . . ?
C14 C15 C16 C33 -165.9(3) . . . . ?
Rh1 C15 C16 C33 137.7(3) . . . . ?
C14 C15 C16 C17 4.5(4) . . . . ?
Rh1 C15 C16 C17 -51.8(2) . . . . ?
C15 C16 C17 C19 -173.2(3) . . . . ?
C33 C16 C17 C19 -0.4(3) . . . . ?
C15 C16 C17 C18 4.7(4) . . . . ?
C33 C16 C17 C18 177.5(2) . . . . ?
C14 C13 C18 C17 15.7(4) . . . . ?
Rh1 C13 C18 C17 73.4(2) . . . . ?
C14 C13 C18 Rh1 -57.7(2) . . . . ?
C19 C17 C18 C13 162.4(3) . . . . ?
C16 C17 C18 C13 -14.9(4) . . . . ?
C19 C17 C18 Rh1 -135.0(3) . . . . ?
C16 C17 C18 Rh1 47.7(2) . . . . ?
C14 Rh1 C18 C13 31.50(16) . . . . ?
P1 Rh1 C18 C13 -5.0(3) . . . . ?
P2 Rh1 C18 C13 -140.06(15) . . . . ?
C15 Rh1 C18 C13 69.03(17) . . . . ?
C14 Rh1 C18 C17 -92.67(18) . . . . ?
P1 Rh1 C18 C17 -129.22(18) . . . . ?
C13 Rh1 C18 C17 -124.2(2) . . . . ?
P2 Rh1 C18 C17 95.77(16) . . . . ?
C15 Rh1 C18 C17 -55.14(17) . . . . ?
C18 C17 C19 N1 -1.5(5) . . . . ?
C16 C17 C19 N1 176.0(3) . . . . ?
C18 C17 C19 C32 -175.1(3) . . . . ?
C16 C17 C19 C32 2.4(3) . . . . ?
B1 N1 C19 C17 125.4(3) . . . . ?
C20 N1 C19 C17 -60.9(4) . . . . ?
B1 N1 C19 C32 -62.1(4) . . . . ?
C20 N1 C19 C32 111.5(3) . . . . ?
B1 N1 C20 C25 151.4(3) . . . . ?
C19 N1 C20 C25 -21.9(3) . . . . ?
B1 N1 C20 C21 -29.1(4) . . . . ?
C19 N1 C20 C21 157.6(2) . . . . ?
C25 C20 C21 C22 -0.8(4) . . . . ?
N1 C20 C21 C22 179.6(2) . . . . ?
C20 C21 C22 C23 0.2(4) . . . . ?
C21 C22 C23 C24 0.5(4) . . . . ?
C22 C23 C24 C25 -0.5(4) . . . . ?
C23 C24 C25 C20 -0.2(4) . . . . ?
C21 C20 C25 C24 0.9(4) . . . . ?
N1 C20 C25 C24 -179.6(2) . . . . ?
B1 O1 C26 C30 148.9(2) . . . . ?
B1 O1 C26 C31 -91.0(2) . . . . ?
B1 O1 C26 C27 27.5(3) . . . . ?
B1 O2 C27 C29 149.7(2) . . . . ?
B1 O2 C27 C28 -91.0(2) . . . . ?
B1 O2 C27 C26 27.7(3) . . . . ?
O1 C26 C27 O2 -33.6(3) . . . . ?
C30 C26 C27 O2 -151.0(2) . . . . ?
C31 C26 C27 O2 80.3(3) . . . . ?
O1 C26 C27 C29 -151.7(2) . . . . ?
C30 C26 C27 C29 90.9(3) . . . . ?
C31 C26 C27 C29 -37.8(3) . . . . ?
O1 C26 C27 C28 80.3(3) . . . . ?
C30 C26 C27 C28 -37.1(3) . . . . ?
C31 C26 C27 C28 -165.8(2) . . . . ?
C17 C19 C32 C37 173.5(3) . . . . ?
N1 C19 C32 C37 -0.0(5) . . . . ?
C17 C19 C32 C33 -3.6(3) . . . . ?
N1 C19 C32 C33 -177.1(3) . . . . ?
C37 C32 C33 C34 1.4(4) . . . . ?
C19 C32 C33 C34 178.9(3) . . . . ?
C37 C32 C33 C16 -174.3(2) . . . . ?
C19 C32 C33 C16 3.3(3) . . . . ?
C15 C16 C33 C34 -5.3(5) . . . . ?
C17 C16 C33 C34 -176.7(3) . . . . ?
C15 C16 C33 C32 169.7(3) . . . . ?
C17 C16 C33 C32 -1.8(3) . . . . ?
C32 C33 C34 C35 -1.0(4) . . . . ?
C16 C33 C34 C35 173.3(3) . . . . ?
C33 C34 C35 C36 -0.3(5) . . . . ?
C34 C35 C36 C37 1.4(5) . . . . ?
C35 C36 C37 C32 -1.0(5) . . . . ?
C33 C32 C37 C36 -0.4(4) . . . . ?
C19 C32 C37 C36 -177.2(3) . . . . ?
C27 O2 B1 O1 -11.6(3) . . . . ?
C27 O2 B1 N1 167.4(3) . . . . ?
C26 O1 B1 O2 -11.3(3) . . . . ?
C26 O1 B1 N1 169.6(3) . . . . ?
C20 N1 B1 O2 174.2(2) . . . . ?
C19 N1 B1 O2 -12.6(4) . . . . ?
C20 N1 B1 O1 -6.8(4) . . . . ?
C19 N1 B1 O1 166.4(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        29.23
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         0.716
_refine_diff_density_min         -0.684
_refine_diff_density_rms         0.091
_database_code_depnum_ccdc_archive 'CCDC 977666'

data_complex13_sk263

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C37 H68 B N O2 P3 Rh, 0.5(C6 H14)'
_chemical_formula_sum            'C40 H75 B N O2 P3 Rh'
_chemical_formula_weight         808.64

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'
B B 0.0013 0.0007 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 2/c'
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'

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'

_cell_length_a                   42.3611(15)
_cell_length_b                   10.5311(2)
_cell_length_c                   23.6156(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 120.338(3)
_cell_angle_gamma                90.00
_cell_volume                     9092.5(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    57872
_cell_measurement_theta_min      4.60
_cell_measurement_theta_max      28.28

_exptl_crystal_description       rod
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.19
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.181
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3464
_exptl_absorpt_coefficient_mu    0.512
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7912
_exptl_absorpt_correction_T_max  0.9090
_exptl_absorpt_process_details   'PLATON, 1990'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'STOE IPDS-2t'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            46376
_diffrn_reflns_av_R_equivalents  0.0994
_diffrn_reflns_av_sigmaI/netI    0.0499
_diffrn_reflns_limit_h_min       -52
_diffrn_reflns_limit_h_max       52
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         4.67
_diffrn_reflns_theta_max         26.00
_reflns_number_total             8863
_reflns_number_gt                7295
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED (Stoe & Cie, 2002)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics    'PLATON, 1990'
_computing_publication_material  'PLATON, 1990'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0904P)²+29.6551P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8863
_refine_ls_number_parameters     440
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0692
_refine_ls_R_factor_gt           0.0567
_refine_ls_wR_factor_ref         0.1630
_refine_ls_wR_factor_gt          0.1529
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
Rh1 Rh 0.102969(8) 0.47246(3) 0.216128(14) 0.02340(12) Uani 1 1 d . . .
P1 P 0.11589(3) 0.41535(9) 0.32008(5) 0.0251(2) Uani 1 1 d . . .
P2 P 0.07771(3) 0.27671(10) 0.16995(5) 0.0272(2) Uani 1 1 d . . .
P3 P 0.08670(3) 0.59143(11) 0.12174(5) 0.0355(3) Uani 1 1 d . . .
O1 O 0.24121(7) 0.6521(3) 0.41348(12) 0.0257(6) Uani 1 1 d . . .
O2 O 0.24836(8) 0.4633(2) 0.37154(13) 0.0265(6) Uani 1 1 d . . .
N1 N 0.19211(9) 0.5788(3) 0.30281(15) 0.0229(6) Uani 1 1 d . . .
C1 C 0.14662(12) 0.5190(4) 0.3895(2) 0.0305(9) Uani 1 1 d . . .
H1A H 0.1689 0.5343 0.3870 0.037 Uiso 1 1 calc R . .
H1B H 0.1343 0.6019 0.3835 0.037 Uiso 1 1 calc R . .
C2 C 0.15852(15) 0.4711(4) 0.4590(2) 0.0393(11) Uani 1 1 d . . .
H2A H 0.1370 0.4433 0.4608 0.059 Uiso 1 1 calc R . .
H2B H 0.1708 0.5399 0.4906 0.059 Uiso 1 1 calc R . .
H2C H 0.1754 0.3996 0.4699 0.059 Uiso 1 1 calc R . .
C3 C 0.13733(12) 0.2602(4) 0.3540(2) 0.0298(8) Uani 1 1 d . . .
H3A H 0.1397 0.2484 0.3976 0.036 Uiso 1 1 calc R . .
H3B H 0.1215 0.1916 0.3249 0.036 Uiso 1 1 calc R . .
C4 C 0.17513(12) 0.2508(4) 0.3609(2) 0.0319(9) Uani 1 1 d . . .
H4A H 0.1728 0.2596 0.3176 0.048 Uiso 1 1 calc R . .
H4B H 0.1860 0.1682 0.3797 0.048 Uiso 1 1 calc R . .
H4C H 0.1908 0.3187 0.3898 0.048 Uiso 1 1 calc R . .
C5 C 0.07621(12) 0.4089(5) 0.3327(2) 0.0376(10) Uani 1 1 d . . .
H5A H 0.0596 0.3402 0.3051 0.045 Uiso 1 1 calc R . .
H5B H 0.0850 0.3872 0.3791 0.045 Uiso 1 1 calc R . .
C6 C 0.05481(15) 0.5329(5) 0.3161(3) 0.0505(13) Uani 1 1 d . . .
H6A H 0.0706 0.6003 0.3453 0.076 Uiso 1 1 calc R . .
H6B H 0.0336 0.5223 0.3219 0.076 Uiso 1 1 calc R . .
H6C H 0.0464 0.5560 0.2705 0.076 Uiso 1 1 calc R . .
C7 C 0.11027(12) 0.1439(4) 0.1916(2) 0.0314(9) Uani 1 1 d . . .
H7A H 0.1236 0.1336 0.2399 0.038 Uiso 1 1 calc R . .
H7B H 0.0962 0.0650 0.1723 0.038 Uiso 1 1 calc R . .
C8 C 0.13803(14) 0.1577(5) 0.1696(2) 0.0427(11) Uani 1 1 d . . .
H8A H 0.1255 0.1545 0.1215 0.064 Uiso 1 1 calc R . .
H8B H 0.1558 0.0883 0.1880 0.064 Uiso 1 1 calc R . .
H8C H 0.1507 0.2392 0.1849 0.064 Uiso 1 1 calc R . .
C9 C 0.05014(13) 0.2531(4) 0.0799(2) 0.0366(10) Uani 1 1 d . . .
H9A H 0.0306 0.3181 0.0620 0.044 Uiso 1 1 calc R . .
H9B H 0.0661 0.2707 0.0615 0.044 Uiso 1 1 calc R . .
C10 C 0.03211(15) 0.1237(5) 0.0539(2) 0.0481(12) Uani 1 1 d . . .
H10A H 0.0508 0.0571 0.0720 0.072 Uiso 1 1 calc R . .
H10B H 0.0201 0.1231 0.0059 0.072 Uiso 1 1 calc R . .
H10C H 0.0139 0.1082 0.0671 0.072 Uiso 1 1 calc R . .
C11 C 0.04646(12) 0.2034(4) 0.1934(2) 0.0364(10) Uani 1 1 d . . .
H11A H 0.0397 0.1176 0.1738 0.044 Uiso 1 1 calc R . .
H11B H 0.0595 0.1936 0.2417 0.044 Uiso 1 1 calc R . .
C12 C 0.01174(13) 0.2804(5) 0.1717(3) 0.0474(12) Uani 1 1 d . . .
H12A H 0.0183 0.3678 0.1876 0.071 Uiso 1 1 calc R . .
H12B H -0.0024 0.2423 0.1898 0.071 Uiso 1 1 calc R . .
H12C H -0.0030 0.2806 0.1237 0.071 Uiso 1 1 calc R . .
C13 C 0.07995(15) 0.5228(5) 0.0449(2) 0.0454(12) Uani 1 1 d . . .
H13A H 0.0589 0.4636 0.0271 0.055 Uiso 1 1 calc R . .
H13B H 0.0738 0.5917 0.0125 0.055 Uiso 1 1 calc R . .
C14 C 0.11299(18) 0.4528(6) 0.0535(3) 0.0567(14) Uani 1 1 d . . .
H14A H 0.1334 0.5122 0.0679 0.085 Uiso 1 1 calc R . .
H14B H 0.1074 0.4146 0.0116 0.085 Uiso 1 1 calc R . .
H14C H 0.1196 0.3859 0.0864 0.085 Uiso 1 1 calc R . .
C15 C 0.11908(14) 0.7244(5) 0.1300(2) 0.0479(12) Uani 1 1 d . . .
H15A H 0.1214 0.7828 0.1647 0.057 Uiso 1 1 calc R . .
H15B H 0.1435 0.6865 0.1456 0.057 Uiso 1 1 calc R . .
C16 C 0.10952(17) 0.8026(6) 0.0701(3) 0.0565(14) Uani 1 1 d . . .
H16A H 0.1105 0.7490 0.0371 0.085 Uiso 1 1 calc R . .
H16B H 0.1271 0.8724 0.0822 0.085 Uiso 1 1 calc R . .
H16C H 0.0848 0.8372 0.0521 0.085 Uiso 1 1 calc R . .
C17 C 0.04479(14) 0.6832(6) 0.0940(3) 0.0563(14) Uani 1 1 d . . .
H17A H 0.0503 0.7572 0.1234 0.068 Uiso 1 1 calc R . .
H17B H 0.0365 0.7159 0.0494 0.068 Uiso 1 1 calc R . .
C18 C 0.01436(15) 0.6073(6) 0.0929(3) 0.0638(17) Uani 1 1 d . . .
H18A H 0.0078 0.5368 0.0619 0.096 Uiso 1 1 calc R . .
H18B H -0.0070 0.6621 0.0793 0.096 Uiso 1 1 calc R . .
H18C H 0.0225 0.5737 0.1369 0.096 Uiso 1 1 calc R . .
C19 C 0.12713(10) 0.6436(4) 0.26138(18) 0.0243(7) Uani 1 1 d . . .
C20 C 0.16508(10) 0.6735(4) 0.29188(17) 0.0230(7) Uani 1 1 d . . .
C21 C 0.18602(11) 0.4901(4) 0.25041(18) 0.0237(7) Uani 1 1 d . . .
H21A H 0.1595 0.4875 0.2178 0.028 Uiso 1 1 calc R . .
H21B H 0.1935 0.4040 0.2694 0.028 Uiso 1 1 calc R . .
C22 C 0.20670(10) 0.5239(4) 0.21545(18) 0.0246(8) Uani 1 1 d . . .
C23 C 0.21208(11) 0.4305(4) 0.17944(19) 0.0277(8) Uani 1 1 d . . .
H23 H 0.2031 0.3471 0.1777 0.033 Uiso 1 1 calc R . .
C24 C 0.23043(11) 0.4578(4) 0.1460(2) 0.0327(9) Uani 1 1 d . . .
H24 H 0.2340 0.3930 0.1217 0.039 Uiso 1 1 calc R . .
C25 C 0.24364(12) 0.5794(5) 0.1480(2) 0.0382(10) Uani 1 1 d . . .
H25 H 0.2560 0.5982 0.1247 0.046 Uiso 1 1 calc R . .
C26 C 0.23876(12) 0.6733(4) 0.1842(2) 0.0346(9) Uani 1 1 d . . .
H26 H 0.2481 0.7563 0.1864 0.041 Uiso 1 1 calc R . .
C27 C 0.22003(11) 0.6455(4) 0.21743(19) 0.0285(8) Uani 1 1 d . . .
H27 H 0.2164 0.7103 0.2416 0.034 Uiso 1 1 calc R . .
C28 C 0.27329(11) 0.5893(4) 0.46631(18) 0.0276(8) Uani 1 1 d . . .
C29 C 0.28370(11) 0.4927(4) 0.42811(19) 0.0270(8) Uani 1 1 d . . .
C30 C 0.30120(13) 0.3701(4) 0.4651(2) 0.0357(9) Uani 1 1 d . . .
H30A H 0.2837 0.3240 0.4730 0.054 Uiso 1 1 calc R . .
H30B H 0.3231 0.3904 0.5071 0.054 Uiso 1 1 calc R . .
H30C H 0.3081 0.3172 0.4388 0.054 Uiso 1 1 calc R . .
C31 C 0.30652(12) 0.5516(5) 0.4014(2) 0.0359(9) Uani 1 1 d . . .
H31A H 0.3078 0.4926 0.3706 0.054 Uiso 1 1 calc R . .
H31B H 0.3313 0.5690 0.4378 0.054 Uiso 1 1 calc R . .
H31C H 0.2951 0.6312 0.3787 0.054 Uiso 1 1 calc R . .
C32 C 0.26094(13) 0.5251(4) 0.5098(2) 0.0351(10) Uani 1 1 d . . .
H32A H 0.2495 0.5882 0.5243 0.053 Uiso 1 1 calc R . .
H32B H 0.2822 0.4878 0.5482 0.053 Uiso 1 1 calc R . .
H32C H 0.2432 0.4582 0.4849 0.053 Uiso 1 1 calc R . .
C33 C 0.30244(12) 0.6876(4) 0.5058(2) 0.0365(10) Uani 1 1 d . . .
H33A H 0.3074 0.7382 0.4764 0.055 Uiso 1 1 calc R . .
H33B H 0.3249 0.6447 0.5383 0.055 Uiso 1 1 calc R . .
H33C H 0.2938 0.7435 0.5284 0.055 Uiso 1 1 calc R . .
C34 C 0.17770(11) 0.7960(4) 0.31475(18) 0.0266(8) Uani 1 1 d . . .
H34 H 0.2029 0.8151 0.3325 0.032 Uiso 1 1 calc R . .
C35 C 0.15412(11) 0.8901(4) 0.3120(2) 0.0312(9) Uani 1 1 d . . .
H35 H 0.1631 0.9730 0.3278 0.037 Uiso 1 1 calc R . .
C36 C 0.11732(12) 0.8623(4) 0.2858(2) 0.0329(9) Uani 1 1 d . . .
H36 H 0.1010 0.9252 0.2849 0.040 Uiso 1 1 calc R . .
C37 C 0.10457(11) 0.7420(4) 0.2611(2) 0.0296(8) Uani 1 1 d . . .
H37 H 0.0792 0.7250 0.2429 0.036 Uiso 1 1 calc R . .
B1 B 0.22597(12) 0.5676(4) 0.3610(2) 0.0221(8) Uani 1 1 d . . .
C39 C 0.1014(2) 0.9907(8) 0.4199(4) 0.033 Uiso 0.50 1 d P . .
H39A H 0.1138 1.0381 0.4618 0.033 Uiso 0.50 1 calc PR . .
H39B H 0.1161 0.9990 0.3982 0.033 Uiso 0.50 1 calc PR . .
C40 C 0.0975(2) 0.8518(8) 0.4325(4) 0.033 Uiso 0.50 1 d P . .
H40A H 0.1009 0.7978 0.4017 0.033 Uiso 0.50 1 calc PR . .
H40B H 0.1165 0.8288 0.4778 0.033 Uiso 0.50 1 calc PR . .
C38 C 0.0673(2) 1.0377(8) 0.3807(4) 0.033 Uiso 0.50 1 d P . .
H38A H 0.0619 1.0384 0.3351 0.033 Uiso 0.50 1 calc PR . .
H38B H 0.0660 1.1245 0.3943 0.033 Uiso 0.50 1 calc PR . .
H38C H 0.0495 0.9843 0.3842 0.033 Uiso 0.50 1 calc PR . .
C41 C 0.0642(2) 0.8319(9) 0.4244(4) 0.033 Uiso 0.50 1 d P . .
H41A H 0.0609 0.8790 0.4574 0.033 Uiso 0.50 1 calc PR . .
H41B H 0.0597 0.7404 0.4271 0.033 Uiso 0.50 1 calc PR . .
C42 C 0.0384(2) 0.8858(9) 0.3528(4) 0.033 Uiso 0.50 1 d P . .
H42A H 0.0391 0.9787 0.3597 0.033 Uiso 0.50 1 calc PR . .
H42B H 0.0527 0.8712 0.3307 0.033 Uiso 0.50 1 calc PR . .
C43 C 0.0053(2) 0.8658(8) 0.3071(4) 0.033 Uiso 0.50 1 d P . .
H43A H 0.0026 0.7769 0.2931 0.033 Uiso 0.50 1 calc PR . .
H43B H -0.0006 0.9214 0.2698 0.033 Uiso 0.50 1 calc PR . .
H43C H -0.0113 0.8838 0.3236 0.033 Uiso 0.50 1 calc PR . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 C19 2.082(4) . ?
Rh1 P1 2.3088(10) . ?
Rh1 P2 2.3249(11) . ?
Rh1 P3 2.3370(11) . ?
P1 C3 1.845(4) . ?
P1 C1 1.849(4) . ?
P1 C5 1.851(4) . ?
P2 C11 1.843(4) . ?
P2 C7 1.846(4) . ?
P2 C9 1.855(4) . ?
P3 C17 1.828(6) . ?
P3 C13 1.836(5) . ?
P3 C15 1.900(6) . ?
O1 B1 1.391(5) . ?
O1 C28 1.459(4) . ?
O2 B1 1.389(5) . ?
O2 C29 1.450(5) . ?
N1 B1 1.403(5) . ?
N1 C20 1.440(5) . ?
N1 C21 1.465(5) . ?
C1 C2 1.537(6) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.529(6) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.524(7) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.515(6) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.530(6) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.524(7) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.503(8) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.503(7) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.506(8) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C37 1.407(5) . ?
C19 C20 1.426(5) . ?
C20 C34 1.397(5) . ?
C21 C22 1.518(5) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C27 1.391(6) . ?
C22 C23 1.392(5) . ?
C23 C24 1.389(5) . ?
C23 H23 0.9500 . ?
C24 C25 1.389(7) . ?
C24 H24 0.9500 . ?
C25 C26 1.390(6) . ?
C25 H25 0.9500 . ?
C26 C27 1.400(5) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 C33 1.518(6) . ?
C28 C32 1.526(6) . ?
C28 C29 1.563(5) . ?
C29 C30 1.525(6) . ?
C29 C31 1.527(6) . ?
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 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.385(6) . ?
C34 H34 0.9500 . ?
C35 C36 1.387(6) . ?
C35 H35 0.9500 . ?
C36 C37 1.385(6) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C39 C38 1.354(12) . ?
C39 C40 1.518(12) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 C41 1.343(12) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C41 C42 1.585(11) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.282(12) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?

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
C19 Rh1 P1 83.61(10) . . ?
C19 Rh1 P2 177.45(11) . . ?
P1 Rh1 P2 94.22(4) . . ?
C19 Rh1 P3 81.79(10) . . ?
P1 Rh1 P3 162.02(4) . . ?
P2 Rh1 P3 100.59(4) . . ?
C3 P1 C1 99.53(19) . . ?
C3 P1 C5 100.7(2) . . ?
C1 P1 C5 99.7(2) . . ?
C3 P1 Rh1 119.56(13) . . ?
C1 P1 Rh1 118.17(13) . . ?
C5 P1 Rh1 115.73(16) . . ?
C11 P2 C7 98.6(2) . . ?
C11 P2 C9 99.0(2) . . ?
C7 P2 C9 99.6(2) . . ?
C11 P2 Rh1 117.41(15) . . ?
C7 P2 Rh1 116.06(14) . . ?
C9 P2 Rh1 122.07(15) . . ?
C17 P3 C13 102.5(3) . . ?
C17 P3 C15 99.6(3) . . ?
C13 P3 C15 97.8(2) . . ?
C17 P3 Rh1 112.9(2) . . ?
C13 P3 Rh1 123.71(17) . . ?
C15 P3 Rh1 116.60(15) . . ?
B1 O1 C28 106.5(3) . . ?
B1 O2 C29 106.9(3) . . ?
B1 N1 C20 124.1(3) . . ?
B1 N1 C21 115.5(3) . . ?
C20 N1 C21 120.3(3) . . ?
C2 C1 P1 117.2(3) . . ?
C2 C1 H1A 108.0 . . ?
P1 C1 H1A 108.0 . . ?
C2 C1 H1B 108.0 . . ?
P1 C1 H1B 108.0 . . ?
H1A C1 H1B 107.2 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C3 P1 111.3(3) . . ?
C4 C3 H3A 109.4 . . ?
P1 C3 H3A 109.4 . . ?
C4 C3 H3B 109.4 . . ?
P1 C3 H3B 109.4 . . ?
H3A C3 H3B 108.0 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 P1 113.4(3) . . ?
C6 C5 H5A 108.9 . . ?
P1 C5 H5A 108.9 . . ?
C6 C5 H5B 108.9 . . ?
P1 C5 H5B 108.9 . . ?
H5A C5 H5B 107.7 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 P2 115.7(3) . . ?
C8 C7 H7A 108.4 . . ?
P2 C7 H7A 108.4 . . ?
C8 C7 H7B 108.4 . . ?
P2 C7 H7B 108.4 . . ?
H7A C7 H7B 107.4 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 P2 118.5(3) . . ?
C10 C9 H9A 107.7 . . ?
P2 C9 H9A 107.7 . . ?
C10 C9 H9B 107.7 . . ?
P2 C9 H9B 107.7 . . ?
H9A C9 H9B 107.1 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 P2 113.2(3) . . ?
C12 C11 H11A 108.9 . . ?
P2 C11 H11A 108.9 . . ?
C12 C11 H11B 108.9 . . ?
P2 C11 H11B 108.9 . . ?
H11A C11 H11B 107.8 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 P3 113.0(4) . . ?
C14 C13 H13A 109.0 . . ?
P3 C13 H13A 109.0 . . ?
C14 C13 H13B 109.0 . . ?
P3 C13 H13B 109.0 . . ?
H13A C13 H13B 107.8 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 P3 118.0(4) . . ?
C16 C15 H15A 107.8 . . ?
P3 C15 H15A 107.8 . . ?
C16 C15 H15B 107.8 . . ?
P3 C15 H15B 107.8 . . ?
H15A C15 H15B 107.1 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 P3 113.2(4) . . ?
C18 C17 H17A 108.9 . . ?
P3 C17 H17A 108.9 . . ?
C18 C17 H17B 108.9 . . ?
P3 C17 H17B 108.9 . . ?
H17A C17 H17B 107.8 . . ?
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 . . ?
C37 C19 C20 115.4(3) . . ?
C37 C19 Rh1 118.6(3) . . ?
C20 C19 Rh1 126.0(3) . . ?
C34 C20 C19 120.9(3) . . ?
C34 C20 N1 117.2(3) . . ?
C19 C20 N1 121.9(3) . . ?
N1 C21 C22 114.0(3) . . ?
N1 C21 H21A 108.8 . . ?
C22 C21 H21A 108.8 . . ?
N1 C21 H21B 108.8 . . ?
C22 C21 H21B 108.8 . . ?
H21A C21 H21B 107.7 . . ?
C27 C22 C23 118.8(4) . . ?
C27 C22 C21 122.2(3) . . ?
C23 C22 C21 118.9(3) . . ?
C24 C23 C22 120.8(4) . . ?
C24 C23 H23 119.6 . . ?
C22 C23 H23 119.6 . . ?
C23 C24 C25 120.2(4) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 119.9 . . ?
C24 C25 C26 119.6(4) . . ?
C24 C25 H25 120.2 . . ?
C26 C25 H25 120.2 . . ?
C25 C26 C27 119.9(4) . . ?
C25 C26 H26 120.0 . . ?
C27 C26 H26 120.0 . . ?
C22 C27 C26 120.6(4) . . ?
C22 C27 H27 119.7 . . ?
C26 C27 H27 119.7 . . ?
O1 C28 C33 109.5(3) . . ?
O1 C28 C32 106.8(3) . . ?
C33 C28 C32 109.7(3) . . ?
O1 C28 C29 102.3(3) . . ?
C33 C28 C29 114.8(3) . . ?
C32 C28 C29 113.2(3) . . ?
O2 C29 C30 108.9(3) . . ?
O2 C29 C31 106.3(3) . . ?
C30 C29 C31 110.7(3) . . ?
O2 C29 C28 102.1(3) . . ?
C30 C29 C28 114.7(3) . . ?
C31 C29 C28 113.3(3) . . ?
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 . . ?
C28 C32 H32A 109.5 . . ?
C28 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C28 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C28 C33 H33A 109.5 . . ?
C28 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C28 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 C20 121.1(4) . . ?
C35 C34 H34 119.4 . . ?
C20 C34 H34 119.4 . . ?
C34 C35 C36 119.4(4) . . ?
C34 C35 H35 120.3 . . ?
C36 C35 H35 120.3 . . ?
C37 C36 C35 119.5(4) . . ?
C37 C36 H36 120.3 . . ?
C35 C36 H36 120.3 . . ?
C36 C37 C19 123.5(4) . . ?
C36 C37 H37 118.2 . . ?
C19 C37 H37 118.2 . . ?
O2 B1 O1 112.2(3) . . ?
O2 B1 N1 120.6(3) . . ?
O1 B1 N1 127.1(4) . . ?
C38 C39 C40 107.7(8) . . ?
C38 C39 H39A 110.2 . . ?
C40 C39 H39A 110.2 . . ?
C38 C39 H39B 110.2 . . ?
C40 C39 H39B 110.2 . . ?
H39A C39 H39B 108.5 . . ?
C41 C40 C39 109.4(8) . . ?
C41 C40 H40A 109.8 . . ?
C39 C40 H40A 109.8 . . ?
C41 C40 H40B 109.8 . . ?
C39 C40 H40B 109.8 . . ?
H40A C40 H40B 108.2 . . ?
C39 C38 H38A 109.5 . . ?
C39 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C39 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C40 C41 C42 101.8(7) . . ?
C40 C41 H41A 111.4 . . ?
C42 C41 H41A 111.4 . . ?
C40 C41 H41B 111.4 . . ?
C42 C41 H41B 111.4 . . ?
H41A C41 H41B 109.3 . . ?
C43 C42 C41 135.3(8) . . ?
C43 C42 H42A 103.4 . . ?
C41 C42 H42A 103.4 . . ?
C43 C42 H42B 103.4 . . ?
C41 C42 H42B 103.4 . . ?
H42A C42 H42B 105.2 . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         1.021
_refine_diff_density_min         -2.857
_refine_diff_density_rms         0.099
_database_code_depnum_ccdc_archive 'CCDC 977667'
