# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_nsd047
_database_code_depnum_ccdc_archive 'CCDC 2001091'
loop_
_audit_author_name
_audit_author_address
'Yasushi Nishihara' 'Okayama University'
_audit_update_record             
;
2020-05-05 deposited with the CCDC.	2021-02-17 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C28 H48 B2 O6 Rh2'
_chemical_formula_moiety         'C28 H48 B2 O6 Rh2'
_chemical_formula_weight         708.11
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
_space_group_IT_number           15
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,+Y,1/2-Z
3 1/2+X,1/2+Y,+Z
4 1/2-X,1/2+Y,1/2-Z
5 -X,-Y,-Z
6 +X,-Y,-1/2+Z
7 -1/2-X,-1/2-Y,-Z
8 -1/2+X,-1/2-Y,-1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   22.997(5)
_cell_length_b                   6.3442(13)
_cell_length_c                   20.881(6)
_cell_angle_alpha                90.0000
_cell_angle_beta                 95.2510
_cell_angle_gamma                90.0000
_cell_volume                     3033.6(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    18
_cell_measurement_theta_min      9.46
_cell_measurement_theta_max      10.55
_cell_measurement_temperature    296
#------------------------------------------------------------------------------
_exptl_crystal_description       prismatic
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_exptl_crystal_density_diffrn    1.550
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1456.00
_exptl_absorpt_coefficient_mu    1.124
_exptl_absorpt_correction_type   'psi scan'
_exptl_absorpt_process_details   
;
ψ scans (North,Phillips & Matthews, 1968)
;
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.904
_exptl_special_details           
;
The scan width was (1.63+0.30tanθ)° with an ω
scan speed of 8° per minute 
(up to 4 scans to achieve I/σ(I) > 10).
Stationary background counts were recorded at each end of the
scan, and the scan time:background time ratio was 2:1.
;

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      296
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_measurement_device_type  'Rigaku AFC5R'
_diffrn_measurement_method       ω-2θ
_diffrn_reflns_number            2744
_diffrn_reflns_av_R_equivalents  0.0221
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.523
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max ?
_diffrn_reflns_Laue_measured_fraction_full ?
_diffrn_reflns_point_group_measured_fraction_max ?
_diffrn_reflns_point_group_measured_fraction_full ?
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_standards_number         3
_diffrn_standards_interval_count 150
_diffrn_standards_decay_%        3.272
_reflns_number_total             2676
_reflns_number_gt                2314
_reflns_threshold_expression     F²>2.0σ(F²)

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          ?
_refine_ls_R_factor_gt           0.0310
_refine_ls_wR_factor_ref         0.0939
_refine_ls_wR_factor_gt          ?
_refine_ls_number_restraints     ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         2744
_refine_ls_number_parameters     196
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[0.0010Fo² + 1.0000σ(Fo²)]/(4Fo²)'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.000
_refine_diff_density_max         0.523
_refine_diff_density_min         -0.742
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
B B 0.0013 0.0007
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Rh Rh -1.1178 0.9187
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.030070(10) 0.16806(4) 0.191150(10) 0.02825(9) Uani 1 8 d . . .
O1 O -0.10134(11) 0.4896(5) 0.13323(13) 0.0481(8) Uani 1 8 d . . .
O2 O -0.05077(10) 0.2834(4) 0.21538(11) 0.0375(7) Uani 1 8 d . . .
O3 O -0.15491(12) 0.2636(5) 0.18852(13) 0.0513(8) Uani 1 8 d . . .
C1 C 0.0289(2) -0.2380(8) 0.1148(3) 0.0730(17) Uani 1 8 d . . .
C2 C -0.2481(2) 0.2636(9) 0.1270(2) 0.0645(14) Uani 1 8 d . . .
C3 C 0.00767(17) 0.1521(6) 0.09174(17) 0.0396(10) Uani 1 8 d . . .
C4 C 0.11475(15) 0.1330(6) 0.16286(18) 0.0406(10) Uani 1 8 d . . .
C5 C -0.1585(3) 0.3513(9) 0.0413(2) 0.0709(17) Uani 1 8 d . . .
C6 C -0.19680(17) 0.3988(7) 0.15234(19) 0.0454(11) Uani 1 8 d . . .
C7 C -0.15999(16) 0.4900(7) 0.10029(18) 0.0443(10) Uani 1 8 d . . .
C8 C -0.00599(16) -0.0400(6) 0.11972(19) 0.0450(11) Uani 1 8 d . . .
C9 C 0.0598(2) 0.1862(9) 0.0543(2) 0.0632(15) Uani 1 8 d . . .
C10 C -0.1746(3) 0.7149(8) 0.0805(3) 0.0718(17) Uani 1 8 d . . .
C11 C 0.09905(17) -0.0480(6) 0.1948(2) 0.0457(11) Uani 1 8 d . . .
C12 C 0.1168(2) 0.1463(10) 0.0911(2) 0.0676(16) Uani 1 8 d . . .
C13 C -0.2170(2) 0.5648(10) 0.1979(2) 0.0742(18) Uani 1 8 d . . .
C14 C 0.0798(3) -0.2520(9) 0.1628(3) 0.085(2) Uani 1 8 d . . .
B1 B -0.10027(17) 0.3420(7) 0.18101(18) 0.0323(10) Uani 1 8 d . . .
H1 H 0.00348 -0.35656 0.12131 0.0866 Uiso 1 8 calc R . .
H2 H 0.04189 -0.24512 0.07193 0.0866 Uiso 1 8 calc R . .
H3 H -0.27099 0.22509 0.16132 0.0766 Uiso 1 8 calc R . .
H4 H -0.27201 0.33987 0.09475 0.0766 Uiso 1 8 calc R . .
H5 H -0.2333 0.13858 0.10825 0.0766 Uiso 1 8 calc R . .
H6 H -0.02641 0.2376 0.07682 0.0473 Uiso 1 8 calc R . .
H7 H 0.14382 0.22143 0.18733 0.0488 Uiso 1 8 calc R . .
H8 H -0.14776 0.21133 0.05525 0.0850 Uiso 1 8 calc R . .
H9 H -0.1965 0.34839 0.01803 0.0848 Uiso 1 8 calc R . .
H10 H -0.13053 0.40367 0.01383 0.0849 Uiso 1 8 calc R . .
H11 H -0.04796 -0.06351 0.12127 0.0535 Uiso 1 8 calc R . .
H12 H 0.05585 0.0897 0.01811 0.0765 Uiso 1 8 calc R . .
H13 H 0.05879 0.33017 0.03861 0.0765 Uiso 1 8 calc R . .
H14 H -0.21562 0.7263 0.06776 0.0859 Uiso 1 8 calc R . .
H15 H -0.15296 0.7545 0.04511 0.0860 Uiso 1 8 calc R . .
H16 H -0.16437 0.80685 0.11625 0.0859 Uiso 1 8 calc R . .
H17 H 0.11935 -0.0643 0.23786 0.0545 Uiso 1 8 calc R . .
H18 H 0.13204 0.01407 0.07633 0.0821 Uiso 1 8 calc R . .
H19 H 0.14253 0.26057 0.08115 0.0819 Uiso 1 8 calc R . .
H20 H -0.18564 0.66074 0.21014 0.0896 Uiso 1 8 calc R . .
H21 H -0.22903 0.49685 0.23561 0.0896 Uiso 1 8 calc R . .
H22 H -0.24931 0.64113 0.17683 0.0896 Uiso 1 8 calc R . .
H23 H 0.11247 -0.30425 0.14105 0.1010 Uiso 1 8 calc R . .
H24 H 0.07109 -0.3508 0.19601 0.1011 Uiso 1 8 calc R . .



#==============================================================================
_computing_data_collection       'MSC/AFC Diffractometer Control (Rigaku, 1998)'
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'MSC/AFC Diffractometer Control'
_computing_structure_solution    'DIRDIF99-PATTY (Gould, et al., 1999)'
_computing_structure_refinement  'CRYSTALS (Carruthers, et al., 1999)'
_computing_publication_material  'CrystalStructure 4.2.5 (Rigaku, 2017)'
_computing_molecular_graphics    'CrystalStructure 4.2.5'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Rh1 Rh1 2.9283(7) yes 2_555
Rh1 O2 2.102(2) yes .
Rh1 O2 2.098(2) yes 2_555
Rh1 C3 2.095(4) yes .
Rh1 C4 2.098(4) yes .
Rh1 C8 2.104(4) yes .
Rh1 C11 2.092(4) yes .
O1 C7 1.457(4) yes .
O1 B1 1.367(5) yes .
O2 B1 1.342(4) yes .
O3 C6 1.450(5) yes .
O3 B1 1.374(5) yes .
C1 C8 1.499(7) yes .
C1 C14 1.473(8) yes .
C2 C6 1.514(6) yes .
C3 C8 1.400(6) yes .
C3 C9 1.505(6) yes .
C4 C11 1.392(6) yes .
C4 C12 1.506(6) yes .
C5 C7 1.516(6) yes .
C6 C7 1.549(6) yes .
C6 C13 1.520(7) yes .
C7 C10 1.515(7) yes .
C9 C12 1.480(6) yes .
C11 C14 1.505(7) yes .
C1 H1 0.970 no .
C1 H2 0.970 no .
C2 H3 0.960 no .
C2 H4 0.960 no .
C2 H5 0.960 no .
C3 H6 0.980 no .
C4 H7 0.980 no .
C5 H8 0.960 no .
C5 H9 0.960 no .
C5 H10 0.960 no .
C8 H11 0.980 no .
C9 H12 0.970 no .
C9 H13 0.970 no .
C10 H14 0.960 no .
C10 H15 0.960 no .
C10 H16 0.960 no .
C11 H17 0.980 no .
C12 H18 0.970 no .
C12 H19 0.970 no .
C13 H20 0.960 no .
C13 H21 0.960 no .
C13 H22 0.960 no .
C14 H23 0.970 no .
C14 H24 0.970 no .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
Rh1 Rh1 O2 45.74(6) yes 2_555 .
Rh1 Rh1 O2 45.86(7) yes 2_555 2_555
Rh1 Rh1 C3 137.68(11) yes 2_555 .
Rh1 Rh1 C4 139.31(10) yes 2_555 .
Rh1 Rh1 C8 114.15(11) yes 2_555 .
Rh1 Rh1 C11 112.59(12) yes 2_555 .
O2 Rh1 O2 77.59(9) yes . 2_555
O2 Rh1 C3 96.46(12) yes . .
O2 Rh1 C4 165.64(13) yes . .
O2 Rh1 C8 95.11(12) yes . .
O2 Rh1 C11 154.60(13) yes . .
O2 Rh1 C3 162.35(13) yes 2_555 .
O2 Rh1 C4 99.29(12) yes 2_555 .
O2 Rh1 C8 156.82(13) yes 2_555 .
O2 Rh1 C11 95.04(13) yes 2_555 .
C3 Rh1 C4 82.32(15) yes . .
C3 Rh1 C8 38.95(15) yes . .
C3 Rh1 C11 96.97(16) yes . .
C4 Rh1 C8 92.85(15) yes . .
C4 Rh1 C11 38.80(16) yes . .
C8 Rh1 C11 82.14(15) yes . .
C7 O1 B1 107.4(3) yes . .
Rh1 O2 Rh1 88.40(9) yes . 2_555
Rh1 O2 B1 133.9(2) yes . .
Rh1 O2 B1 134.7(2) yes 2_555 .
C6 O3 B1 107.3(3) yes . .
C8 C1 C14 113.7(4) yes . .
Rh1 C3 C8 70.9(2) yes . .
Rh1 C3 C9 111.9(3) yes . .
C8 C3 C9 124.2(4) yes . .
Rh1 C4 C11 70.4(2) yes . .
Rh1 C4 C12 112.9(3) yes . .
C11 C4 C12 123.8(4) yes . .
O3 C6 C2 107.8(4) yes . .
O3 C6 C7 101.9(3) yes . .
O3 C6 C13 108.1(3) yes . .
C2 C6 C7 115.1(3) yes . .
C2 C6 C13 109.8(4) yes . .
C7 C6 C13 113.5(4) yes . .
O1 C7 C5 107.1(3) yes . .
O1 C7 C6 102.1(3) yes . .
O1 C7 C10 107.6(4) yes . .
C5 C7 C6 114.0(4) yes . .
C5 C7 C10 110.2(4) yes . .
C6 C7 C10 115.0(4) yes . .
Rh1 C8 C1 113.3(3) yes . .
Rh1 C8 C3 70.2(2) yes . .
C1 C8 C3 124.0(4) yes . .
C3 C9 C12 114.6(4) yes . .
Rh1 C11 C4 70.8(2) yes . .
Rh1 C11 C14 110.9(3) yes . .
C4 C11 C14 125.1(4) yes . .
C4 C12 C9 114.8(4) yes . .
C1 C14 C11 115.7(4) yes . .
O1 B1 O2 122.6(3) yes . .
O1 B1 O3 112.1(3) yes . .
O2 B1 O3 125.4(3) yes . .
C8 C1 H1 107.853 no . .
C8 C1 H2 108.320 no . .
C14 C1 H1 108.054 no . .
C14 C1 H2 109.397 no . .
H1 C1 H2 109.493 no . .
C6 C2 H3 110.235 no . .
C6 C2 H4 109.756 no . .
C6 C2 H5 108.502 no . .
H3 C2 H4 109.450 no . .
H3 C2 H5 109.436 no . .
H4 C2 H5 109.444 no . .
Rh1 C3 H6 113.908 no . .
C8 C3 H6 114.265 no . .
C9 C3 H6 114.022 no . .
Rh1 C4 H7 113.518 no . .
C11 C4 H7 114.640 no . .
C12 C4 H7 113.861 no . .
C7 C5 H8 108.341 no . .
C7 C5 H9 109.611 no . .
C7 C5 H10 110.542 no . .
H8 C5 H9 109.441 no . .
H8 C5 H10 109.448 no . .
H9 C5 H10 109.438 no . .
Rh1 C8 H11 113.409 no . .
C1 C8 H11 114.210 no . .
C3 C8 H11 113.913 no . .
C3 C9 H12 106.978 no . .
C3 C9 H13 108.360 no . .
C12 C9 H12 108.168 no . .
C12 C9 H13 109.197 no . .
H12 C9 H13 109.494 no . .
C7 C10 H14 109.503 no . .
C7 C10 H15 109.871 no . .
C7 C10 H16 109.129 no . .
H14 C10 H15 109.439 no . .
H14 C10 H16 109.438 no . .
H15 C10 H16 109.448 no . .
Rh1 C11 H17 113.489 no . .
C4 C11 H17 113.839 no . .
C14 C11 H17 114.378 no . .
C4 C12 H18 108.265 no . .
C4 C12 H19 109.308 no . .
C9 C12 H18 108.107 no . .
C9 C12 H19 106.811 no . .
H18 C12 H19 109.490 no . .
C6 C13 H20 109.935 no . .
C6 C13 H21 109.268 no . .
C6 C13 H22 109.292 no . .
H20 C13 H21 109.436 no . .
H20 C13 H22 109.444 no . .
H21 C13 H22 109.451 no . .
C1 C14 H23 107.677 no . .
C1 C14 H24 108.762 no . .
C11 C14 H23 107.076 no . .
C11 C14 H24 108.036 no . .
H23 C14 H24 109.493 no . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Rh1 Rh1 O2 Rh1 0.0 no 2_555 . . 2_555
Rh1 Rh1 O2 B1 -161.8(3) no 2_555 . . .
O2 Rh1 Rh1 O2 -121.84(10) no . . 2_555 2_555
O2 Rh1 Rh1 O2 0.00(10) no . . 2_555 .
O2 Rh1 Rh1 C3 -155.03(10) no . . 2_555 2_555
O2 Rh1 Rh1 C4 38.44(10) no . . 2_555 2_555
O2 Rh1 Rh1 C8 165.65(10) no . . 2_555 2_555
O2 Rh1 Rh1 C11 74.26(10) no . . 2_555 2_555
Rh1 Rh1 O2 Rh1 0.0 no 2_555 . 2_555 2_555
Rh1 Rh1 O2 B1 161.6(3) no 2_555 . 2_555 2_555
O2 Rh1 Rh1 O2 0.00(10) no 2_555 . 2_555 2_555
O2 Rh1 Rh1 O2 121.84(10) no 2_555 . 2_555 .
O2 Rh1 Rh1 C3 -33.18(10) no 2_555 . 2_555 2_555
O2 Rh1 Rh1 C4 160.28(10) no 2_555 . 2_555 2_555
O2 Rh1 Rh1 C8 -72.51(10) no 2_555 . 2_555 2_555
O2 Rh1 Rh1 C11 -163.89(10) no 2_555 . 2_555 2_555
Rh1 Rh1 C3 C8 -66.9(2) no 2_555 . . .
Rh1 Rh1 C3 C9 173.01(9) no 2_555 . . .
C3 Rh1 Rh1 O2 -155.03(16) no . . 2_555 2_555
C3 Rh1 Rh1 O2 -33.18(16) no . . 2_555 .
C3 Rh1 Rh1 C3 171.79(16) no . . 2_555 2_555
C3 Rh1 Rh1 C4 5.25(16) no . . 2_555 2_555
C3 Rh1 Rh1 C8 132.46(16) no . . 2_555 2_555
C3 Rh1 Rh1 C11 41.08(16) no . . 2_555 2_555
Rh1 Rh1 C4 C11 59.6(2) no 2_555 . . .
Rh1 Rh1 C4 C12 178.97(9) no 2_555 . . .
C4 Rh1 Rh1 O2 38.44(17) no . . 2_555 2_555
C4 Rh1 Rh1 O2 160.28(17) no . . 2_555 .
C4 Rh1 Rh1 C3 5.25(17) no . . 2_555 2_555
C4 Rh1 Rh1 C4 -161.28(17) no . . 2_555 2_555
C4 Rh1 Rh1 C8 -34.07(17) no . . 2_555 2_555
C4 Rh1 Rh1 C11 -125.45(17) no . . 2_555 2_555
Rh1 Rh1 C8 C1 -103.3(2) no 2_555 . . .
Rh1 Rh1 C8 C3 137.26(10) no 2_555 . . .
C8 Rh1 Rh1 O2 165.65(11) no . . 2_555 2_555
C8 Rh1 Rh1 O2 -72.51(12) no . . 2_555 .
C8 Rh1 Rh1 C3 132.46(12) no . . 2_555 2_555
C8 Rh1 Rh1 C4 -34.07(12) no . . 2_555 2_555
C8 Rh1 Rh1 C8 93.14(12) no . . 2_555 2_555
C8 Rh1 Rh1 C11 1.76(11) no . . 2_555 2_555
Rh1 Rh1 C11 C4 -142.47(11) no 2_555 . . .
Rh1 Rh1 C11 C14 96.3(2) no 2_555 . . .
C11 Rh1 Rh1 O2 74.26(12) no . . 2_555 2_555
C11 Rh1 Rh1 O2 -163.89(12) no . . 2_555 .
C11 Rh1 Rh1 C3 41.08(12) no . . 2_555 2_555
C11 Rh1 Rh1 C4 -125.45(12) no . . 2_555 2_555
C11 Rh1 Rh1 C8 1.76(12) no . . 2_555 2_555
C11 Rh1 Rh1 C11 -89.63(12) no . . 2_555 2_555
O2 Rh1 O2 Rh1 38.53(9) no . . 2_555 2_555
O2 Rh1 O2 B1 -159.9(3) no . . 2_555 2_555
O2 Rh1 O2 Rh1 -38.62(9) no 2_555 . . 2_555
O2 Rh1 O2 B1 159.5(3) no 2_555 . . .
O2 Rh1 C3 C8 -90.14(15) no . . . .
O2 Rh1 C3 C9 149.8(2) no . . . .
C3 Rh1 O2 Rh1 158.23(12) no . . . 2_555
C3 Rh1 O2 B1 -3.6(3) no . . . .
O2 Rh1 C8 C1 -146.6(2) no . . . .
O2 Rh1 C8 C3 93.96(15) no . . . .
C8 Rh1 O2 Rh1 119.10(13) no . . . 2_555
C8 Rh1 O2 B1 -42.7(3) no . . . .
O2 Rh1 C11 C4 -170.07(18) no . . . .
O2 Rh1 C11 C14 68.7(4) no . . . .
C11 Rh1 O2 Rh1 36.7(3) no . . . 2_555
C11 Rh1 O2 B1 -125.2(3) no . . . .
O2 Rh1 C4 C11 86.47(15) no 2_555 . . .
O2 Rh1 C4 C12 -154.2(2) no 2_555 . . .
C4 Rh1 O2 Rh1 -155.75(13) no . . 2_555 2_555
C4 Rh1 O2 B1 5.8(3) no . . 2_555 2_555
O2 Rh1 C8 C1 -76.4(4) no 2_555 . . .
O2 Rh1 C8 C3 164.1(2) no 2_555 . . .
C8 Rh1 O2 Rh1 -35.1(3) no . . 2_555 2_555
C8 Rh1 O2 B1 126.5(3) no . . 2_555 2_555
O2 Rh1 C11 C4 -98.57(15) no 2_555 . . .
O2 Rh1 C11 C14 140.2(2) no 2_555 . . .
C11 Rh1 O2 Rh1 -116.86(13) no . . 2_555 2_555
C11 Rh1 O2 B1 44.7(3) no . . 2_555 2_555
C3 Rh1 C4 C11 -111.30(17) no . . . .
C3 Rh1 C4 C12 8.1(2) no . . . .
C4 Rh1 C3 C8 104.28(18) no . . . .
C4 Rh1 C3 C9 -15.8(2) no . . . .
C3 Rh1 C8 C1 119.4(3) no . . . .
C3 Rh1 C8 C3 0.00(17) no . . . .
C8 Rh1 C3 C8 0.00(16) no . . . .
C8 Rh1 C3 C9 -120.1(3) no . . . .
C3 Rh1 C11 C4 68.47(18) no . . . .
C3 Rh1 C11 C14 -52.8(2) no . . . .
C11 Rh1 C3 C8 68.25(18) no . . . .
C11 Rh1 C3 C9 -51.8(2) no . . . .
C4 Rh1 C8 C1 45.4(2) no . . . .
C4 Rh1 C8 C3 -74.07(17) no . . . .
C8 Rh1 C4 C11 -73.71(17) no . . . .
C8 Rh1 C4 C12 45.7(2) no . . . .
C4 Rh1 C11 C4 0.00(16) no . . . .
C4 Rh1 C11 C14 -121.3(4) no . . . .
C11 Rh1 C4 C11 0.00(17) no . . . .
C11 Rh1 C4 C12 119.4(3) no . . . .
C8 Rh1 C11 C4 104.58(18) no . . . .
C8 Rh1 C11 C14 -16.7(2) no . . . .
C11 Rh1 C8 C1 8.0(2) no . . . .
C11 Rh1 C8 C3 -111.46(18) no . . . .
C7 O1 B1 O2 171.5(3) no . . . .
C7 O1 B1 O3 -8.1(4) no . . . .
B1 O1 C7 C5 -96.8(3) no . . . .
B1 O1 C7 C6 23.4(4) no . . . .
B1 O1 C7 C10 144.8(3) no . . . .
Rh1 O2 B1 O1 -54.4(5) no . . . .
Rh1 O2 B1 O3 125.2(3) no . . . .
Rh1 O2 B1 O1 151.6(2) no 2_555 . . .
Rh1 O2 B1 O3 -28.8(6) no 2_555 . . .
C6 O3 B1 O1 -12.4(4) no . . . .
C6 O3 B1 O2 168.0(3) no . . . .
B1 O3 C6 C2 147.4(3) no . . . .
B1 O3 C6 C7 25.8(4) no . . . .
B1 O3 C6 C13 -94.0(3) no . . . .
C8 C1 C14 C11 -17.3(7) no . . . .
C14 C1 C8 Rh1 2.7(6) no . . . .
C14 C1 C8 C3 83.7(6) no . . . .
Rh1 C3 C8 Rh1 0.0 no . . . .
Rh1 C3 C8 C1 -105.3(3) no . . . .
Rh1 C3 C9 C12 21.2(5) no . . . .
C8 C3 C9 C12 -60.0(5) no . . . .
C9 C3 C8 Rh1 104.0(4) no . . . .
C9 C3 C8 C1 -1.3(6) no . . . .
Rh1 C4 C11 Rh1 0.0 no . . . .
Rh1 C4 C11 C14 102.5(3) no . . . .
Rh1 C4 C12 C9 1.4(5) no . . . .
C11 C4 C12 C9 82.4(5) no . . . .
C12 C4 C11 Rh1 -105.0(4) no . . . .
C12 C4 C11 C14 -2.5(6) no . . . .
O3 C6 C7 O1 -29.5(4) no . . . .
O3 C6 C7 C5 85.7(3) no . . . .
O3 C6 C7 C10 -145.7(3) no . . . .
C2 C6 C7 O1 -145.9(4) no . . . .
C2 C6 C7 C5 -30.7(5) no . . . .
C2 C6 C7 C10 97.9(4) no . . . .
C13 C6 C7 O1 86.5(4) no . . . .
C13 C6 C7 C5 -158.4(3) no . . . .
C13 C6 C7 C10 -29.7(4) no . . . .
C3 C9 C12 C4 -14.8(7) no . . . .
Rh1 C11 C14 C1 23.5(6) no . . . .
C4 C11 C14 C1 -57.1(6) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
O1 C3 3.466(5) no . .
O1 C13 3.128(6) no . .
O2 C6 3.569(5) no . .
O2 C7 3.563(4) no . .
O3 C4 3.263(5) no . 2_555
O3 C5 3.117(5) no . .
O3 C11 3.304(5) no . 2_555
C1 C4 3.175(7) no . .
C1 C9 3.083(8) no . .
C1 C12 3.234(8) no . .
C2 C5 2.902(7) no . .
C2 C10 3.507(8) no . .
C2 B1 3.517(6) no . .
C3 C14 3.328(7) no . .
C3 B1 3.455(6) no . .
C4 B1 3.563(6) no . 2_555
C5 B1 3.097(6) no . .
C8 C12 3.169(6) no . .
C8 B1 3.567(6) no . .
C9 C11 3.338(6) no . .
C9 C14 3.589(8) no . .
C10 C13 2.883(8) no . .
C10 B1 3.502(7) no . .
C11 B1 3.582(6) no . 2_555
C12 C14 3.095(8) no . .
C13 B1 3.082(7) no . .
O1 C1 3.510(6) no . 1_565
C1 O1 3.510(6) no . 1_545
Rh1 H13 3.4676 no . .
Rh1 H24 3.4232 no . .
O1 H6 2.6988 no . .
O1 H8 2.5668 no . .
O1 H9 3.2271 no . .
O1 H10 2.5801 no . .
O1 H14 3.2208 no . .
O1 H15 2.6870 no . .
O1 H16 2.4868 no . .
O1 H20 2.8437 no . .
O2 H6 3.0109 no . .
O2 H7 3.1074 no . 2_555
O2 H11 2.9551 no . .
O2 H17 2.9306 no . 2_555
O3 H3 2.6890 no . .
O3 H4 3.2179 no . .
O3 H5 2.4769 no . .
O3 H7 2.5953 no . 2_555
O3 H8 2.8221 no . .
O3 H11 3.5999 no . .
O3 H17 2.6699 no . 2_555
O3 H20 2.6666 no . .
O3 H21 2.5238 no . .
O3 H22 3.2269 no . .
C1 H6 3.3416 no . .
C1 H12 3.0017 no . .
C1 H17 3.3415 no . .
C1 H18 3.0291 no . .
C2 H8 2.8820 no . .
C2 H9 2.7135 no . .
C2 H14 3.2970 no . .
C2 H20 3.3120 no . .
C2 H21 2.7104 no . .
C2 H22 2.6128 no . .
C3 H1 3.2889 no . .
C3 H2 2.6836 no . .
C3 H7 3.5828 no . .
C3 H18 3.0364 no . .
C3 H19 3.2041 no . .
C4 H2 3.4036 no . .
C4 H12 3.2088 no . .
C4 H13 3.0563 no . .
C4 H23 2.8108 no . .
C4 H24 3.3219 no . .
C5 H4 2.9318 no . .
C5 H5 2.6782 no . .
C5 H6 3.1446 no . .
C5 H14 2.7966 no . .
C5 H15 2.5619 no . .
C5 H16 3.2950 no . .
C6 H8 2.6861 no . .
C6 H9 2.8233 no . .
C6 H10 3.3904 no . .
C6 H14 2.7356 no . .
C6 H15 3.3964 no . .
C6 H16 2.8158 no . .
C7 H3 3.3999 no . .
C7 H4 2.7390 no . .
C7 H5 2.8090 no . .
C7 H6 3.5378 no . .
C7 H20 2.6516 no . .
C7 H21 3.3657 no . .
C7 H22 2.8800 no . .
C8 H12 2.7846 no . .
C8 H13 3.3265 no . .
C8 H18 3.3972 no . .
C8 H23 3.1949 no . .
C8 H24 3.0083 no . .
C9 H2 2.7964 no . .
C9 H7 3.2433 no . .
C9 H11 3.3525 no . .
C10 H4 3.3008 no . .
C10 H8 3.3048 no . .
C10 H9 2.6907 no . .
C10 H10 2.6677 no . .
C10 H20 2.7644 no . .
C10 H22 2.8031 no . .
C11 H1 3.2250 no . .
C11 H2 3.0426 no . .
C11 H11 3.5842 no . .
C11 H18 2.6820 no . .
C11 H19 3.3011 no . .
C12 H2 3.0282 no . .
C12 H6 3.3310 no . .
C12 H17 3.3384 no . .
C12 H23 3.0473 no . .
C13 H3 2.5684 no . .
C13 H4 2.7891 no . .
C13 H5 3.2907 no . .
C13 H7 3.5466 no . 2_555
C13 H14 2.9075 no . .
C13 H16 2.6662 no . .
C14 H7 3.3631 no . .
C14 H11 3.2175 no . .
C14 H18 2.8186 no . .
B1 H5 3.5330 no . .
B1 H6 2.9552 no . .
B1 H7 3.1065 no . 2_555
B1 H8 2.8724 no . .
B1 H10 3.5183 no . .
B1 H11 3.1459 no . .
B1 H16 3.5119 no . .
B1 H17 3.1374 no . 2_555
B1 H20 2.9209 no . .
B1 H21 3.4133 no . .
H1 H11 2.2036 no . .
H1 H23 2.5245 no . .
H1 H24 2.0995 no . .
H2 H6 3.4475 no . .
H2 H11 2.6548 no . .
H2 H12 2.4381 no . .
H2 H18 2.6411 no . .
H2 H23 2.1046 no . .
H2 H24 2.7009 no . .
H3 H20 3.4877 no . .
H3 H21 2.4568 no . .
H3 H22 2.7001 no . .
H4 H8 3.1530 no . .
H4 H9 2.4686 no . .
H4 H14 2.8537 no . .
H4 H21 3.1761 no . .
H4 H22 2.5883 no . .
H5 H8 2.3887 no . .
H5 H9 2.5157 no . .
H5 H21 3.4929 no . .
H5 H22 3.5281 no . .
H6 H8 2.7908 no . .
H6 H10 2.8279 no . .
H6 H11 2.2001 no . .
H6 H12 2.5271 no . .
H6 H13 2.2598 no . .
H7 H13 3.5821 no . .
H7 H17 2.1965 no . .
H7 H18 2.6573 no . .
H7 H19 2.2285 no . .
H7 H20 3.5916 no . 2_555
H7 H21 2.9841 no . 2_555
H7 H23 3.5282 no . .
H8 H11 3.1031 no . .
H8 H15 3.4539 no . .
H9 H14 2.6652 no . .
H9 H15 2.8030 no . .
H9 H16 3.5965 no . .
H10 H14 3.1129 no . .
H10 H15 2.3892 no . .
H10 H16 3.4679 no . .
H11 H12 3.4965 no . .
H11 H17 3.4974 no . 2_555
H11 H24 3.5314 no . .
H12 H18 2.0948 no . .
H12 H19 2.5300 no . .
H13 H18 2.6901 no . .
H13 H19 2.0927 no . .
H14 H20 3.0186 no . .
H14 H22 2.5302 no . .
H16 H20 2.2622 no . .
H16 H22 2.6407 no . .
H17 H18 3.4480 no . .
H17 H23 2.5239 no . .
H17 H24 2.2631 no . .
H18 H23 2.4937 no . .
Rh1 H1 3.3813 no . 1_565
Rh1 H24 3.1938 no . 1_565
O1 H1 2.6335 no . 1_565
O1 H11 3.1088 no . 1_565
O2 H1 3.3288 no . 1_565
O2 H24 3.0308 no . 2_565
O3 H16 3.2650 no . 1_545
C1 H12 3.3757 no . 5_555
C1 H13 3.2724 no . 1_545
C2 H9 3.2541 no . 7_565
C2 H16 3.4973 no . 1_545
C2 H18 3.2727 no . 3_455
C2 H21 3.4136 no . 4_445
C2 H23 3.2757 no . 3_455
C3 H1 3.1806 no . 1_565
C3 H2 3.5516 no . 5_555
C3 H12 3.0226 no . 5_555
C4 H4 3.5973 no . 3_545
C4 H22 3.1135 no . 3_545
C4 H23 3.5989 no . 1_565
C4 H24 3.5127 no . 1_565
C5 H4 3.3562 no . 7_565
C5 H13 3.5817 no . 5_565
C5 H18 3.4717 no . 5_555
C5 H19 3.5928 no . 5_565
C8 H12 3.0154 no . 5_555
C9 H1 3.5189 no . 1_565
C9 H2 3.3802 no . 5_555
C9 H10 3.4445 no . 5_565
C9 H12 3.4183 no . 5_555
C9 H15 3.1392 no . 5_565
C10 H5 3.0873 no . 1_565
C10 H8 3.2613 no . 1_565
C10 H11 3.2747 no . 1_565
C10 H19 3.5226 no . 5_565
C11 H3 3.4462 no . 3_545
C11 H20 3.2553 no . 2_545
C12 H4 3.2069 no . 3_545
C12 H15 3.0999 no . 5_565
C12 H22 3.4165 no . 3_545
C13 H3 3.1462 no . 4_455
C13 H7 3.3399 no . 3_455
C13 H17 3.4389 no . 2_565
C13 H21 3.3612 no . 4_455
C14 H3 3.4364 no . 3_545
C14 H20 3.4766 no . 2_545
B1 H1 3.3835 no . 1_565
B1 H24 3.2446 no . 2_565
H1 Rh1 3.3813 no . 1_545
H1 O1 2.6335 no . 1_545
H1 O2 3.3288 no . 1_545
H1 C3 3.1806 no . 1_545
H1 C9 3.5189 no . 1_545
H1 B1 3.3835 no . 1_545
H1 H6 2.8014 no . 1_545
H1 H12 3.5321 no . 5_555
H1 H13 2.9920 no . 1_545
H1 H13 3.5148 no . 5_555
H2 C3 3.5516 no . 5_555
H2 C9 3.3802 no . 5_555
H2 H6 3.0942 no . 5_555
H2 H10 3.0070 no . 5_555
H2 H12 2.9641 no . 5_555
H2 H13 2.8186 no . 1_545
H2 H13 3.1625 no . 5_555
H3 C11 3.4462 no . 3_455
H3 C13 3.1462 no . 4_445
H3 C14 3.4364 no . 3_455
H3 H17 3.3819 no . 3_455
H3 H18 3.2801 no . 3_455
H3 H20 2.9758 no . 4_445
H3 H21 2.5939 no . 4_445
H3 H22 3.4109 no . 4_445
H3 H23 2.6812 no . 3_455
H4 C4 3.5973 no . 3_455
H4 C5 3.3562 no . 7_565
H4 C12 3.2069 no . 3_455
H4 H8 3.5017 no . 7_565
H4 H9 2.6804 no . 7_565
H4 H10 3.4089 no . 7_565
H4 H18 2.4663 no . 3_455
H4 H19 3.3113 no . 3_455
H4 H23 3.0493 no . 3_455
H5 C10 3.0873 no . 1_545
H5 H9 2.9642 no . 7_565
H5 H14 2.7900 no . 1_545
H5 H15 3.3963 no . 1_545
H5 H16 2.6309 no . 1_545
H5 H21 3.5645 no . 4_445
H5 H22 3.4989 no . 1_545
H6 H1 2.8014 no . 1_565
H6 H2 3.0942 no . 5_555
H6 H12 2.9075 no . 5_555
H7 C13 3.3399 no . 3_545
H7 H21 3.3252 no . 3_545
H7 H22 2.5390 no . 3_545
H7 H23 3.2220 no . 1_565
H7 H24 3.2017 no . 1_565
H8 C10 3.2613 no . 1_545
H8 H4 3.5017 no . 7_565
H8 H12 3.3247 no . 5_555
H8 H14 3.4709 no . 1_545
H8 H15 2.9076 no . 1_545
H8 H16 2.9055 no . 1_545
H8 H18 3.1474 no . 5_555
H9 C2 3.2541 no . 7_565
H9 H4 2.6804 no . 7_565
H9 H5 2.9642 no . 7_565
H9 H9 2.8002 no . 7_565
H9 H18 3.4499 no . 5_555
H9 H19 3.5291 no . 5_565
H10 C9 3.4445 no . 5_565
H10 H2 3.0070 no . 5_555
H10 H4 3.4089 no . 7_565
H10 H13 2.6651 no . 5_565
H10 H18 3.2492 no . 5_555
H10 H19 2.9063 no . 5_565
H10 H23 3.3578 no . 5_555
H11 O1 3.1088 no . 1_545
H11 C10 3.2747 no . 1_545
H11 H12 2.9041 no . 5_555
H11 H15 2.9983 no . 1_545
H11 H16 2.7933 no . 1_545
H12 C1 3.3757 no . 5_555
H12 C3 3.0226 no . 5_555
H12 C8 3.0154 no . 5_555
H12 C9 3.4183 no . 5_555
H12 H1 3.5321 no . 5_555
H12 H2 2.9641 no . 5_555
H12 H6 2.9075 no . 5_555
H12 H8 3.3247 no . 5_555
H12 H11 2.9041 no . 5_555
H12 H12 2.8479 no . 5_555
H12 H15 2.8717 no . 5_565
H13 C1 3.2724 no . 1_565
H13 C5 3.5817 no . 5_565
H13 H1 2.9920 no . 1_565
H13 H1 3.5148 no . 5_555
H13 H2 2.8186 no . 1_565
H13 H2 3.1625 no . 5_555
H13 H10 2.6651 no . 5_565
H13 H15 2.9542 no . 5_565
H13 H23 3.3159 no . 1_565
H14 H5 2.7900 no . 1_565
H14 H8 3.4709 no . 1_565
H14 H14 3.1272 no . 7_575
H14 H19 3.3066 no . 3_455
H15 C9 3.1392 no . 5_565
H15 C12 3.0999 no . 5_565
H15 H5 3.3963 no . 1_565
H15 H8 2.9076 no . 1_565
H15 H11 2.9983 no . 1_565
H15 H12 2.8717 no . 5_565
H15 H13 2.9542 no . 5_565
H15 H18 3.0067 no . 5_565
H15 H19 2.6708 no . 5_565
H16 O3 3.2650 no . 1_565
H16 C2 3.4973 no . 1_565
H16 H5 2.6309 no . 1_565
H16 H8 2.9055 no . 1_565
H16 H11 2.7933 no . 1_565
H16 H17 3.2315 no . 2_565
H17 C13 3.4389 no . 2_545
H17 H3 3.3819 no . 3_545
H17 H16 3.2315 no . 2_545
H17 H20 2.4986 no . 2_545
H17 H21 3.5129 no . 3_545
H18 C2 3.2727 no . 3_545
H18 C5 3.4717 no . 5_555
H18 H3 3.2801 no . 3_545
H18 H4 2.4663 no . 3_545
H18 H8 3.1474 no . 5_555
H18 H9 3.4499 no . 5_555
H18 H10 3.2492 no . 5_555
H18 H15 3.0067 no . 5_565
H18 H22 3.3839 no . 3_545
H19 C5 3.5928 no . 5_565
H19 C10 3.5226 no . 5_565
H19 H4 3.3113 no . 3_545
H19 H9 3.5291 no . 5_565
H19 H10 2.9063 no . 5_565
H19 H14 3.3066 no . 3_545
H19 H15 2.6708 no . 5_565
H19 H22 3.1373 no . 3_545
H19 H23 3.1342 no . 1_565
H20 C11 3.2553 no . 2_565
H20 C14 3.4766 no . 2_565
H20 H3 2.9758 no . 4_455
H20 H17 2.4986 no . 2_565
H20 H21 3.1761 no . 4_455
H20 H23 3.4028 no . 2_565
H20 H24 3.1369 no . 2_565
H21 C2 3.4136 no . 4_455
H21 C13 3.3612 no . 4_445
H21 H3 2.5939 no . 4_455
H21 H5 3.5645 no . 4_455
H21 H7 3.3252 no . 3_455
H21 H17 3.5129 no . 3_455
H21 H20 3.1761 no . 4_445
H21 H21 3.3852 no . 4_445
H21 H21 3.3852 no . 4_455
H21 H22 2.9750 no . 4_445
H22 C4 3.1135 no . 3_455
H22 C12 3.4165 no . 3_455
H22 H3 3.4109 no . 4_455
H22 H5 3.4989 no . 1_565
H22 H7 2.5390 no . 3_455
H22 H18 3.3839 no . 3_455
H22 H19 3.1373 no . 3_455
H22 H21 2.9750 no . 4_455
H23 C2 3.2757 no . 3_545
H23 C4 3.5989 no . 1_545
H23 H3 2.6812 no . 3_545
H23 H4 3.0493 no . 3_545
H23 H7 3.2220 no . 1_545
H23 H10 3.3578 no . 5_555
H23 H13 3.3159 no . 1_545
H23 H19 3.1342 no . 1_545
H23 H20 3.4028 no . 2_545
H24 Rh1 3.1938 no . 1_545
H24 O2 3.0308 no . 2_545
H24 C4 3.5127 no . 1_545
H24 B1 3.2446 no . 2_545
H24 H7 3.2017 no . 1_545
H24 H20 3.1369 no . 2_545

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.

#==============================================================================
#     End of CIF
#==============================================================================
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_nsd122-2
_database_code_depnum_ccdc_archive 'CCDC 2001092'
loop_
_audit_author_name
_audit_author_address
'Yasushi Nishihara'
;Okayama University
Japan
;
_audit_update_record             
;
2020-05-05 deposited with the CCDC.	2021-02-17 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C32 H39 B O3 P Rh'
_chemical_formula_moiety         'C32 H39 B O3 P Rh'
_chemical_formula_weight         616.35
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      triclinic
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_space_group_IT_number           2
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   10.519(2)
_cell_length_b                   15.348(3)
_cell_length_c                   9.920(2)
_cell_angle_alpha                102.334(17)
_cell_angle_beta                 96.7914
_cell_angle_gamma                102.8655
_cell_volume                     1502.1(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    20
_cell_measurement_theta_min      9.44
_cell_measurement_theta_max      10.81
_cell_measurement_temperature    296
#------------------------------------------------------------------------------
_exptl_crystal_description       prismatic
_exptl_crystal_colour            'dark yellow'
_exptl_crystal_size_max          0.650
_exptl_crystal_size_mid          0.530
_exptl_crystal_size_min          0.300
_exptl_crystal_density_diffrn    1.363
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             640.00
_exptl_absorpt_coefficient_mu    0.651
_exptl_absorpt_correction_type   'psi scan'
_exptl_absorpt_process_details   
;
ψ scans (North,Phillips & Matthews, 1968)
;
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.893
_exptl_special_details           
;
The scan width was (1.68+0.30tanθ)° with an ω
scan speed of 16° per minute 
(up to 4 scans to achieve I/σ(I) > 10).
Stationary background counts were recorded at each end of the
scan, and the scan time:background time ratio was 2:1.
;

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      296
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_measurement_device_type  'Rigaku AFC5R'
_diffrn_measurement_method       ω-2θ
_diffrn_reflns_number            7269
_diffrn_reflns_av_R_equivalents  0.0145
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.669
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max ?
_diffrn_reflns_Laue_measured_fraction_full ?
_diffrn_reflns_point_group_measured_fraction_max ?
_diffrn_reflns_point_group_measured_fraction_full ?
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_standards_number         3
_diffrn_standards_interval_count 150
_diffrn_standards_decay_%        -0.925
_reflns_number_total             6894
_reflns_number_gt                6114
_reflns_threshold_expression     F²>2.0σ(F²)

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          ?
_refine_ls_R_factor_gt           0.0372
_refine_ls_wR_factor_ref         0.1021
_refine_ls_wR_factor_gt          ?
_refine_ls_number_restraints     ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         6894
_refine_ls_number_parameters     382
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    68800.7000    68778.3000    0.0000
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.000
_refine_diff_density_max         0.846
_refine_diff_density_min         -1.150
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
B B 0.0013 0.0007
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Rh Rh -1.1178 0.9187
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.20638(3) 0.34814(2) 0.28340(3) 0.03119(7) Uani 1 2 d . . .
P1 P 0.13413(9) 0.21553(6) 0.35910(9) 0.0328(2) Uani 1 2 d . . .
O1 O 0.3913(3) 0.2213(2) -0.0506(3) 0.0517(8) Uani 1 2 d . . .
O2 O 0.5076(3) 0.3092(2) 0.1647(3) 0.0523(8) Uani 1 2 d . . .
O3 O 0.2674(3) 0.26761(18) 0.1245(3) 0.0416(7) Uani 1 2 d . . .
C1 C -0.0805(5) 0.0558(3) 0.2697(5) 0.0561(13) Uani 1 2 d . . .
C2 C 0.5279(5) 0.2211(4) -0.0529(6) 0.0654(15) Uani 1 2 d . . .
C3 C -0.0262(6) 0.2492(4) 0.7759(5) 0.0655(16) Uani 1 2 d . . .
C4 C -0.0179(4) 0.1355(3) 0.0949(4) 0.0431(10) Uani 1 2 d . . .
C5 C 0.4784(7) 0.0773(5) 0.3898(6) 0.087(2) Uani 1 2 d . . .
C6 C 0.2073(4) 0.4472(3) 0.1547(4) 0.0462(11) Uani 1 2 d . . .
C7 C -0.1912(5) -0.0031(3) 0.0310(6) 0.0629(14) Uani 1 2 d . . .
C8 C 0.1503(5) 0.2285(3) 0.6495(4) 0.0510(12) Uani 1 2 d . . .
C9 C 0.0710(4) 0.2246(3) 0.5239(4) 0.0389(10) Uani 1 2 d . . .
C10 C 0.0870(5) 0.4842(4) 0.1684(5) 0.0597(15) Uani 1 2 d . . .
C11 C 0.1017(6) 0.2409(4) 0.7743(5) 0.0644(16) Uani 1 2 d . . .
C12 C 0.7291(6) 0.2897(5) 0.1545(8) 0.100(2) Uani 1 2 d . . .
C13 C 0.3969(4) 0.2101(4) 0.3960(5) 0.0556(14) Uani 1 2 d . . .
C14 C 0.0493(5) 0.4942(3) 0.3134(5) 0.0578(14) Uani 1 2 d . . .
C15 C 0.3262(5) 0.4763(3) 0.2490(5) 0.0501(12) Uani 1 2 d . . .
C16 C -0.1139(4) 0.0687(3) -0.0048(5) 0.0539(12) Uani 1 2 d . . .
C17 C 0.6394(9) 0.3949(5) 0.0381(10) 0.137(4) Uani 1 2 d . . .
C18 C -0.0587(4) 0.2334(3) 0.5263(5) 0.0476(12) Uani 1 2 d . . .
C19 C 0.6041(5) 0.3035(4) 0.0741(6) 0.0604(14) Uani 1 2 d . . .
C20 C 0.0000(4) 0.1289(3) 0.2327(4) 0.0384(9) Uani 1 2 d . . .
C21 C 0.5013(5) 0.1687(5) 0.4009(6) 0.077(2) Uani 1 2 d . . .
C22 C -0.1056(5) 0.2458(4) 0.6513(5) 0.0604(15) Uani 1 2 d . . .
C23 C 0.5570(8) 0.2232(7) -0.1953(7) 0.129(3) Uani 1 2 d . . .
C24 C 0.3538(5) 0.5560(3) 0.3795(6) 0.0648(15) Uani 1 2 d . . .
C25 C 0.2061(5) 0.4382(3) 0.4770(4) 0.0507(12) Uani 1 2 d . . .
C26 C 0.0838(5) 0.4231(3) 0.3869(4) 0.0463(11) Uani 1 2 d . . .
C27 C 0.3188(6) 0.5237(4) 0.5090(6) 0.0735(16) Uani 1 2 d . . .
C28 C -0.1752(5) -0.0108(3) 0.1682(6) 0.0659(15) Uani 1 2 d . . .
C29 C 0.2436(6) 0.0642(3) 0.3717(5) 0.0620(15) Uani 1 2 d . . .
C30 C 0.2670(4) 0.1578(3) 0.3795(4) 0.0407(10) Uani 1 2 d . . .
C31 C 0.3517(8) 0.0238(4) 0.3765(6) 0.087(2) Uani 1 2 d . . .
C32 C 0.5427(6) 0.1286(4) -0.0237(9) 0.104(3) Uani 1 2 d . . .
B1 B 0.3808(4) 0.2671(3) 0.0845(5) 0.0384(11) Uani 1 2 d . . .
H1 H -0.0709 0.05276 0.36288 0.0652 Uiso 1 2 calc R . .
H2 H -0.05881 0.25744 0.85962 0.0871 Uiso 1 2 calc R . .
H3 H 0.03509 0.18454 0.06991 0.0504 Uiso 1 2 calc R . .
H4 H 0.54899 0.05006 0.39236 0.1147 Uiso 1 2 calc R . .
H5 H 0.21626 0.42288 0.05759 0.0584 Uiso 1 2 calc R . .
H6 H -0.25583 -0.04713 -0.03692 0.0680 Uiso 1 2 calc R . .
H7 H 0.23612 0.22221 0.64856 0.0631 Uiso 1 2 calc R . .
H8 H 0.10582 0.54431 0.14766 0.0769 Uiso 1 2 calc R . .
H9 H 0.01282 0.44267 0.10039 0.0770 Uiso 1 2 calc R . .
H10 H 0.15554 0.24389 0.85749 0.0805 Uiso 1 2 calc R . .
H11 H 0.7061 0.23331 0.1836 0.1137 Uiso 1 2 calc R . .
H12 H 0.79411 0.28611 0.09467 0.1136 Uiso 1 2 calc R . .
H13 H 0.76492 0.34033 0.23548 0.1137 Uiso 1 2 calc R . .
H14 H 0.41279 0.27326 0.40462 0.0707 Uiso 1 2 calc R . .
H15 H 0.09649 0.55504 0.37055 0.0758 Uiso 1 2 calc R . .
H16 H -0.0453 0.48815 0.30405 0.0757 Uiso 1 2 calc R . .
H17 H 0.40421 0.46903 0.20716 0.0621 Uiso 1 2 calc R . .
H18 H -0.12547 0.07352 -0.09704 0.0606 Uiso 1 2 calc R . .
H19 H 0.67443 0.44367 0.12152 0.1752 Uiso 1 2 calc R . .
H20 H 0.70411 0.39473 -0.0226 0.1751 Uiso 1 2 calc R . .
H21 H 0.56067 0.40458 -0.00931 0.1751 Uiso 1 2 calc R . .
H22 H -0.11286 0.23052 0.44338 0.0610 Uiso 1 2 calc R . .
H23 H 0.58756 0.20402 0.41036 0.1016 Uiso 1 2 calc R . .
H24 H -0.19164 0.25161 0.65266 0.0810 Uiso 1 2 calc R . .
H25 H 0.50029 0.17079 -0.26384 0.1559 Uiso 1 2 calc R . .
H26 H 0.54209 0.2788 -0.21601 0.1559 Uiso 1 2 calc R . .
H27 H 0.64777 0.22266 -0.19776 0.1559 Uiso 1 2 calc R . .
H28 H 0.44698 0.58805 0.39797 0.0721 Uiso 1 2 calc R . .
H29 H 0.3009 0.59796 0.36183 0.0721 Uiso 1 2 calc R . .
H30 H 0.19899 0.40781 0.55427 0.0601 Uiso 1 2 calc R . .
H31 H 0.00776 0.38463 0.41304 0.0591 Uiso 1 2 calc R . .
H32 H 0.39595 0.51051 0.55607 0.0789 Uiso 1 2 calc R . .
H33 H 0.29387 0.57238 0.57169 0.0789 Uiso 1 2 calc R . .
H34 H -0.22645 -0.06105 0.19222 0.0748 Uiso 1 2 calc R . .
H35 H 0.15762 0.02904 0.36427 0.0749 Uiso 1 2 calc R . .
H36 H 0.33737 -0.03899 0.37072 0.1079 Uiso 1 2 calc R . .
H37 H 0.52031 0.12588 0.0666 0.1238 Uiso 1 2 calc R . .
H38 H 0.48404 0.07826 -0.09415 0.1238 Uiso 1 2 calc R . .
H39 H 0.63232 0.1243 -0.0243 0.1237 Uiso 1 2 calc R . .



#==============================================================================
_computing_data_collection       'MSC/AFC Diffractometer Control (Rigaku, 1998)'
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'MSC/AFC Diffractometer Control'
_computing_structure_solution    'DIRDIF99-PATTY (Gould, et al., 1999)'
_computing_structure_refinement  'CRYSTALS (Carruthers, et al., 1999)'
_computing_publication_material  'CrystalStructure 4.2.5 (Rigaku, 2017)'
_computing_molecular_graphics    'CrystalStructure 4.2.5'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Rh1 P1 2.3202(11) yes .
Rh1 O3 2.046(3) yes .
Rh1 C6 2.183(5) yes .
Rh1 C15 2.203(5) yes .
Rh1 C25 2.114(4) yes .
Rh1 C26 2.124(5) yes .
P1 C9 1.826(4) yes .
P1 C20 1.834(3) yes .
P1 C30 1.828(5) yes .
O1 C2 1.440(6) yes .
O1 B1 1.404(5) yes .
O2 C19 1.439(6) yes .
O2 B1 1.405(5) yes .
O3 B1 1.302(6) yes .
C1 C20 1.392(6) yes .
C1 C28 1.386(6) yes .
C2 C19 1.567(6) yes .
C2 C23 1.486(9) yes .
C2 C32 1.546(10) yes .
C3 C11 1.382(9) yes .
C3 C22 1.392(7) yes .
C4 C16 1.385(5) yes .
C4 C20 1.386(6) yes .
C5 C21 1.347(11) yes .
C5 C31 1.376(10) yes .
C6 C10 1.507(8) yes .
C6 C15 1.391(6) yes .
C7 C16 1.355(7) yes .
C7 C28 1.385(9) yes .
C8 C9 1.398(6) yes .
C8 C11 1.387(7) yes .
C9 C18 1.403(6) yes .
C10 C14 1.522(8) yes .
C12 C19 1.536(9) yes .
C13 C21 1.387(9) yes .
C13 C30 1.393(6) yes .
C14 C26 1.519(8) yes .
C15 C24 1.527(6) yes .
C17 C19 1.500(11) yes .
C18 C22 1.380(7) yes .
C24 C27 1.528(8) yes .
C25 C26 1.420(6) yes .
C25 C27 1.506(7) yes .
C29 C30 1.385(7) yes .
C29 C31 1.412(10) yes .
C1 H1 0.930 no .
C3 H2 0.930 no .
C4 H3 0.930 no .
C5 H4 0.930 no .
C6 H5 0.980 no .
C7 H6 0.930 no .
C8 H7 0.930 no .
C10 H8 0.970 no .
C10 H9 0.970 no .
C11 H10 0.930 no .
C12 H11 0.960 no .
C12 H12 0.960 no .
C12 H13 0.960 no .
C13 H14 0.930 no .
C14 H15 0.970 no .
C14 H16 0.970 no .
C15 H17 0.980 no .
C16 H18 0.930 no .
C17 H19 0.960 no .
C17 H20 0.960 no .
C17 H21 0.960 no .
C18 H22 0.930 no .
C21 H23 0.930 no .
C22 H24 0.930 no .
C23 H25 0.960 no .
C23 H26 0.960 no .
C23 H27 0.960 no .
C24 H28 0.970 no .
C24 H29 0.970 no .
C25 H30 0.980 no .
C26 H31 0.980 no .
C27 H32 0.970 no .
C27 H33 0.970 no .
C28 H34 0.930 no .
C29 H35 0.930 no .
C31 H36 0.930 no .
C32 H37 0.960 no .
C32 H38 0.960 no .
C32 H39 0.960 no .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
P1 Rh1 O3 87.10(9) yes . .
P1 Rh1 C6 158.50(10) yes . .
P1 Rh1 C15 164.16(13) yes . .
P1 Rh1 C25 94.08(13) yes . .
P1 Rh1 C26 95.97(13) yes . .
O3 Rh1 C6 87.45(15) yes . .
O3 Rh1 C15 92.36(15) yes . .
O3 Rh1 C25 161.89(16) yes . .
O3 Rh1 C26 158.69(13) yes . .
C6 Rh1 C15 36.97(16) yes . .
C6 Rh1 C25 97.50(17) yes . .
C6 Rh1 C26 82.00(18) yes . .
C15 Rh1 C25 81.60(17) yes . .
C15 Rh1 C26 90.28(17) yes . .
C25 Rh1 C26 39.15(18) yes . .
Rh1 P1 C9 119.17(14) yes . .
Rh1 P1 C20 112.86(14) yes . .
Rh1 P1 C30 110.74(14) yes . .
C9 P1 C20 103.38(17) yes . .
C9 P1 C30 104.71(19) yes . .
C20 P1 C30 104.69(17) yes . .
C2 O1 B1 108.4(3) yes . .
C19 O2 B1 108.6(3) yes . .
Rh1 O3 B1 134.7(2) yes . .
C20 C1 C28 119.9(5) yes . .
O1 C2 C19 103.1(4) yes . .
O1 C2 C23 109.2(5) yes . .
O1 C2 C32 106.2(4) yes . .
C19 C2 C23 118.9(5) yes . .
C19 C2 C32 110.3(5) yes . .
C23 C2 C32 108.4(6) yes . .
C11 C3 C22 119.4(5) yes . .
C16 C4 C20 119.8(4) yes . .
C21 C5 C31 120.7(7) yes . .
Rh1 C6 C10 108.2(3) yes . .
Rh1 C6 C15 72.3(3) yes . .
C10 C6 C15 126.3(4) yes . .
C16 C7 C28 120.4(4) yes . .
C9 C8 C11 120.6(5) yes . .
P1 C9 C8 122.0(3) yes . .
P1 C9 C18 119.1(3) yes . .
C8 C9 C18 118.8(4) yes . .
C6 C10 C14 113.6(4) yes . .
C3 C11 C8 120.3(5) yes . .
C21 C13 C30 120.5(5) yes . .
C10 C14 C26 113.3(4) yes . .
Rh1 C15 C6 70.7(3) yes . .
Rh1 C15 C24 111.3(3) yes . .
C6 C15 C24 123.1(5) yes . .
C4 C16 C7 120.7(5) yes . .
C9 C18 C22 119.9(4) yes . .
O2 C19 C2 102.8(3) yes . .
O2 C19 C12 109.2(5) yes . .
O2 C19 C17 106.4(5) yes . .
C2 C19 C12 115.4(5) yes . .
C2 C19 C17 114.2(5) yes . .
C12 C19 C17 108.2(5) yes . .
P1 C20 C1 122.3(3) yes . .
P1 C20 C4 118.3(3) yes . .
C1 C20 C4 119.4(3) yes . .
C5 C21 C13 120.4(5) yes . .
C3 C22 C18 120.9(5) yes . .
C15 C24 C27 112.6(4) yes . .
Rh1 C25 C26 70.8(2) yes . .
Rh1 C25 C27 111.3(3) yes . .
C26 C25 C27 125.3(5) yes . .
Rh1 C26 C14 112.9(3) yes . .
Rh1 C26 C25 70.1(3) yes . .
C14 C26 C25 123.3(4) yes . .
C24 C27 C25 113.9(4) yes . .
C1 C28 C7 119.7(5) yes . .
C30 C29 C31 119.2(5) yes . .
P1 C30 C13 117.8(4) yes . .
P1 C30 C29 123.0(3) yes . .
C13 C30 C29 119.2(5) yes . .
C5 C31 C29 120.0(6) yes . .
O1 B1 O2 110.0(4) yes . .
O1 B1 O3 122.7(3) yes . .
O2 B1 O3 127.3(4) yes . .
C20 C1 H1 119.400 no . .
C28 C1 H1 120.709 no . .
C11 C3 H2 120.311 no . .
C22 C3 H2 120.250 no . .
C16 C4 H3 120.433 no . .
C20 C4 H3 119.724 no . .
C21 C5 H4 119.830 no . .
C31 C5 H4 119.458 no . .
Rh1 C6 H5 113.668 no . .
C10 C6 H5 113.850 no . .
C15 C6 H5 114.132 no . .
C16 C7 H6 119.761 no . .
C28 C7 H6 119.852 no . .
C9 C8 H7 119.292 no . .
C11 C8 H7 120.097 no . .
C6 C10 H8 107.705 no . .
C6 C10 H9 108.511 no . .
C14 C10 H8 108.925 no . .
C14 C10 H9 108.528 no . .
H8 C10 H9 109.495 no . .
C3 C11 H10 119.723 no . .
C8 C11 H10 119.979 no . .
C19 C12 H11 108.783 no . .
C19 C12 H12 109.640 no . .
C19 C12 H13 110.074 no . .
H11 C12 H12 109.442 no . .
H11 C12 H13 109.445 no . .
H12 C12 H13 109.441 no . .
C21 C13 H14 120.335 no . .
C30 C13 H14 119.148 no . .
C10 C14 H15 108.296 no . .
C10 C14 H16 108.520 no . .
C26 C14 H15 108.225 no . .
C26 C14 H16 108.989 no . .
H15 C14 H16 109.500 no . .
Rh1 C15 H17 114.369 no . .
C6 C15 H17 114.715 no . .
C24 C15 H17 114.621 no . .
C4 C16 H18 119.413 no . .
C7 C16 H18 119.874 no . .
C19 C17 H19 110.420 no . .
C19 C17 H20 109.754 no . .
C19 C17 H21 108.316 no . .
H19 C17 H20 109.447 no . .
H19 C17 H21 109.440 no . .
H20 C17 H21 109.444 no . .
C9 C18 H22 119.741 no . .
C22 C18 H22 120.330 no . .
C5 C21 H23 119.682 no . .
C13 C21 H23 119.921 no . .
C3 C22 H24 119.326 no . .
C18 C22 H24 119.754 no . .
C2 C23 H25 110.438 no . .
C2 C23 H26 108.476 no . .
C2 C23 H27 109.578 no . .
H25 C23 H26 109.444 no . .
H25 C23 H27 109.445 no . .
H26 C23 H27 109.440 no . .
C15 C24 H28 109.110 no . .
C15 C24 H29 108.424 no . .
C27 C24 H28 108.814 no . .
C27 C24 H29 108.374 no . .
H28 C24 H29 109.497 no . .
Rh1 C25 H30 113.709 no . .
C26 C25 H30 113.766 no . .
C27 C25 H30 114.001 no . .
Rh1 C26 H31 114.293 no . .
C14 C26 H31 114.057 no . .
C25 C26 H31 114.559 no . .
C24 C27 H32 108.733 no . .
C24 C27 H33 109.106 no . .
C25 C27 H32 107.836 no . .
C25 C27 H33 107.698 no . .
H32 C27 H33 109.481 no . .
C1 C28 H34 119.834 no . .
C7 C28 H34 120.406 no . .
C30 C29 H35 119.969 no . .
C31 C29 H35 120.876 no . .
C5 C31 H36 119.891 no . .
C29 C31 H36 120.073 no . .
C2 C32 H37 108.683 no . .
C2 C32 H38 109.707 no . .
C2 C32 H39 110.105 no . .
H37 C32 H38 109.440 no . .
H37 C32 H39 109.441 no . .
H38 C32 H39 109.447 no . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
P1 Rh1 O3 B1 -120.0(3) no . . . .
O3 Rh1 P1 C9 174.15(9) no . . . .
O3 Rh1 P1 C20 -64.33(9) no . . . .
O3 Rh1 P1 C30 52.66(8) no . . . .
P1 Rh1 C6 C10 63.9(4) no . . . .
P1 Rh1 C6 C15 -172.80(17) no . . . .
C6 Rh1 P1 C9 -110.3(3) no . . . .
C6 Rh1 P1 C20 11.2(4) no . . . .
C6 Rh1 P1 C30 128.2(3) no . . . .
P1 Rh1 C25 C26 -94.44(15) no . . . .
P1 Rh1 C25 C27 144.2(3) no . . . .
C25 Rh1 P1 C9 12.25(15) no . . . .
C25 Rh1 P1 C20 133.78(15) no . . . .
C25 Rh1 P1 C30 -109.23(14) no . . . .
P1 Rh1 C26 C14 -152.13(18) no . . . .
P1 Rh1 C26 C25 89.14(15) no . . . .
C26 Rh1 P1 C9 -27.01(12) no . . . .
C26 Rh1 P1 C20 94.51(12) no . . . .
C26 Rh1 P1 C30 -148.50(11) no . . . .
O3 Rh1 C6 C10 139.33(18) no . . . .
O3 Rh1 C6 C15 -97.34(18) no . . . .
C6 Rh1 O3 B1 80.9(3) no . . . .
O3 Rh1 C15 C6 82.60(19) no . . . .
O3 Rh1 C15 C24 -158.4(3) no . . . .
C15 Rh1 O3 B1 44.2(3) no . . . .
O3 Rh1 C26 C14 -54.8(5) no . . . .
O3 Rh1 C26 C25 -173.5(3) no . . . .
C26 Rh1 O3 B1 141.0(4) no . . . .
C6 Rh1 C15 C6 0.0(2) no . . . .
C6 Rh1 C15 C24 119.0(4) no . . . .
C15 Rh1 C6 C10 -123.3(4) no . . . .
C15 Rh1 C6 C15 0.0(2) no . . . .
C6 Rh1 C25 C26 67.4(2) no . . . .
C6 Rh1 C25 C27 -54.0(3) no . . . .
C25 Rh1 C6 C10 -58.2(2) no . . . .
C25 Rh1 C6 C15 65.2(2) no . . . .
C6 Rh1 C26 C14 6.3(2) no . . . .
C6 Rh1 C26 C25 -112.42(18) no . . . .
C26 Rh1 C6 C10 -22.10(19) no . . . .
C26 Rh1 C6 C15 101.23(19) no . . . .
C15 Rh1 C25 C26 100.9(2) no . . . .
C15 Rh1 C25 C27 -20.5(3) no . . . .
C25 Rh1 C15 C6 -114.6(2) no . . . .
C25 Rh1 C15 C24 4.4(3) no . . . .
C15 Rh1 C26 C14 42.5(2) no . . . .
C15 Rh1 C26 C25 -76.28(19) no . . . .
C26 Rh1 C15 C6 -76.2(2) no . . . .
C26 Rh1 C15 C24 42.7(3) no . . . .
C25 Rh1 C26 C14 118.7(3) no . . . .
C25 Rh1 C26 C25 0.0(2) no . . . .
C26 Rh1 C25 C26 0.00(19) no . . . .
C26 Rh1 C25 C27 -121.4(4) no . . . .
Rh1 P1 C9 C8 -97.2(3) no . . . .
Rh1 P1 C9 C18 79.0(3) no . . . .
Rh1 P1 C20 C1 -163.1(2) no . . . .
Rh1 P1 C20 C4 19.2(3) no . . . .
Rh1 P1 C30 C13 21.3(3) no . . . .
Rh1 P1 C30 C29 -155.2(2) no . . . .
C9 P1 C20 C1 -33.0(3) no . . . .
C9 P1 C20 C4 149.2(3) no . . . .
C20 P1 C9 C8 136.6(3) no . . . .
C20 P1 C9 C18 -47.1(3) no . . . .
C9 P1 C30 C13 -108.4(3) no . . . .
C9 P1 C30 C29 75.1(3) no . . . .
C30 P1 C9 C8 27.2(3) no . . . .
C30 P1 C9 C18 -156.5(3) no . . . .
C20 P1 C30 C13 143.2(2) no . . . .
C20 P1 C30 C29 -33.3(3) no . . . .
C30 P1 C20 C1 76.4(3) no . . . .
C30 P1 C20 C4 -101.3(3) no . . . .
C2 O1 B1 O2 9.0(5) no . . . .
C2 O1 B1 O3 -170.5(4) no . . . .
B1 O1 C2 C19 -21.5(5) no . . . .
B1 O1 C2 C23 -148.8(4) no . . . .
B1 O1 C2 C32 94.5(4) no . . . .
C19 O2 B1 O1 9.2(5) no . . . .
C19 O2 B1 O3 -171.4(4) no . . . .
B1 O2 C19 C2 -21.7(5) no . . . .
B1 O2 C19 C12 -144.7(3) no . . . .
B1 O2 C19 C17 98.7(4) no . . . .
Rh1 O3 B1 O1 -161.1(2) no . . . .
Rh1 O3 B1 O2 19.6(7) no . . . .
C20 C1 C28 C7 -1.4(8) no . . . .
C28 C1 C20 P1 -176.1(4) no . . . .
C28 C1 C20 C4 1.5(7) no . . . .
O1 C2 C19 O2 26.1(5) no . . . .
O1 C2 C19 C12 144.9(4) no . . . .
O1 C2 C19 C17 -88.7(5) no . . . .
C23 C2 C19 O2 147.0(6) no . . . .
C23 C2 C19 C12 -94.2(7) no . . . .
C23 C2 C19 C17 32.1(8) no . . . .
C32 C2 C19 O2 -86.9(5) no . . . .
C32 C2 C19 C12 31.9(6) no . . . .
C32 C2 C19 C17 158.2(4) no . . . .
C11 C3 C22 C18 0.6(8) no . . . .
C22 C3 C11 C8 -0.5(8) no . . . .
C16 C4 C20 P1 176.8(4) no . . . .
C16 C4 C20 C1 -1.0(6) no . . . .
C20 C4 C16 C7 0.3(7) no . . . .
C21 C5 C31 C29 1.2(9) no . . . .
C31 C5 C21 C13 -1.4(9) no . . . .
Rh1 C6 C10 C14 34.8(4) no . . . .
Rh1 C6 C15 Rh1 -0.000(17) no . . . .
Rh1 C6 C15 C24 -103.4(4) no . . . .
C10 C6 C15 Rh1 99.9(5) no . . . .
C10 C6 C15 C24 -3.5(7) no . . . .
C15 C6 C10 C14 -46.2(6) no . . . .
C16 C7 C28 C1 0.7(8) no . . . .
C28 C7 C16 C4 -0.1(8) no . . . .
C9 C8 C11 C3 0.2(7) no . . . .
C11 C8 C9 P1 176.2(4) no . . . .
C11 C8 C9 C18 -0.0(6) no . . . .
P1 C9 C18 C22 -176.2(3) no . . . .
C8 C9 C18 C22 0.1(6) no . . . .
C6 C10 C14 C26 -31.1(5) no . . . .
C21 C13 C30 P1 -174.9(4) no . . . .
C21 C13 C30 C29 1.6(6) no . . . .
C30 C13 C21 C5 0.0(7) no . . . .
C10 C14 C26 Rh1 11.0(4) no . . . .
C10 C14 C26 C25 91.5(4) no . . . .
Rh1 C15 C24 C27 12.4(5) no . . . .
C6 C15 C24 C27 92.7(6) no . . . .
C9 C18 C22 C3 -0.4(7) no . . . .
C15 C24 C27 C25 -30.5(7) no . . . .
Rh1 C25 C26 Rh1 0.000(17) no . . . .
Rh1 C25 C26 C14 -104.9(4) no . . . .
Rh1 C25 C27 C24 34.0(6) no . . . .
C26 C25 C27 C24 -47.0(7) no . . . .
C27 C25 C26 Rh1 102.9(5) no . . . .
C27 C25 C26 C14 -1.9(7) no . . . .
C30 C29 C31 C5 0.5(8) no . . . .
C31 C29 C30 P1 174.6(4) no . . . .
C31 C29 C30 C13 -1.9(6) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Rh1 C4 3.555(4) no . .
Rh1 C13 3.482(6) no . .
O1 C17 3.170(8) no . .
O2 C13 3.204(6) no . .
O2 C15 3.543(6) no . .
O2 C21 3.503(8) no . .
O2 C32 3.118(8) no . .
O3 C2 3.548(6) no . .
O3 C4 3.167(5) no . .
O3 C13 3.252(6) no . .
O3 C19 3.573(6) no . .
O3 C20 3.552(5) no . .
O3 C30 3.326(5) no . .
C1 C9 3.167(5) no . .
C1 C16 2.759(7) no . .
C1 C18 3.254(6) no . .
C1 C29 3.405(8) no . .
C1 C30 3.575(6) no . .
C3 C9 2.795(7) no . .
C4 C28 2.764(7) no . .
C5 C30 2.776(9) no . .
C6 C27 3.429(6) no . .
C7 C20 2.767(5) no . .
C8 C22 2.765(8) no . .
C8 C30 3.161(6) no . .
C9 C25 3.422(6) no . .
C9 C26 3.574(6) no . .
C9 C29 3.562(7) no . .
C10 C24 3.118(7) no . .
C10 C25 3.443(7) no . .
C11 C18 2.780(7) no . .
C12 C23 3.542(9) no . .
C12 C32 2.870(8) no . .
C12 B1 3.572(8) no . .
C13 C31 2.752(9) no . .
C13 B1 3.382(7) no . .
C14 C15 3.112(7) no . .
C14 C24 3.078(7) no . .
C14 C27 3.124(8) no . .
C15 B1 3.479(7) no . .
C17 C23 2.993(11) no . .
C17 B1 3.125(10) no . .
C18 C20 3.210(6) no . .
C18 C26 3.592(7) no . .
C20 C29 3.214(7) no . .
C21 C29 2.772(8) no . .
C23 B1 3.545(9) no . .
C24 C26 3.125(7) no . .
C32 B1 3.105(9) no . .
O1 C7 3.594(6) no . 2_555
O1 C11 3.430(7) no . 1_554
O1 C28 3.384(5) no . 2_555
O3 C11 3.593(6) no . 1_554
C4 C7 3.476(7) no . 2_555
C5 C31 3.574(11) no . 2_656
C7 O1 3.594(6) no . 2_555
C7 C4 3.476(7) no . 2_555
C7 C16 3.592(7) no . 2_555
C11 O1 3.430(7) no . 1_556
C11 O3 3.593(6) no . 1_556
C14 C26 3.546(7) no . 2_566
C16 C7 3.592(7) no . 2_555
C16 C16 3.531(8) no . 2_555
C26 C14 3.546(7) no . 2_566
C28 O1 3.384(5) no . 2_555
C31 C5 3.574(11) no . 2_656
Rh1 H3 2.9745 no . .
Rh1 H9 3.3337 no . .
Rh1 H14 2.9267 no . .
Rh1 H15 3.5869 no . .
Rh1 H32 3.3370 no . .
P1 H1 2.9247 no . .
P1 H3 2.8340 no . .
P1 H7 2.9161 no . .
P1 H14 2.8180 no . .
P1 H22 2.8636 no . .
P1 H30 3.0452 no . .
P1 H31 3.1466 no . .
P1 H35 2.9379 no . .
O1 H21 2.8911 no . .
O1 H25 2.5802 no . .
O1 H26 2.5685 no . .
O1 H27 3.2137 no . .
O1 H37 2.5646 no . .
O1 H38 2.5700 no . .
O1 H39 3.2251 no . .
O2 H11 2.6147 no . .
O2 H12 3.2494 no . .
O2 H13 2.6229 no . .
O2 H14 2.7999 no . .
O2 H17 2.8691 no . .
O2 H19 2.5427 no . .
O2 H20 3.1925 no . .
O2 H21 2.5256 no . .
O2 H23 3.3245 no . .
O2 H37 2.8128 no . .
O3 H3 2.4278 no . .
O3 H5 2.7515 no . .
O3 H14 2.9838 no . .
O3 H17 2.9929 no . .
C1 H3 3.2382 no . .
C1 H6 3.2362 no . .
C1 H22 2.9748 no . .
C1 H35 2.7180 no . .
C2 H11 2.7697 no . .
C2 H12 2.8537 no . .
C2 H13 3.4343 no . .
C2 H19 3.3964 no . .
C2 H20 2.8199 no . .
C2 H21 2.6917 no . .
C3 H7 3.2392 no . .
C3 H22 3.2503 no . .
C4 H1 3.2351 no . .
C4 H6 3.2197 no . .
C5 H14 3.2097 no . .
C5 H35 3.2567 no . .
C5 H37 3.4980 no . .
C6 H15 2.9356 no . .
C6 H16 3.3056 no . .
C6 H28 3.2800 no . .
C6 H29 2.6496 no . .
C7 H1 3.2409 no . .
C7 H3 3.2195 no . .
C8 H2 3.2412 no . .
C8 H22 3.2513 no . .
C8 H30 3.0537 no . .
C9 H1 2.7605 no . .
C9 H10 3.2560 no . .
C9 H24 3.2487 no . .
C9 H30 2.7683 no . .
C9 H31 3.0640 no . .
C9 H35 3.4466 no . .
C10 H17 3.3792 no . .
C10 H29 2.7551 no . .
C10 H31 3.2277 no . .
C11 H24 3.2310 no . .
C12 H19 2.6291 no . .
C12 H20 2.6540 no . .
C12 H21 3.2899 no . .
C12 H23 3.4406 no . .
C12 H27 3.3718 no . .
C12 H37 2.8391 no . .
C12 H39 2.6698 no . .
C13 H4 3.2123 no . .
C13 H7 3.1807 no . .
C13 H35 3.2369 no . .
C14 H5 3.3832 no . .
C14 H29 2.6958 no . .
C14 H30 3.3675 no . .
C14 H33 3.2213 no . .
C15 H8 2.9070 no . .
C15 H9 3.3278 no . .
C15 H15 3.1811 no . .
C15 H32 2.9508 no . .
C15 H33 3.3165 no . .
C16 H34 3.2164 no . .
C17 H11 3.2855 no . .
C17 H12 2.6733 no . .
C17 H13 2.6196 no . .
C17 H17 3.4134 no . .
C17 H26 2.6898 no . .
C17 H27 3.1590 no . .
C18 H1 2.8645 no . .
C18 H2 3.2481 no . .
C18 H7 3.2494 no . .
C18 H30 3.2961 no . .
C18 H31 2.7775 no . .
C19 H25 3.4355 no . .
C19 H26 2.7982 no . .
C19 H27 2.8527 no . .
C19 H37 2.6531 no . .
C19 H38 3.3792 no . .
C19 H39 2.8083 no . .
C20 H18 3.2340 no . .
C20 H22 2.8684 no . .
C20 H34 3.2431 no . .
C20 H35 2.8768 no . .
C21 H11 3.3661 no . .
C21 H36 3.2015 no . .
C21 H37 3.2793 no . .
C22 H10 3.2348 no . .
C23 H12 3.3874 no . .
C23 H20 2.8096 no . .
C23 H21 2.9828 no . .
C23 H37 3.2818 no . .
C23 H38 2.6308 no . .
C23 H39 2.6700 no . .
C24 H5 3.3570 no . .
C24 H8 3.2133 no . .
C24 H15 2.6944 no . .
C24 H30 3.3956 no . .
C25 H15 2.6657 no . .
C25 H16 3.3047 no . .
C25 H28 3.3122 no . .
C25 H29 2.9483 no . .
C26 H8 3.3121 no . .
C26 H9 2.9475 no . .
C26 H22 3.4045 no . .
C26 H29 3.1888 no . .
C26 H32 3.3423 no . .
C26 H33 2.9130 no . .
C27 H15 2.7590 no . .
C27 H17 3.2214 no . .
C27 H31 3.3844 no . .
C28 H18 3.2176 no . .
C29 H1 3.2632 no . .
C29 H4 3.2534 no . .
C29 H7 3.2743 no . .
C29 H14 3.2308 no . .
C30 H1 3.5292 no . .
C30 H7 2.7259 no . .
C30 H23 3.2505 no . .
C30 H36 3.2516 no . .
C31 H23 3.2045 no . .
C32 H11 2.5075 no . .
C32 H12 3.0693 no . .
C32 H25 2.6132 no . .
C32 H26 3.2916 no . .
C32 H27 2.6629 no . .
B1 H3 3.5496 no . .
B1 H5 3.2846 no . .
B1 H14 3.1322 no . .
B1 H17 3.0202 no . .
B1 H19 3.5489 no . .
B1 H21 2.8937 no . .
B1 H37 2.8633 no . .
B1 H38 3.5194 no . .
H1 H22 2.8222 no . .
H1 H34 2.3245 no . .
H1 H35 2.5091 no . .
H2 H10 2.3122 no . .
H2 H24 2.3158 no . .
H3 H18 2.3131 no . .
H4 H23 2.2707 no . .
H4 H36 2.2970 no . .
H5 H8 2.4738 no . .
H5 H9 2.3025 no . .
H5 H17 2.2013 no . .
H5 H29 3.4579 no . .
H6 H18 2.2803 no . .
H6 H34 2.3193 no . .
H7 H10 2.3177 no . .
H7 H14 3.3390 no . .
H7 H30 3.2695 no . .
H7 H35 3.4946 no . .
H8 H15 2.1975 no . .
H8 H16 2.4943 no . .
H8 H29 2.6215 no . .
H9 H15 2.7791 no . .
H9 H16 2.1960 no . .
H9 H31 3.4080 no . .
H11 H19 3.4921 no . .
H11 H20 3.5357 no . .
H11 H23 2.7682 no . .
H11 H37 2.2575 no . .
H11 H38 3.4515 no . .
H11 H39 2.2857 no . .
H12 H19 2.9434 no . .
H12 H20 2.5100 no . .
H12 H21 3.5484 no . .
H12 H27 2.9670 no . .
H12 H37 3.2840 no . .
H12 H39 2.6168 no . .
H13 H19 2.4256 no . .
H13 H20 2.9026 no . .
H13 H21 3.4955 no . .
H13 H23 3.3831 no . .
H14 H23 2.3203 no . .
H15 H28 3.5772 no . .
H15 H29 2.1219 no . .
H15 H30 3.4598 no . .
H15 H31 2.7142 no . .
H15 H33 2.6288 no . .
H16 H29 3.5766 no . .
H16 H31 2.2341 no . .
H17 H19 3.1426 no . .
H17 H21 2.9920 no . .
H17 H28 2.2534 no . .
H17 H29 2.7397 no . .
H17 H32 3.3982 no . .
H20 H26 2.4839 no . .
H20 H27 2.7284 no . .
H21 H26 2.4527 no . .
H21 H27 3.3830 no . .
H22 H24 2.3111 no . .
H22 H31 2.5206 no . .
H23 H37 3.2974 no . .
H25 H37 3.4831 no . .
H25 H38 2.4210 no . .
H25 H39 2.9103 no . .
H26 H38 3.4979 no . .
H26 H39 3.5557 no . .
H27 H37 3.5342 no . .
H27 H38 2.9371 no . .
H27 H39 2.5166 no . .
H28 H32 2.2083 no . .
H28 H33 2.5066 no . .
H29 H32 2.7859 no . .
H29 H33 2.2060 no . .
H30 H31 2.2221 no . .
H30 H32 2.3027 no . .
H30 H33 2.4609 no . .
H31 H33 3.5943 no . .
H35 H36 2.3556 no . .
O1 H6 3.0852 no . 2_555
O1 H7 3.2322 no . 1_554
O1 H10 2.6620 no . 1_554
O1 H34 2.6605 no . 2_555
O2 H32 3.3417 no . 2_666
O2 H33 3.0804 no . 2_666
O3 H6 3.2798 no . 2_555
O3 H10 2.6818 no . 1_554
C1 H18 3.5923 no . 2_555
C2 H34 3.4706 no . 2_555
C3 H3 3.3139 no . 1_556
C3 H8 3.4102 no . 2_566
C3 H18 3.2334 no . 1_556
C3 H27 3.4104 no . 1_456
C4 H2 3.3358 no . 1_554
C4 H6 3.5005 no . 2_555
C4 H12 3.3611 no . 1_455
C5 H4 3.2060 no . 2_656
C5 H25 3.3881 no . 1_556
C5 H36 3.1244 no . 2_656
C5 H38 3.4871 no . 2_655
C6 H20 3.0188 no . 2_665
C7 H3 3.5624 no . 2_555
C7 H37 3.4633 no . 2_555
C7 H38 3.2239 no . 2_555
C7 H39 3.0662 no . 1_455
C8 H34 3.4724 no . 2_556
C10 H8 3.4132 no . 2_565
C10 H9 3.2575 no . 2_565
C10 H20 3.2332 no . 2_665
C11 H3 3.3373 no . 1_556
C11 H5 3.3913 no . 1_556
C11 H34 3.3686 no . 2_556
C12 H9 3.5358 no . 1_655
C12 H16 3.3353 no . 1_655
C12 H22 3.5296 no . 1_655
C12 H31 3.4661 no . 1_655
C12 H33 3.1372 no . 2_666
C13 H28 3.2730 no . 2_666
C14 H13 3.2635 no . 1_455
C14 H30 3.5390 no . 2_566
C14 H31 3.1481 no . 2_566
C15 H20 3.3288 no . 2_665
C15 H21 3.4607 no . 2_665
C15 H32 3.2488 no . 2_666
C16 H2 3.4122 no . 1_554
C16 H35 3.4925 no . 2_555
C16 H39 2.9767 no . 1_455
C17 H5 3.2570 no . 2_665
C17 H8 3.4976 no . 2_665
C17 H17 3.5807 no . 2_665
C18 H15 3.3162 no . 2_566
C19 H33 3.5313 no . 2_666
C21 H25 3.3207 no . 1_556
C22 H8 3.4083 no . 2_566
C22 H15 3.0921 no . 2_566
C22 H27 3.1354 no . 1_456
C22 H29 3.5005 no . 2_566
C22 H36 3.4919 no . 2_556
C23 H7 3.5386 no . 1_554
C23 H24 3.1886 no . 1_654
C23 H36 3.4657 no . 2_655
C24 H14 3.3131 no . 2_666
C24 H26 3.3472 no . 2_665
C24 H32 3.0750 no . 2_666
C25 H16 3.0868 no . 2_566
C26 H13 3.3493 no . 1_455
C26 H15 3.2432 no . 2_566
C26 H16 3.1899 no . 2_566
C26 H31 3.5764 no . 2_566
C27 H13 3.2621 no . 2_666
C27 H14 3.5757 no . 2_666
C27 H16 3.5948 no . 2_566
C27 H19 3.5814 no . 2_666
C27 H28 3.4471 no . 2_666
C27 H32 3.2727 no . 2_666
C28 H10 3.5856 no . 2_556
C28 H38 3.1266 no . 2_555
C29 H6 3.2949 no . 2_555
C29 H18 3.0008 no . 2_555
C30 H6 3.4345 no . 2_555
C31 H4 2.9509 no . 2_656
C31 H6 3.5162 no . 2_555
C31 H18 3.2659 no . 2_555
C32 H6 3.1787 no . 2_555
C32 H34 3.3685 no . 2_555
C32 H38 3.5769 no . 2_655
B1 H6 3.2480 no . 2_555
B1 H10 2.9723 no . 1_554
H1 H35 3.3557 no . 2_556
H2 C4 3.3358 no . 1_556
H2 C16 3.4122 no . 1_556
H2 H3 2.7535 no . 1_556
H2 H5 3.4541 no . 1_556
H2 H8 3.2037 no . 2_566
H2 H9 3.1740 no . 1_556
H2 H12 2.9568 no . 1_456
H2 H18 2.8902 no . 1_556
H2 H27 2.9760 no . 1_456
H3 C3 3.3139 no . 1_554
H3 C7 3.5624 no . 2_555
H3 C11 3.3373 no . 1_554
H3 H2 2.7535 no . 1_554
H3 H6 3.4659 no . 2_555
H3 H10 2.7952 no . 1_554
H3 H12 3.2650 no . 1_455
H4 C5 3.2060 no . 2_656
H4 C31 2.9509 no . 2_656
H4 H4 3.0335 no . 2_656
H4 H25 3.2556 no . 2_655
H4 H36 2.5648 no . 2_656
H4 H38 3.1168 no . 2_655
H5 C11 3.3913 no . 1_554
H5 C17 3.2570 no . 2_665
H5 H2 3.4541 no . 1_554
H5 H10 2.9128 no . 1_554
H5 H19 3.1087 no . 2_665
H5 H20 2.8458 no . 2_665
H5 H21 3.2847 no . 2_665
H6 O1 3.0852 no . 2_555
H6 O3 3.2798 no . 2_555
H6 C4 3.5005 no . 2_555
H6 C29 3.2949 no . 2_555
H6 C30 3.4345 no . 2_555
H6 C31 3.5162 no . 2_555
H6 C32 3.1787 no . 2_555
H6 B1 3.2480 no . 2_555
H6 H3 3.4659 no . 2_555
H6 H35 3.5695 no . 2_555
H6 H37 2.7285 no . 2_555
H6 H38 2.8592 no . 2_555
H6 H39 3.0977 no . 1_455
H7 O1 3.2322 no . 1_556
H7 C23 3.5386 no . 1_556
H7 H25 3.1303 no . 1_556
H7 H26 3.1863 no . 1_556
H7 H34 3.1967 no . 2_556
H8 C3 3.4102 no . 2_566
H8 C10 3.4132 no . 2_565
H8 C17 3.4976 no . 2_665
H8 C22 3.4083 no . 2_566
H8 H2 3.2037 no . 2_566
H8 H8 3.2857 no . 2_565
H8 H9 2.6921 no . 2_565
H8 H20 2.5810 no . 2_665
H8 H24 3.1964 no . 2_566
H9 C10 3.2575 no . 2_565
H9 C12 3.5358 no . 1_455
H9 H2 3.1740 no . 1_554
H9 H8 2.6921 no . 2_565
H9 H9 2.9528 no . 2_565
H9 H12 2.9188 no . 1_455
H9 H13 3.3114 no . 1_455
H9 H19 3.5937 no . 1_455
H9 H20 3.1923 no . 1_455
H10 O1 2.6620 no . 1_556
H10 O3 2.6818 no . 1_556
H10 C28 3.5856 no . 2_556
H10 B1 2.9723 no . 1_556
H10 H3 2.7952 no . 1_556
H10 H5 2.9128 no . 1_556
H10 H34 3.0171 no . 2_556
H11 H22 3.0320 no . 1_655
H11 H33 3.4196 no . 2_666
H12 C4 3.3611 no . 1_655
H12 H2 2.9568 no . 1_654
H12 H3 3.2650 no . 1_655
H12 H9 2.9188 no . 1_655
H12 H16 3.2969 no . 1_655
H12 H31 3.4756 no . 1_655
H13 C14 3.2635 no . 1_655
H13 C26 3.3493 no . 1_655
H13 C27 3.2621 no . 2_666
H13 H9 3.3114 no . 1_655
H13 H16 2.5687 no . 1_655
H13 H22 3.2512 no . 1_655
H13 H31 2.7823 no . 1_655
H13 H32 3.5932 no . 2_666
H13 H33 2.3218 no . 2_666
H14 C24 3.3131 no . 2_666
H14 C27 3.5757 no . 2_666
H14 H28 2.5845 no . 2_666
H14 H29 3.4767 no . 2_666
H14 H32 3.3915 no . 2_666
H14 H33 3.3948 no . 2_666
H15 C18 3.3162 no . 2_566
H15 C22 3.0921 no . 2_566
H15 C26 3.2432 no . 2_566
H15 H16 3.5094 no . 2_566
H15 H22 3.3684 no . 2_566
H15 H24 2.9808 no . 2_566
H15 H30 3.4203 no . 2_566
H15 H31 2.6132 no . 2_566
H16 C12 3.3353 no . 1_455
H16 C25 3.0868 no . 2_566
H16 C26 3.1899 no . 2_566
H16 C27 3.5948 no . 2_566
H16 H12 3.2969 no . 1_455
H16 H13 2.5687 no . 1_455
H16 H15 3.5094 no . 2_566
H16 H19 3.1225 no . 1_455
H16 H30 2.8049 no . 2_566
H16 H31 2.9831 no . 2_566
H16 H33 3.0642 no . 2_566
H17 C17 3.5807 no . 2_665
H17 H20 3.3506 no . 2_665
H17 H21 3.0382 no . 2_665
H17 H32 2.8736 no . 2_666
H18 C1 3.5923 no . 2_555
H18 C3 3.2334 no . 1_554
H18 C29 3.0008 no . 2_555
H18 C31 3.2659 no . 2_555
H18 H2 2.8902 no . 1_554
H18 H35 2.7181 no . 2_555
H18 H36 3.1699 no . 2_555
H18 H39 2.9494 no . 1_455
H19 C27 3.5814 no . 2_666
H19 H5 3.1087 no . 2_665
H19 H9 3.5937 no . 1_655
H19 H16 3.1225 no . 1_655
H19 H30 3.4376 no . 2_666
H19 H32 3.3322 no . 2_666
H19 H33 3.0905 no . 2_666
H20 C6 3.0188 no . 2_665
H20 C10 3.2332 no . 2_665
H20 C15 3.3288 no . 2_665
H20 H5 2.8458 no . 2_665
H20 H8 2.5810 no . 2_665
H20 H9 3.1923 no . 1_655
H20 H17 3.3506 no . 2_665
H20 H29 3.3856 no . 2_665
H21 C15 3.4607 no . 2_665
H21 H5 3.2847 no . 2_665
H21 H17 3.0382 no . 2_665
H21 H21 3.4253 no . 2_665
H22 C12 3.5296 no . 1_455
H22 H11 3.0320 no . 1_455
H22 H13 3.2512 no . 1_455
H22 H15 3.3684 no . 2_566
H22 H23 3.0548 no . 1_455
H23 H22 3.0548 no . 1_655
H23 H24 2.9799 no . 1_655
H23 H25 3.5702 no . 1_556
H23 H28 3.4669 no . 2_666
H23 H29 3.2514 no . 2_666
H23 H33 3.3385 no . 2_666
H24 C23 3.1886 no . 1_456
H24 H8 3.1964 no . 2_566
H24 H15 2.9808 no . 2_566
H24 H23 2.9799 no . 1_455
H24 H25 3.4656 no . 1_456
H24 H26 3.2967 no . 1_456
H24 H27 2.4069 no . 1_456
H24 H29 2.8208 no . 2_566
H24 H36 3.2277 no . 2_556
H25 C5 3.3881 no . 1_554
H25 C21 3.3207 no . 1_554
H25 H4 3.2556 no . 2_655
H25 H7 3.1303 no . 1_554
H25 H23 3.5702 no . 1_554
H25 H24 3.4656 no . 1_654
H25 H34 3.2364 no . 2_555
H25 H36 3.0303 no . 2_655
H26 C24 3.3472 no . 2_665
H26 H7 3.1863 no . 1_554
H26 H24 3.2967 no . 1_654
H26 H28 2.9947 no . 2_665
H26 H29 2.9565 no . 2_665
H27 C3 3.4104 no . 1_654
H27 C22 3.1354 no . 1_654
H27 H2 2.9760 no . 1_654
H27 H24 2.4069 no . 1_654
H27 H29 3.4614 no . 2_665
H27 H36 3.0180 no . 2_655
H28 C13 3.2730 no . 2_666
H28 C27 3.4471 no . 2_666
H28 H14 2.5845 no . 2_666
H28 H23 3.4669 no . 2_666
H28 H26 2.9947 no . 2_665
H28 H32 2.5408 no . 2_666
H29 C22 3.5005 no . 2_566
H29 H14 3.4767 no . 2_666
H29 H20 3.3856 no . 2_665
H29 H23 3.2514 no . 2_666
H29 H24 2.8208 no . 2_566
H29 H26 2.9565 no . 2_665
H29 H27 3.4614 no . 2_665
H30 C14 3.5390 no . 2_566
H30 H15 3.4203 no . 2_566
H30 H16 2.8049 no . 2_566
H30 H19 3.4376 no . 2_666
H31 C12 3.4661 no . 1_455
H31 C14 3.1481 no . 2_566
H31 C26 3.5764 no . 2_566
H31 H12 3.4756 no . 1_455
H31 H13 2.7823 no . 1_455
H31 H15 2.6132 no . 2_566
H31 H16 2.9831 no . 2_566
H31 H33 3.3955 no . 2_566
H32 O2 3.3417 no . 2_666
H32 C15 3.2488 no . 2_666
H32 C24 3.0750 no . 2_666
H32 C27 3.2727 no . 2_666
H32 H13 3.5932 no . 2_666
H32 H14 3.3915 no . 2_666
H32 H17 2.8736 no . 2_666
H32 H19 3.3322 no . 2_666
H32 H28 2.5408 no . 2_666
H32 H32 2.6212 no . 2_666
H33 O2 3.0804 no . 2_666
H33 C12 3.1372 no . 2_666
H33 C19 3.5313 no . 2_666
H33 H11 3.4196 no . 2_666
H33 H13 2.3218 no . 2_666
H33 H14 3.3948 no . 2_666
H33 H16 3.0642 no . 2_566
H33 H19 3.0905 no . 2_666
H33 H23 3.3385 no . 2_666
H33 H31 3.3955 no . 2_566
H34 O1 2.6605 no . 2_555
H34 C2 3.4706 no . 2_555
H34 C8 3.4724 no . 2_556
H34 C11 3.3686 no . 2_556
H34 C32 3.3685 no . 2_555
H34 H7 3.1967 no . 2_556
H34 H10 3.0171 no . 2_556
H34 H25 3.2364 no . 2_555
H34 H37 3.5777 no . 2_555
H34 H38 2.7031 no . 2_555
H35 C16 3.4925 no . 2_555
H35 H1 3.3557 no . 2_556
H35 H6 3.5695 no . 2_555
H35 H18 2.7181 no . 2_555
H36 C5 3.1244 no . 2_656
H36 C22 3.4919 no . 2_556
H36 C23 3.4657 no . 2_655
H36 H4 2.5648 no . 2_656
H36 H18 3.1699 no . 2_555
H36 H24 3.2277 no . 2_556
H36 H25 3.0303 no . 2_655
H36 H27 3.0180 no . 2_655
H36 H38 3.5266 no . 2_655
H36 H39 3.4855 no . 2_655
H37 C7 3.4633 no . 2_555
H37 H6 2.7285 no . 2_555
H37 H34 3.5777 no . 2_555
H37 H38 3.1935 no . 2_655
H38 C5 3.4871 no . 2_655
H38 C7 3.2239 no . 2_555
H38 C28 3.1266 no . 2_555
H38 C32 3.5769 no . 2_655
H38 H4 3.1168 no . 2_655
H38 H6 2.8592 no . 2_555
H38 H34 2.7031 no . 2_555
H38 H36 3.5266 no . 2_655
H38 H37 3.1935 no . 2_655
H38 H38 3.3914 no . 2_655
H38 H39 3.5708 no . 2_655
H39 C7 3.0662 no . 1_655
H39 C16 2.9767 no . 1_655
H39 H6 3.0977 no . 1_655
H39 H18 2.9494 no . 1_655
H39 H36 3.4855 no . 2_655
H39 H38 3.5708 no . 2_655

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.

#==============================================================================
#     End of CIF
#==============================================================================
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelxs
_database_code_depnum_ccdc_archive 'CCDC 2001093'
loop_
_audit_author_name
_audit_author_address
'Yasushi Nishihara'
;Okayama University
Japan
;
_audit_update_record             
;
2020-05-05 deposited with the CCDC.	2021-02-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H36 P Rh'
_chemical_formula_sum            'C37.60 H36 P Rh'
_chemical_formula_weight         621.74

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'
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/n'

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                   10.443(3)
_cell_length_b                   22.412(3)
_cell_length_c                   14.037(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 102.93
_cell_angle_gamma                90.00
_cell_volume                     3202.1(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    20
_cell_measurement_theta_min      9.4
_cell_measurement_theta_max      10.7

_exptl_crystal_description       prismatic
_exptl_crystal_colour            'dark orange'
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    1.290
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1286
_exptl_absorpt_coefficient_mu    0.606
_exptl_absorpt_correction_type   'psi scan'
_exptl_absorpt_correction_T_min  1.000
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   
;
ψ scans (North,Phillips & Matthews, 1968)
;
_exptl_special_details           
;
The scan width was (1.15+0.30tanθ)° with an ω
scan speed of 4° per minute 
(up to 4 scans to achieve I/σ(I) > 10).
Stationary background counts were recorded at each end of the
scan, and the scan time:background time ratio was 2:1.
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku AFC5R'
_diffrn_measurement_method       ω-2θ
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         3
_diffrn_standards_interval_count 150
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        -5.36
_diffrn_reflns_number            7351
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0506
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.70
_diffrn_reflns_theta_max         27.50
_reflns_number_total             7351
_reflns_number_gt                5142
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_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)+(0.0448P)²+0.8430P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7351
_refine_ls_number_parameters     390
_refine_ls_number_restraints     27
_refine_ls_R_factor_all          0.0716
_refine_ls_R_factor_gt           0.0371
_refine_ls_wR_factor_ref         0.1062
_refine_ls_wR_factor_gt          0.0919
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_restrained_S_all      1.008
_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 0.43725(2) 0.179473(11) 0.275780(18) 0.04231(8) Uani 1 1 d . . .
P1 P 0.48925(8) 0.10226(3) 0.18072(6) 0.03954(17) Uani 1 1 d . . .
C1 C 0.6316(3) 0.20391(14) 0.3125(2) 0.0436(7) Uani 1 1 d . . .
C2 C 0.6879(3) 0.24219(15) 0.2548(3) 0.0528(8) Uani 1 1 d . . .
C3 C 0.8196(4) 0.25979(18) 0.2866(4) 0.0719(12) Uani 1 1 d . . .
H1 H 0.8570 0.2850 0.2477 0.086 Uiso 1 1 calc R . .
C4 C 0.8938(4) 0.2403(2) 0.3743(4) 0.0836(15) Uani 1 1 d . . .
H2 H 0.9804 0.2528 0.3950 0.100 Uiso 1 1 calc R . .
C5 C 0.8408(4) 0.2025(2) 0.4310(3) 0.0756(13) Uani 1 1 d . . .
H3 H 0.8921 0.1893 0.4901 0.091 Uiso 1 1 calc R . .
C6 C 0.7114(3) 0.18350(16) 0.4020(3) 0.0561(8) Uani 1 1 d . . .
C7 C 0.6106(4) 0.26408(17) 0.1573(3) 0.0692(11) Uani 1 1 d . . .
H4 H 0.6649 0.2898 0.1283 0.104 Uiso 1 1 calc R . .
H5 H 0.5351 0.2858 0.1664 0.104 Uiso 1 1 calc R . .
H6 H 0.5827 0.2306 0.1150 0.104 Uiso 1 1 calc R . .
C8 C 0.6598(5) 0.1404(2) 0.4661(3) 0.0775(12) Uani 1 1 d . . .
H7 H 0.5697 0.1313 0.4372 0.116 Uiso 1 1 calc R . .
H8 H 0.6659 0.1579 0.5294 0.116 Uiso 1 1 calc R . .
H9 H 0.7109 0.1044 0.4727 0.116 Uiso 1 1 calc R . .
C9 C 0.3887(3) 0.27123(15) 0.3075(3) 0.0545(8) Uani 1 1 d . . .
H10 H 0.4615 0.2992 0.3099 0.065 Uiso 1 1 calc R . .
C10 C 0.4002(4) 0.23849(17) 0.3912(3) 0.0569(9) Uani 1 1 d . . .
H11 H 0.4792 0.2478 0.4414 0.068 Uiso 1 1 calc R . .
C11 C 0.2860(4) 0.2168(2) 0.4324(3) 0.0783(13) Uani 1 1 d . . .
H12 H 0.3133 0.2155 0.5031 0.094 Uiso 1 1 calc R . .
H13 H 0.2145 0.2452 0.4154 0.094 Uiso 1 1 calc R . .
C12 C 0.2366(5) 0.1559(2) 0.3952(4) 0.0874(14) Uani 1 1 d . . .
H14 H 0.2847 0.1260 0.4390 0.105 Uiso 1 1 calc R . .
H15 H 0.1449 0.1527 0.3980 0.105 Uiso 1 1 calc R . .
C13 C 0.2484(4) 0.14153(19) 0.2931(4) 0.0703(11) Uani 1 1 d . . .
H16 H 0.2373 0.0991 0.2763 0.084 Uiso 1 1 calc R . .
C14 C 0.2185(3) 0.1786(2) 0.2149(3) 0.0687(11) Uani 1 1 d . . .
H17 H 0.1919 0.1579 0.1521 0.082 Uiso 1 1 calc R . .
C15 C 0.1614(4) 0.2409(2) 0.2148(3) 0.0786(13) Uani 1 1 d . . .
H18 H 0.1043 0.2486 0.1513 0.094 Uiso 1 1 calc R . .
H19 H 0.1081 0.2427 0.2632 0.094 Uiso 1 1 calc R . .
C16 C 0.2654(4) 0.2892(2) 0.2368(3) 0.0783(12) Uani 1 1 d . . .
H20 H 0.2874 0.3013 0.1760 0.094 Uiso 1 1 calc R . .
H21 H 0.2286 0.3237 0.2628 0.094 Uiso 1 1 calc R . .
C17 C 0.3546(3) 0.08849(14) 0.0752(2) 0.0452(7) Uani 1 1 d . . .
C18 C 0.2842(4) 0.03626(16) 0.0594(3) 0.0595(9) Uani 1 1 d . . .
H22 H 0.3105 0.0035 0.0997 0.071 Uiso 1 1 calc R . .
C19 C 0.1735(4) 0.0323(2) -0.0168(4) 0.0810(13) Uani 1 1 d . . .
H23 H 0.1258 -0.0031 -0.0268 0.097 Uiso 1 1 calc R . .
C20 C 0.1339(4) 0.0804(2) -0.0776(3) 0.0811(13) Uani 1 1 d . . .
H24 H 0.0599 0.0775 -0.1286 0.097 Uiso 1 1 calc R . .
C21 C 0.2039(4) 0.1322(2) -0.0625(3) 0.0724(11) Uani 1 1 d . . .
H25 H 0.1780 0.1648 -0.1034 0.087 Uiso 1 1 calc R . .
C22 C 0.3120(4) 0.13644(17) 0.0127(3) 0.0597(9) Uani 1 1 d . . .
H26 H 0.3584 0.1722 0.0226 0.072 Uiso 1 1 calc R . .
C23 C 0.5168(3) 0.02889(14) 0.2385(2) 0.0451(7) Uani 1 1 d . . .
C24 C 0.5727(4) -0.01740(15) 0.1962(3) 0.0594(9) Uani 1 1 d . . .
H27 H 0.6003 -0.0107 0.1385 0.071 Uiso 1 1 calc R . .
C25 C 0.5879(5) -0.07328(18) 0.2388(3) 0.0784(13) Uani 1 1 d . . .
H28 H 0.6261 -0.1038 0.2099 0.094 Uiso 1 1 calc R . .
C26 C 0.5472(5) -0.08396(19) 0.3233(4) 0.0867(15) Uani 1 1 d . . .
H29 H 0.5573 -0.1217 0.3516 0.104 Uiso 1 1 calc R . .
C27 C 0.4913(5) -0.0388(2) 0.3660(3) 0.0848(14) Uani 1 1 d . . .
H30 H 0.4632 -0.0460 0.4233 0.102 Uiso 1 1 calc R . .
C28 C 0.4765(4) 0.01731(17) 0.3242(3) 0.0627(10) Uani 1 1 d . . .
H31 H 0.4391 0.0477 0.3541 0.075 Uiso 1 1 calc R . .
C29 C 0.6345(3) 0.10952(13) 0.1279(2) 0.0457(7) Uani 1 1 d . . .
C30 C 0.7570(3) 0.11073(16) 0.1914(3) 0.0599(9) Uani 1 1 d . . .
H32 H 0.7634 0.1049 0.2579 0.072 Uiso 1 1 calc R . .
C31 C 0.8699(4) 0.12042(19) 0.1573(4) 0.0790(13) Uani 1 1 d . . .
H33 H 0.9514 0.1210 0.2008 0.095 Uiso 1 1 calc R . .
C32 C 0.8617(5) 0.1291(2) 0.0595(4) 0.0859(15) Uani 1 1 d . . .
H34 H 0.9372 0.1368 0.0367 0.103 Uiso 1 1 calc R . .
C33 C 0.7422(5) 0.12656(19) -0.0043(4) 0.0827(14) Uani 1 1 d . . .
H35 H 0.7368 0.1316 -0.0708 0.099 Uiso 1 1 calc R . .
C34 C 0.6280(4) 0.11653(16) 0.0291(3) 0.0602(9) Uani 1 1 d . . .
H36 H 0.5472 0.1145 -0.0152 0.072 Uiso 1 1 calc R . .
C44 C 1.080(4) 0.0561(16) 0.571(2) 0.141(14) Uiso 0.20 1 d PD . 2
C49 C 1.113(6) 0.004(3) 0.510(2) 0.24(4) Uiso 0.20 1 d PD . 2
C50 C 1.002(6) -0.026(2) 0.505(2) 0.19(2) Uiso 0.20 1 d PD . 1
C52 C 1.080(4) 0.004(3) 0.598(2) 0.20(2) Uiso 0.20 1 d PD . 1
C53 C 1.100(5) -0.018(3) 0.334(3) 0.124(16) Uiso 0.20 1 d PD . 2
C54 C 1.048(4) 0.027(2) 0.662(3) 0.165(19) Uiso 0.20 1 d PD . 2
C62 C 1.071(5) -0.002(3) 0.521(2) 0.22(4) Uiso 0.20 1 d PD . 3
C64 C 1.019(3) 0.0001(13) 0.4084(18) 0.322(17) Uiso 0.60 1 d PD . .
C65 C 0.990(7) 0.042(2) 0.567(4) 0.27(4) Uiso 0.20 1 d PD . 3
C66 C 1.035(5) -0.0561(16) 0.347(3) 0.156(18) Uiso 0.20 1 d PD . 1
C67 C 0.959(5) -0.0622(17) 0.376(4) 0.172(19) Uiso 0.20 1 d PD . 3
C68 C 0.988(4) -0.0003(19) 0.670(2) 0.129(13) Uiso 0.20 1 d PD . 1
C70 C 0.883(4) 0.004(2) 0.598(3) 0.147(15) Uiso 0.20 1 d PD . 3
C72 C 1.138(4) -0.043(2) 0.287(3) 0.132(13) Uiso 0.20 1 d PD . 1
C71 C 0.905(4) 0.044(3) 0.665(4) 0.135(19) Uiso 0.20 1 d PD . 2
C73 C 0.901(5) 0.009(3) 0.709(3) 0.158(19) Uiso 0.20 1 d PD . 3


_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 C1 2.053(3) . ?
Rh1 C9 2.187(3) . ?
Rh1 C10 2.192(3) . ?
Rh1 C13 2.211(4) . ?
Rh1 C14 2.253(4) . ?
Rh1 P1 2.3226(8) . ?
P1 C17 1.826(3) . ?
P1 C23 1.827(3) . ?
P1 C29 1.839(3) . ?
C1 C2 1.398(5) . ?
C1 C6 1.419(5) . ?
C2 C3 1.404(5) . ?
C2 C7 1.507(5) . ?
C3 C4 1.371(7) . ?
C4 C5 1.361(7) . ?
C5 C6 1.388(5) . ?
C6 C8 1.500(6) . ?
C9 C10 1.368(5) . ?
C9 C16 1.495(5) . ?
C10 C11 1.517(5) . ?
C11 C12 1.511(6) . ?
C12 C13 1.500(6) . ?
C13 C14 1.357(6) . ?
C14 C15 1.517(6) . ?
C15 C16 1.517(6) . ?
C17 C18 1.374(5) . ?
C17 C22 1.395(5) . ?
C18 C19 1.391(5) . ?
C19 C20 1.380(6) . ?
C20 C21 1.364(6) . ?
C21 C22 1.365(5) . ?
C23 C28 1.386(5) . ?
C23 C24 1.388(5) . ?
C24 C25 1.382(5) . ?
C25 C26 1.367(6) . ?
C26 C27 1.372(6) . ?
C27 C28 1.382(5) . ?
C29 C34 1.382(5) . ?
C29 C30 1.386(5) . ?
C30 C31 1.386(5) . ?
C31 C32 1.371(7) . ?
C32 C33 1.365(7) . ?
C33 C34 1.394(5) . ?
C44 C54 1.54(2) . ?
C44 C49 1.54(2) . ?
C44 C64 1.70(5) 3_756 ?
C49 C64 1.54(2) . ?
C49 C64 1.99(7) 3_756 ?
C50 C50 1.16(9) 3_756 ?
C50 C64 1.40(4) 3_756 ?
C50 C64 1.522(19) . ?
C50 C52 1.53(2) . ?
C50 C52 1.58(7) 3_756 ?
C52 C64 1.03(5) 3_756 ?
C52 C68 1.55(2) . ?
C52 C50 1.58(7) 3_756 ?
C52 C66 1.95(7) 3_756 ?
C53 C71 0.58(8) 3_756 ?
C53 C64 1.534(19) . ?
C53 C54 1.57(7) 3_756 ?
C54 C64 1.24(5) 3_756 ?
C54 C71 1.54(2) . ?
C54 C53 1.57(7) 3_756 ?
C62 C62 1.47(9) 3_756 ?
C62 C64 1.52(5) 3_756 ?
C62 C65 1.53(7) 3_756 ?
C62 C65 1.54(2) . ?
C62 C64 1.55(2) . ?
C62 C70 1.83(7) 3_756 ?
C64 C65 1.01(6) 3_756 ?
C64 C52 1.03(5) 3_756 ?
C64 C70 1.05(5) 3_756 ?
C64 C68 1.08(4) 3_756 ?
C64 C54 1.24(5) 3_756 ?
C64 C50 1.40(4) 3_756 ?
C64 C62 1.52(5) 3_756 ?
C64 C66 1.553(19) . ?
C65 C67 0.97(7) 3_756 ?
C65 C64 1.01(6) 3_756 ?
C65 C62 1.53(7) 3_756 ?
C65 C70 1.54(2) . ?
C66 C68 1.30(5) 3_756 ?
C66 C72 1.54(2) . ?
C66 C52 1.95(7) 3_756 ?
C67 C65 0.97(7) 3_756 ?
C68 C64 1.08(4) 3_756 ?
C68 C66 1.30(5) 3_756 ?
C68 C72 1.84(5) 3_756 ?
C70 C64 1.05(5) 3_756 ?
C70 C73 1.54(2) . ?
C70 C62 1.83(7) 3_756 ?
C72 C68 1.84(5) 3_756 ?
C71 C53 0.58(8) 3_756 ?
C71 C64 1.73(6) 3_756 ?
C73 C64 2.02(5) 3_756 ?

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
C1 Rh1 C9 87.65(13) . . ?
C1 Rh1 C10 88.92(13) . . ?
C9 Rh1 C10 36.41(13) . . ?
C1 Rh1 C13 158.58(16) . . ?
C9 Rh1 C13 94.95(14) . . ?
C10 Rh1 C13 80.88(15) . . ?
C1 Rh1 C14 163.49(16) . . ?
C9 Rh1 C14 79.84(14) . . ?
C10 Rh1 C14 87.36(14) . . ?
C13 Rh1 C14 35.39(15) . . ?
C1 Rh1 P1 89.89(8) . . ?
C9 Rh1 P1 155.77(10) . . ?
C10 Rh1 P1 167.65(11) . . ?
C13 Rh1 P1 96.07(11) . . ?
C14 Rh1 P1 97.09(11) . . ?
C17 P1 C23 102.93(14) . . ?
C17 P1 C29 104.07(15) . . ?
C23 P1 C29 101.32(15) . . ?
C17 P1 Rh1 110.80(11) . . ?
C23 P1 Rh1 116.71(10) . . ?
C29 P1 Rh1 119.07(10) . . ?
C2 C1 C6 118.1(3) . . ?
C2 C1 Rh1 122.6(3) . . ?
C6 C1 Rh1 119.2(2) . . ?
C1 C2 C3 119.8(4) . . ?
C1 C2 C7 121.1(3) . . ?
C3 C2 C7 119.0(4) . . ?
C4 C3 C2 120.8(4) . . ?
C5 C4 C3 120.1(4) . . ?
C4 C5 C6 121.1(4) . . ?
C5 C6 C1 120.1(4) . . ?
C5 C6 C8 118.6(4) . . ?
C1 C6 C8 121.3(3) . . ?
C10 C9 C16 127.7(4) . . ?
C10 C9 Rh1 72.0(2) . . ?
C16 C9 Rh1 108.9(3) . . ?
C9 C10 C11 125.0(4) . . ?
C9 C10 Rh1 71.62(19) . . ?
C11 C10 Rh1 111.8(3) . . ?
C12 C11 C10 113.3(3) . . ?
C13 C12 C11 115.4(4) . . ?
C14 C13 C12 126.0(4) . . ?
C14 C13 Rh1 74.0(2) . . ?
C12 C13 Rh1 106.8(3) . . ?
C13 C14 C15 125.7(4) . . ?
C13 C14 Rh1 70.6(2) . . ?
C15 C14 Rh1 111.0(3) . . ?
C16 C15 C14 113.2(3) . . ?
C9 C16 C15 114.4(4) . . ?
C18 C17 C22 118.1(3) . . ?
C18 C17 P1 124.2(3) . . ?
C22 C17 P1 117.3(3) . . ?
C17 C18 C19 120.1(4) . . ?
C20 C19 C18 120.6(4) . . ?
C21 C20 C19 119.5(4) . . ?
C20 C21 C22 120.1(4) . . ?
C21 C22 C17 121.7(4) . . ?
C28 C23 C24 118.1(3) . . ?
C28 C23 P1 120.4(3) . . ?
C24 C23 P1 121.5(2) . . ?
C25 C24 C23 120.7(4) . . ?
C26 C25 C24 120.4(4) . . ?
C25 C26 C27 119.7(4) . . ?
C26 C27 C28 120.2(4) . . ?
C27 C28 C23 120.8(4) . . ?
C34 C29 C30 118.4(3) . . ?
C34 C29 P1 123.7(3) . . ?
C30 C29 P1 117.9(3) . . ?
C29 C30 C31 121.0(4) . . ?
C32 C31 C30 120.1(4) . . ?
C33 C32 C31 119.6(4) . . ?
C32 C33 C34 120.8(4) . . ?
C29 C34 C33 120.1(4) . . ?
C54 C44 C49 105(2) . . ?
C54 C44 C64 45(2) . 3_756 ?
C49 C44 C64 76(3) . 3_756 ?
C64 C49 C44 112(3) . . ?
C64 C49 C64 99(3) . 3_756 ?
C44 C49 C64 56(2) . 3_756 ?
C50 C50 C64 72(3) 3_756 3_756 ?
C50 C50 C64 61(2) 3_756 . ?
C64 C50 C64 134(4) 3_756 . ?
C50 C50 C52 71(4) 3_756 . ?
C64 C50 C52 41(2) 3_756 . ?
C64 C50 C52 116(3) . . ?
C50 C50 C52 66(4) 3_756 3_756 ?
C64 C50 C52 120(4) 3_756 3_756 ?
C64 C50 C52 39(2) . 3_756 ?
C52 C50 C52 136(3) . 3_756 ?
C64 C52 C50 63(3) 3_756 . ?
C64 C52 C68 44(3) 3_756 . ?
C50 C52 C68 103(2) . . ?
C64 C52 C50 68(4) 3_756 3_756 ?
C50 C52 C50 44(3) . 3_756 ?
C68 C52 C50 109(4) . 3_756 ?
C64 C52 C66 52(3) 3_756 3_756 ?
C50 C52 C66 110(4) . 3_756 ?
C68 C52 C66 42(2) . 3_756 ?
C50 C52 C66 86(3) 3_756 3_756 ?
C71 C53 C64 100(7) 3_756 . ?
C71 C53 C54 77(6) 3_756 3_756 ?
C64 C53 C54 47(2) . 3_756 ?
C64 C54 C44 74(3) 3_756 . ?
C64 C54 C71 76(3) 3_756 . ?
C44 C54 C71 108(3) . . ?
C64 C54 C53 65(3) 3_756 3_756 ?
C44 C54 C53 119(4) . 3_756 ?
C71 C54 C53 22(3) . 3_756 ?
C62 C62 C64 62(3) 3_756 3_756 ?
C62 C62 C65 62(3) 3_756 3_756 ?
C64 C62 C65 110(4) 3_756 3_756 ?
C62 C62 C65 61(3) 3_756 . ?
C64 C62 C65 39(3) 3_756 . ?
C65 C62 C65 123(4) 3_756 . ?
C62 C62 C64 60(2) 3_756 . ?
C64 C62 C64 123(3) 3_756 . ?
C65 C62 C64 39(2) 3_756 . ?
C65 C62 C64 108(3) . . ?
C62 C62 C70 95(3) 3_756 3_756 ?
C64 C62 C70 158(4) 3_756 3_756 ?
C65 C62 C70 53.7(18) 3_756 3_756 ?
C65 C62 C70 132(3) . 3_756 ?
C64 C62 C70 34.8(18) . 3_756 ?
C65 C64 C52 76(6) 3_756 3_756 ?
C65 C64 C70 97(5) 3_756 3_756 ?
C52 C64 C70 166(5) 3_756 3_756 ?
C65 C64 C68 111(4) 3_756 3_756 ?
C52 C64 C68 94(4) 3_756 3_756 ?
C70 C64 C68 77(3) 3_756 3_756 ?
C65 C64 C54 75(4) 3_756 3_756 ?
C52 C64 C54 60(3) 3_756 3_756 ?
C70 C64 C54 106(3) 3_756 3_756 ?
C68 C64 C54 45(3) 3_756 3_756 ?
C65 C64 C50 92(4) 3_756 3_756 ?
C52 C64 C50 76(3) 3_756 3_756 ?
C70 C64 C50 117(4) 3_756 3_756 ?
C68 C64 C50 152(5) 3_756 3_756 ?
C54 C64 C50 136(4) 3_756 3_756 ?
C65 C64 C62 72(3) 3_756 3_756 ?
C52 C64 C62 45(2) 3_756 3_756 ?
C70 C64 C62 145(4) 3_756 3_756 ?
C68 C64 C62 139(4) 3_756 3_756 ?
C54 C64 C62 103(3) 3_756 3_756 ?
C50 C64 C62 34(3) 3_756 3_756 ?
C65 C64 C50 46(3) 3_756 . ?
C52 C64 C50 74(4) 3_756 . ?
C70 C64 C50 111(4) 3_756 . ?
C68 C64 C50 155(3) 3_756 . ?
C54 C64 C50 111(3) 3_756 . ?
C50 C64 C50 46(4) 3_756 . ?
C62 C64 C50 38(3) 3_756 . ?
C65 C64 C53 96(4) 3_756 . ?
C52 C64 C53 128(4) 3_756 . ?
C70 C64 C53 39(3) 3_756 . ?
C68 C64 C53 40(3) 3_756 . ?
C54 C64 C53 68(3) 3_756 . ?
C50 C64 C53 156(4) 3_756 . ?
C62 C64 C53 166(4) 3_756 . ?
C50 C64 C53 134(4) . . ?
C65 C64 C49 80(5) 3_756 . ?
C52 C64 C49 120(4) 3_756 . ?
C70 C64 C49 69(3) 3_756 . ?
C68 C64 C49 145(4) 3_756 . ?
C54 C64 C49 153(4) 3_756 . ?
C50 C64 C49 51(3) 3_756 . ?
C62 C64 C49 76(3) 3_756 . ?
C50 C64 C49 51(4) . . ?
C53 C64 C49 108(2) . . ?
C65 C64 C62 70(4) 3_756 . ?
C52 C64 C62 101(4) 3_756 . ?
C70 C64 C62 88(4) 3_756 . ?
C68 C64 C62 164(4) 3_756 . ?
C54 C64 C62 143(4) 3_756 . ?
C50 C64 C62 39(3) 3_756 . ?
C62 C64 C62 57(3) 3_756 . ?
C50 C64 C62 33(3) . . ?
C53 C64 C62 124(4) . . ?
C49 C64 C62 19(4) . . ?
C65 C64 C66 58(3) 3_756 . ?
C52 C64 C66 96(4) 3_756 . ?
C70 C64 C66 70(3) 3_756 . ?
C68 C64 C66 56(3) 3_756 . ?
C54 C64 C66 43(3) 3_756 . ?
C50 C64 C66 150(4) 3_756 . ?
C62 C64 C66 123(3) 3_756 . ?
C50 C64 C66 104(2) . . ?
C53 C64 C66 43(3) . . ?
C49 C64 C66 115(3) . . ?
C62 C64 C66 119(4) . . ?
C67 C65 C64 103(6) 3_756 3_756 ?
C67 C65 C62 170(10) 3_756 3_756 ?
C64 C65 C62 72(4) 3_756 3_756 ?
C67 C65 C70 109(5) 3_756 . ?
C64 C65 C70 42(3) 3_756 . ?
C62 C65 C70 73(4) 3_756 . ?
C67 C65 C62 113(8) 3_756 . ?
C64 C65 C62 69(3) 3_756 . ?
C62 C65 C62 57(4) 3_756 . ?
C70 C65 C62 105(3) . . ?
C68 C66 C72 80(3) 3_756 . ?
C68 C66 C64 44(2) 3_756 . ?
C72 C66 C64 108(2) . . ?
C68 C66 C52 53(2) 3_756 3_756 ?
C72 C66 C52 132(3) . 3_756 ?
C64 C66 C52 31.8(19) . 3_756 ?
C65 C67 C64 39(4) 3_756 . ?
C64 C68 C66 81(3) 3_756 3_756 ?
C64 C68 C52 42(3) 3_756 . ?
C66 C68 C52 86(4) 3_756 . ?
C64 C68 C72 116(4) 3_756 3_756 ?
C66 C68 C72 56(2) 3_756 3_756 ?
C52 C68 C72 141(4) . 3_756 ?
C64 C70 C65 41(3) 3_756 . ?
C64 C70 C73 101(4) 3_756 . ?
C65 C70 C73 108(2) . . ?
C64 C70 C62 58(3) 3_756 3_756 ?
C65 C70 C62 53(3) . 3_756 ?
C73 C70 C62 158(4) . 3_756 ?
C66 C72 C68 44(2) . 3_756 ?
C53 C71 C54 82(7) 3_756 . ?
C53 C71 C64 60(6) 3_756 3_756 ?
C54 C71 C64 44(2) . 3_756 ?
C70 C73 C64 30.6(18) . 3_756 ?

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
C1 Rh1 P1 C17 -147.48(15) . . . . ?
C9 Rh1 P1 C17 -63.5(3) . . . . ?
C10 Rh1 P1 C17 128.1(5) . . . . ?
C13 Rh1 P1 C17 53.14(17) . . . . ?
C14 Rh1 P1 C17 17.52(17) . . . . ?
C1 Rh1 P1 C23 95.18(15) . . . . ?
C9 Rh1 P1 C23 179.2(3) . . . . ?
C10 Rh1 P1 C23 10.7(5) . . . . ?
C13 Rh1 P1 C23 -64.20(18) . . . . ?
C14 Rh1 P1 C23 -99.82(17) . . . . ?
C1 Rh1 P1 C29 -26.90(16) . . . . ?
C9 Rh1 P1 C29 57.1(3) . . . . ?
C10 Rh1 P1 C29 -111.3(5) . . . . ?
C13 Rh1 P1 C29 173.72(18) . . . . ?
C14 Rh1 P1 C29 138.10(18) . . . . ?
C9 Rh1 C1 C2 -69.8(3) . . . . ?
C10 Rh1 C1 C2 -106.2(3) . . . . ?
C13 Rh1 C1 C2 -167.4(3) . . . . ?
C14 Rh1 C1 C2 -29.3(6) . . . . ?
P1 Rh1 C1 C2 86.0(3) . . . . ?
C9 Rh1 C1 C6 107.4(3) . . . . ?
C10 Rh1 C1 C6 71.0(3) . . . . ?
C13 Rh1 C1 C6 9.8(5) . . . . ?
C14 Rh1 C1 C6 147.9(4) . . . . ?
P1 Rh1 C1 C6 -96.8(2) . . . . ?
C6 C1 C2 C3 -0.7(5) . . . . ?
Rh1 C1 C2 C3 176.5(2) . . . . ?
C6 C1 C2 C7 178.0(3) . . . . ?
Rh1 C1 C2 C7 -4.8(4) . . . . ?
C1 C2 C3 C4 -0.5(5) . . . . ?
C7 C2 C3 C4 -179.2(4) . . . . ?
C2 C3 C4 C5 1.1(6) . . . . ?
C3 C4 C5 C6 -0.5(6) . . . . ?
C4 C5 C6 C1 -0.8(6) . . . . ?
C4 C5 C6 C8 178.1(4) . . . . ?
C2 C1 C6 C5 1.3(5) . . . . ?
Rh1 C1 C6 C5 -176.0(3) . . . . ?
C2 C1 C6 C8 -177.5(3) . . . . ?
Rh1 C1 C6 C8 5.2(4) . . . . ?
C1 Rh1 C9 C10 -91.4(2) . . . . ?
C13 Rh1 C9 C10 67.3(3) . . . . ?
C14 Rh1 C9 C10 99.4(2) . . . . ?
P1 Rh1 C9 C10 -175.87(19) . . . . ?
C1 Rh1 C9 C16 143.9(3) . . . . ?
C10 Rh1 C9 C16 -124.7(4) . . . . ?
C13 Rh1 C9 C16 -57.4(3) . . . . ?
C14 Rh1 C9 C16 -25.2(3) . . . . ?
P1 Rh1 C9 C16 59.4(4) . . . . ?
C16 C9 C10 C11 -4.0(6) . . . . ?
Rh1 C9 C10 C11 -104.2(4) . . . . ?
C16 C9 C10 Rh1 100.2(4) . . . . ?
C1 Rh1 C10 C9 87.5(2) . . . . ?
C13 Rh1 C10 C9 -111.4(3) . . . . ?
C14 Rh1 C10 C9 -76.4(2) . . . . ?
P1 Rh1 C10 C9 172.0(4) . . . . ?
C1 Rh1 C10 C11 -151.3(3) . . . . ?
C9 Rh1 C10 C11 121.2(4) . . . . ?
C13 Rh1 C10 C11 9.8(3) . . . . ?
C14 Rh1 C10 C11 44.8(3) . . . . ?
P1 Rh1 C10 C11 -66.7(6) . . . . ?
C9 C10 C11 C12 90.3(5) . . . . ?
Rh1 C10 C11 C12 8.0(5) . . . . ?
C10 C11 C12 C13 -32.0(6) . . . . ?
C11 C12 C13 C14 -43.7(6) . . . . ?
C11 C12 C13 Rh1 38.4(5) . . . . ?
C1 Rh1 C13 C14 160.9(3) . . . . ?
C9 Rh1 C13 C14 64.7(3) . . . . ?
C10 Rh1 C13 C14 98.4(3) . . . . ?
P1 Rh1 C13 C14 -93.7(2) . . . . ?
C1 Rh1 C13 C12 37.3(6) . . . . ?
C9 Rh1 C13 C12 -58.9(3) . . . . ?
C10 Rh1 C13 C12 -25.2(3) . . . . ?
C14 Rh1 C13 C12 -123.6(4) . . . . ?
P1 Rh1 C13 C12 142.7(3) . . . . ?
C12 C13 C14 C15 -3.0(6) . . . . ?
Rh1 C13 C14 C15 -102.4(4) . . . . ?
C12 C13 C14 Rh1 99.4(4) . . . . ?
C1 Rh1 C14 C13 -155.1(4) . . . . ?
C9 Rh1 C14 C13 -113.8(3) . . . . ?
C10 Rh1 C14 C13 -77.9(3) . . . . ?
P1 Rh1 C14 C13 90.5(2) . . . . ?
C1 Rh1 C14 C15 -33.3(6) . . . . ?
C9 Rh1 C14 C15 8.0(3) . . . . ?
C10 Rh1 C14 C15 43.9(3) . . . . ?
C13 Rh1 C14 C15 121.8(4) . . . . ?
P1 Rh1 C14 C15 -147.7(3) . . . . ?
C13 C14 C15 C16 91.5(5) . . . . ?
Rh1 C14 C15 C16 10.9(5) . . . . ?
C10 C9 C16 C15 -41.3(6) . . . . ?
Rh1 C9 C16 C15 40.1(4) . . . . ?
C14 C15 C16 C9 -34.3(6) . . . . ?
C23 P1 C17 C18 9.2(3) . . . . ?
C29 P1 C17 C18 114.6(3) . . . . ?
Rh1 P1 C17 C18 -116.3(3) . . . . ?
C23 P1 C17 C22 -178.0(3) . . . . ?
C29 P1 C17 C22 -72.6(3) . . . . ?
Rh1 P1 C17 C22 56.5(3) . . . . ?
C22 C17 C18 C19 -0.3(6) . . . . ?
P1 C17 C18 C19 172.5(3) . . . . ?
C17 C18 C19 C20 0.5(7) . . . . ?
C18 C19 C20 C21 -0.2(7) . . . . ?
C19 C20 C21 C22 -0.3(7) . . . . ?
C20 C21 C22 C17 0.5(6) . . . . ?
C18 C17 C22 C21 -0.2(6) . . . . ?
P1 C17 C22 C21 -173.5(3) . . . . ?
C17 P1 C23 C28 -106.0(3) . . . . ?
C29 P1 C23 C28 146.6(3) . . . . ?
Rh1 P1 C23 C28 15.6(3) . . . . ?
C17 P1 C23 C24 71.1(3) . . . . ?
C29 P1 C23 C24 -36.4(3) . . . . ?
Rh1 P1 C23 C24 -167.3(3) . . . . ?
C28 C23 C24 C25 -0.2(6) . . . . ?
P1 C23 C24 C25 -177.3(3) . . . . ?
C23 C24 C25 C26 0.4(7) . . . . ?
C24 C25 C26 C27 -0.2(8) . . . . ?
C25 C26 C27 C28 -0.2(8) . . . . ?
C26 C27 C28 C23 0.5(7) . . . . ?
C24 C23 C28 C27 -0.3(6) . . . . ?
P1 C23 C28 C27 176.9(4) . . . . ?
C17 P1 C29 C34 13.2(3) . . . . ?
C23 P1 C29 C34 119.8(3) . . . . ?
Rh1 P1 C29 C34 -110.7(3) . . . . ?
C17 P1 C29 C30 -169.8(3) . . . . ?
C23 P1 C29 C30 -63.2(3) . . . . ?
Rh1 P1 C29 C30 66.3(3) . . . . ?
C34 C29 C30 C31 1.8(5) . . . . ?
P1 C29 C30 C31 -175.3(3) . . . . ?
C29 C30 C31 C32 0.2(6) . . . . ?
C30 C31 C32 C33 -1.8(7) . . . . ?
C31 C32 C33 C34 1.5(7) . . . . ?
C30 C29 C34 C33 -2.2(5) . . . . ?
P1 C29 C34 C33 174.8(3) . . . . ?
C32 C33 C34 C29 0.5(6) . . . . ?
C54 C44 C49 C64 119(5) . . . . ?
C64 C44 C49 C64 85(5) 3_756 . . . ?
C54 C44 C49 C64 34(2) . . . 3_756 ?
C50 C50 C52 C64 85(5) 3_756 . . 3_756 ?
C64 C50 C52 C64 127(5) . . . 3_756 ?
C52 C50 C52 C64 85(5) 3_756 . . 3_756 ?
C50 C50 C52 C68 104(5) 3_756 . . . ?
C64 C50 C52 C68 18(3) 3_756 . . . ?
C64 C50 C52 C68 146(4) . . . . ?
C52 C50 C52 C68 104(5) 3_756 . . . ?
C64 C50 C52 C50 -85(5) 3_756 . . 3_756 ?
C64 C50 C52 C50 42(3) . . . 3_756 ?
C52 C50 C52 C50 0.003(5) 3_756 . . 3_756 ?
C50 C50 C52 C66 60(5) 3_756 . . 3_756 ?
C64 C50 C52 C66 -25(3) 3_756 . . 3_756 ?
C64 C50 C52 C66 103(4) . . . 3_756 ?
C52 C50 C52 C66 60(5) 3_756 . . 3_756 ?
C49 C44 C54 C64 -50(4) . . . 3_756 ?
C49 C44 C54 C71 -119(5) . . . . ?
C64 C44 C54 C71 -69(4) 3_756 . . . ?
C49 C44 C54 C53 -99(5) . . . 3_756 ?
C64 C44 C54 C53 -49(4) 3_756 . . 3_756 ?
C50 C50 C64 C65 -173(9) 3_756 . . 3_756 ?
C64 C50 C64 C65 -173(9) 3_756 . . 3_756 ?
C52 C50 C64 C65 141(8) . . . 3_756 ?
C52 C50 C64 C65 -87(8) 3_756 . . 3_756 ?
C50 C50 C64 C52 -86(5) 3_756 . . 3_756 ?
C64 C50 C64 C52 -86(5) 3_756 . . 3_756 ?
C52 C50 C64 C52 -132(4) . . . 3_756 ?
C50 C50 C64 C70 108(7) 3_756 . . 3_756 ?
C64 C50 C64 C70 108(7) 3_756 . . 3_756 ?
C52 C50 C64 C70 62(6) . . . 3_756 ?
C52 C50 C64 C70 -166(6) 3_756 . . 3_756 ?
C50 C50 C64 C68 -149(9) 3_756 . . 3_756 ?
C64 C50 C64 C68 -149(9) 3_756 . . 3_756 ?
C52 C50 C64 C68 165(8) . . . 3_756 ?
C52 C50 C64 C68 -63(9) 3_756 . . 3_756 ?
C50 C50 C64 C54 -134(5) 3_756 . . 3_756 ?
C64 C50 C64 C54 -134(5) 3_756 . . 3_756 ?
C52 C50 C64 C54 180(4) . . . 3_756 ?
C52 C50 C64 C54 -48(4) 3_756 . . 3_756 ?
C64 C50 C64 C50 -0.001(4) 3_756 . . 3_756 ?
C52 C50 C64 C50 -46(4) . . . 3_756 ?
C52 C50 C64 C50 86(5) 3_756 . . 3_756 ?
C50 C50 C64 C62 -51(5) 3_756 . . 3_756 ?
C64 C50 C64 C62 -51(5) 3_756 . . 3_756 ?
C52 C50 C64 C62 -97(5) . . . 3_756 ?
C52 C50 C64 C62 35(5) 3_756 . . 3_756 ?
C50 C50 C64 C53 146(6) 3_756 . . . ?
C64 C50 C64 C53 146(6) 3_756 . . . ?
C52 C50 C64 C53 100(5) . . . . ?
C52 C50 C64 C53 -128(5) 3_756 . . . ?
C50 C50 C64 C49 70(5) 3_756 . . . ?
C64 C50 C64 C49 70(5) 3_756 . . . ?
C52 C50 C64 C49 24(4) . . . . ?
C52 C50 C64 C49 156(5) 3_756 . . . ?
C50 C50 C64 C62 60(5) 3_756 . . . ?
C64 C50 C64 C62 60(5) 3_756 . . . ?
C52 C50 C64 C62 14(5) . . . . ?
C52 C50 C64 C62 146(7) 3_756 . . . ?
C50 C50 C64 C66 -178(6) 3_756 . . . ?
C64 C50 C64 C66 -178(6) 3_756 . . . ?
C52 C50 C64 C66 136(5) . . . . ?
C52 C50 C64 C66 -92(4) 3_756 . . . ?
C71 C53 C64 C65 10(10) 3_756 . . 3_756 ?
C54 C53 C64 C65 71(5) 3_756 . . 3_756 ?
C71 C53 C64 C52 -67(12) 3_756 . . 3_756 ?
C54 C53 C64 C52 -6(7) 3_756 . . 3_756 ?
C71 C53 C64 C70 104(12) 3_756 . . 3_756 ?
C54 C53 C64 C70 164(8) 3_756 . . 3_756 ?
C71 C53 C64 C68 -106(11) 3_756 . . 3_756 ?
C54 C53 C64 C68 -45(5) 3_756 . . 3_756 ?
C71 C53 C64 C54 -61(9) 3_756 . . 3_756 ?
C71 C53 C64 C50 118(11) 3_756 . . 3_756 ?
C54 C53 C64 C50 179(11) 3_756 . . 3_756 ?
C71 C53 C64 C62 -12(21) 3_756 . . 3_756 ?
C54 C53 C64 C62 48(15) 3_756 . . 3_756 ?
C71 C53 C64 C50 38(10) 3_756 . . . ?
C54 C53 C64 C50 99(4) 3_756 . . . ?
C71 C53 C64 C49 91(9) 3_756 . . . ?
C54 C53 C64 C49 152(5) 3_756 . . . ?
C71 C53 C64 C62 79(9) 3_756 . . . ?
C54 C53 C64 C62 140(4) 3_756 . . . ?
C71 C53 C64 C66 -17(9) 3_756 . . . ?
C54 C53 C64 C66 43(4) 3_756 . . . ?
C44 C49 C64 C65 -126(6) . . . 3_756 ?
C64 C49 C64 C65 -69(4) 3_756 . . 3_756 ?
C44 C49 C64 C52 -59(8) . . . 3_756 ?
C64 C49 C64 C52 -2(6) 3_756 . . 3_756 ?
C44 C49 C64 C70 133(6) . . . 3_756 ?
C64 C49 C64 C70 -171(5) 3_756 . . 3_756 ?
C44 C49 C64 C68 122(6) . . . 3_756 ?
C64 C49 C64 C68 178(7) 3_756 . . 3_756 ?
C44 C49 C64 C54 -142(6) . . . 3_756 ?
C64 C49 C64 C54 -86(7) 3_756 . . 3_756 ?
C44 C49 C64 C50 -25(4) . . . 3_756 ?
C64 C49 C64 C50 32(2) 3_756 . . 3_756 ?
C44 C49 C64 C62 -52(6) . . . 3_756 ?
C64 C49 C64 C62 4(4) 3_756 . . 3_756 ?
C44 C49 C64 C50 -85(5) . . . . ?
C64 C49 C64 C50 -29(3) 3_756 . . . ?
C44 C49 C64 C53 141(4) . . . . ?
C64 C49 C64 C53 -162(4) 3_756 . . . ?
C44 C49 C64 C62 -68(9) . . . . ?
C64 C49 C64 C62 -12(9) 3_756 . . . ?
C44 C49 C64 C66 -173(4) . . . . ?
C64 C49 C64 C66 -116(3) 3_756 . . . ?
C62 C62 C64 C65 -81(5) 3_756 . . 3_756 ?
C64 C62 C64 C65 -81(5) 3_756 . . 3_756 ?
C65 C62 C64 C65 -121(5) . . . 3_756 ?
C70 C62 C64 C65 98(5) 3_756 . . 3_756 ?
C62 C62 C64 C52 -10(6) 3_756 . . 3_756 ?
C64 C62 C64 C52 -10(6) 3_756 . . 3_756 ?
C65 C62 C64 C52 71(6) 3_756 . . 3_756 ?
C65 C62 C64 C52 -50(6) . . . 3_756 ?
C70 C62 C64 C52 169(6) 3_756 . . 3_756 ?
C62 C62 C64 C70 -179(6) 3_756 . . 3_756 ?
C64 C62 C64 C70 -179(6) 3_756 . . 3_756 ?
C65 C62 C64 C70 -98(5) 3_756 . . 3_756 ?
C65 C62 C64 C70 141(4) . . . 3_756 ?
C62 C62 C64 C68 -177(14) 3_756 . . 3_756 ?
C64 C62 C64 C68 -177(14) 3_756 . . 3_756 ?
C65 C62 C64 C68 -96(14) 3_756 . . 3_756 ?
C65 C62 C64 C68 143(14) . . . 3_756 ?
C70 C62 C64 C68 2(14) 3_756 . . 3_756 ?
C62 C62 C64 C54 -65(7) 3_756 . . 3_756 ?
C64 C62 C64 C54 -65(7) 3_756 . . 3_756 ?
C65 C62 C64 C54 16(8) 3_756 . . 3_756 ?
C65 C62 C64 C54 -105(6) . . . 3_756 ?
C70 C62 C64 C54 114(7) 3_756 . . 3_756 ?
C62 C62 C64 C50 40(4) 3_756 . . 3_756 ?
C64 C62 C64 C50 40(4) 3_756 . . 3_756 ?
C65 C62 C64 C50 121(7) 3_756 . . 3_756 ?
C65 C62 C64 C50 0(4) . . . 3_756 ?
C70 C62 C64 C50 -141(7) 3_756 . . 3_756 ?
C64 C62 C64 C62 0.000(4) 3_756 . . 3_756 ?
C65 C62 C64 C62 81(5) 3_756 . . 3_756 ?
C65 C62 C64 C62 -40(3) . . . 3_756 ?
C70 C62 C64 C62 179(6) 3_756 . . 3_756 ?
C62 C62 C64 C50 -43(4) 3_756 . . . ?
C64 C62 C64 C50 -43(4) 3_756 . . . ?
C65 C62 C64 C50 38(5) 3_756 . . . ?
C65 C62 C64 C50 -83(5) . . . . ?
C70 C62 C64 C50 136(7) 3_756 . . . ?
C62 C62 C64 C53 -164(5) 3_756 . . . ?
C64 C62 C64 C53 -164(5) 3_756 . . . ?
C65 C62 C64 C53 -83(6) 3_756 . . . ?
C65 C62 C64 C53 156(4) . . . . ?
C70 C62 C64 C53 15(5) 3_756 . . . ?
C62 C62 C64 C49 161(15) 3_756 . . . ?
C64 C62 C64 C49 161(15) 3_756 . . . ?
C65 C62 C64 C49 -118(14) 3_756 . . . ?
C65 C62 C64 C49 121(13) . . . . ?
C70 C62 C64 C49 -20(11) 3_756 . . . ?
C62 C62 C64 C66 -113(5) 3_756 . . . ?
C64 C62 C64 C66 -113(5) 3_756 . . . ?
C65 C62 C64 C66 -32(6) 3_756 . . . ?
C65 C62 C64 C66 -153(4) . . . . ?
C70 C62 C64 C66 66(4) 3_756 . . . ?
C62 C62 C65 C67 177(7) 3_756 . . 3_756 ?
C64 C62 C65 C67 96(7) 3_756 . . 3_756 ?
C65 C62 C65 C67 177(7) 3_756 . . 3_756 ?
C64 C62 C65 C67 -143(5) . . . 3_756 ?
C70 C62 C65 C67 -114(6) 3_756 . . 3_756 ?
C62 C62 C65 C64 81(5) 3_756 . . 3_756 ?
C65 C62 C65 C64 81(5) 3_756 . . 3_756 ?
C64 C62 C65 C64 121(5) . . . 3_756 ?
C70 C62 C65 C64 150(6) 3_756 . . 3_756 ?
C64 C62 C65 C62 -81(5) 3_756 . . 3_756 ?
C65 C62 C65 C62 -0.003(7) 3_756 . . 3_756 ?
C64 C62 C65 C62 40(3) . . . 3_756 ?
C70 C62 C65 C62 69(3) 3_756 . . 3_756 ?
C62 C62 C65 C70 58(5) 3_756 . . . ?
C64 C62 C65 C70 -23(3) 3_756 . . . ?
C65 C62 C65 C70 58(5) 3_756 . . . ?
C64 C62 C65 C70 97(4) . . . . ?
C70 C62 C65 C70 126(5) 3_756 . . . ?
C65 C64 C66 C68 161(7) 3_756 . . 3_756 ?
C52 C64 C66 C68 91(4) 3_756 . . 3_756 ?
C70 C64 C66 C68 -87(5) 3_756 . . 3_756 ?
C54 C64 C66 C68 59(4) 3_756 . . 3_756 ?
C50 C64 C66 C68 163(8) 3_756 . . 3_756 ?
C62 C64 C66 C68 130(5) 3_756 . . 3_756 ?
C50 C64 C66 C68 166(5) . . . 3_756 ?
C53 C64 C66 C68 -52(4) . . . 3_756 ?
C49 C64 C66 C68 -141(5) . . . 3_756 ?
C62 C64 C66 C68 -163(5) . . . 3_756 ?
C65 C64 C66 C72 -146(7) 3_756 . . . ?
C52 C64 C66 C72 144(5) 3_756 . . . ?
C70 C64 C66 C72 -34(5) 3_756 . . . ?
C68 C64 C66 C72 53(4) 3_756 . . . ?
C54 C64 C66 C72 111(5) 3_756 . . . ?
C50 C64 C66 C72 -144(7) 3_756 . . . ?
C62 C64 C66 C72 -178(4) 3_756 . . . ?
C50 C64 C66 C72 -142(4) . . . . ?
C53 C64 C66 C72 1(4) . . . . ?
C49 C64 C66 C72 -89(5) . . . . ?
C62 C64 C66 C72 -110(4) . . . . ?
C65 C64 C66 C52 70(6) 3_756 . . 3_756 ?
C70 C64 C66 C52 -178(6) 3_756 . . 3_756 ?
C68 C64 C66 C52 -91(4) 3_756 . . 3_756 ?
C54 C64 C66 C52 -33(4) 3_756 . . 3_756 ?
C50 C64 C66 C52 72(8) 3_756 . . 3_756 ?
C62 C64 C66 C52 38(3) 3_756 . . 3_756 ?
C50 C64 C66 C52 74(4) . . . 3_756 ?
C53 C64 C66 C52 -143(5) . . . 3_756 ?
C49 C64 C66 C52 128(6) . . . 3_756 ?
C62 C64 C66 C52 106(5) . . . 3_756 ?
C52 C64 C67 C65 -103(9) 3_756 . . 3_756 ?
C70 C64 C67 C65 83(7) 3_756 . . 3_756 ?
C68 C64 C67 C65 155(8) 3_756 . . 3_756 ?
C54 C64 C67 C65 -178(10) 3_756 . . 3_756 ?
C50 C64 C67 C65 -49(9) 3_756 . . 3_756 ?
C62 C64 C67 C65 -63(7) 3_756 . . 3_756 ?
C50 C64 C67 C65 -26(7) . . . 3_756 ?
C53 C64 C67 C65 114(7) . . . 3_756 ?
C49 C64 C67 C65 9(8) . . . 3_756 ?
C62 C64 C67 C65 -9(9) . . . 3_756 ?
C66 C64 C67 C65 107(8) . . . 3_756 ?
C50 C52 C68 C64 -24(4) . . . 3_756 ?
C50 C52 C68 C64 21(3) 3_756 . . 3_756 ?
C66 C52 C68 C64 81(5) 3_756 . . 3_756 ?
C64 C52 C68 C66 -81(5) 3_756 . . 3_756 ?
C50 C52 C68 C66 -105(5) . . . 3_756 ?
C50 C52 C68 C66 -60(5) 3_756 . . 3_756 ?
C64 C52 C68 C72 -70(6) 3_756 . . 3_756 ?
C50 C52 C68 C72 -94(6) . . . 3_756 ?
C50 C52 C68 C72 -49(7) 3_756 . . 3_756 ?
C66 C52 C68 C72 11(4) 3_756 . . 3_756 ?
C67 C65 C70 C64 -89(8) 3_756 . . 3_756 ?
C62 C65 C70 C64 81(5) 3_756 . . 3_756 ?
C62 C65 C70 C64 33(4) . . . 3_756 ?
C67 C65 C70 C73 -3(8) 3_756 . . . ?
C64 C65 C70 C73 86(5) 3_756 . . . ?
C62 C65 C70 C73 167(5) 3_756 . . . ?
C62 C65 C70 C73 119(4) . . . . ?
C67 C65 C70 C62 -170(10) 3_756 . . 3_756 ?
C64 C65 C70 C62 -81(5) 3_756 . . 3_756 ?
C62 C65 C70 C62 -48(3) . . . 3_756 ?
C64 C66 C72 C68 -34(3) . . . 3_756 ?
C52 C66 C72 C68 -9(3) 3_756 . . 3_756 ?
C64 C54 C71 C53 55(8) 3_756 . . 3_756 ?
C44 C54 C71 C53 123(9) . . . 3_756 ?
C44 C54 C71 C64 68(3) . . . 3_756 ?
C53 C54 C71 C64 -55(8) 3_756 . . 3_756 ?
C65 C70 C73 C64 -42(3) . . . 3_756 ?
C62 C70 C73 C64 -12(9) 3_756 . . 3_756 ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.307
_refine_diff_density_min         -0.364
_refine_diff_density_rms         0.061
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
