#------------------------------------------------------------------------------
#$Date: 2025-08-21 13:25:49 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301846 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/00/91/7009156.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7009156
loop_
_publ_author_name
'Bookham, Jonathan L.'
'Smithies, Darren M.'
'Pett, Mark Thornton'
_publ_section_title
;
 Dynamic coordinative exchange in rhodium(I) complexes of chiral
 diphosphines bearing pendant pyridyl donor groups
;
_journal_issue                   6
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              975
_journal_paper_doi               10.1039/a908984e
_journal_year                    2000
_chemical_formula_sum            'C45 H44 Cl2 F6 N2 P3 Rh'
_chemical_formula_weight         993.54
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.0150(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.0292(2)
_cell_length_b                   14.1653(3)
_cell_length_c                   28.2016(5)
_cell_measurement_reflns_used    24774
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.0
_cell_volume                     4324.82(14)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1996)'
_computing_data_collection       'COLLECT (Nonius, 1999)'
_computing_data_reduction        'DENZO-SMN (Otwinowski & Minor, 1996)'
_computing_molecular_graphics    'ORTEX (McArdle, 1995)'
_computing_publication_material  'local program'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Nonius KappaCCD area detector diffractometer'
_diffrn_measurement_method
;
   Detector set at 30mm from sample with different 2theta offsets 
   1 degree phi exposures for chi=0 degree settings
   1 degree omega exposures for chi=90 degree settings
;
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0515
_diffrn_reflns_av_sigmaI/netI    0.0374
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            30701
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.37
_exptl_absorpt_coefficient_mu    0.691
_exptl_absorpt_correction_T_max  0.8196
_exptl_absorpt_correction_T_min  0.6701
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 Using multiple and symmetry-related data measurements via the program SORTAV
 See R.H. Blessing, Acta Cryst (1995), A51, 33-38 
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.526
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2024
_exptl_crystal_size_max          0.63
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.038
_refine_diff_density_min         -0.957
_refine_diff_density_rms         0.084
_refine_ls_extinction_coef       0.0027(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     549
_refine_ls_number_reflns         8465
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0475
_refine_ls_R_factor_gt           0.0433
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0524P)²+8.0994P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1143
_refine_ls_wR_factor_ref         0.1178
_reflns_number_gt                7765
_reflns_number_total             8465
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            a908984e.txt
_cod_data_source_block           jlb33
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7009156
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.35645(2) 0.362766(15) 0.112742(8) 0.02285(11) Uani 1 1 d . . .
C1 C 0.4009(3) 0.5070(2) 0.10851(13) 0.0358(7) Uani 1 1 d . . .
H1 H 0.485(4) 0.515(3) 0.1137(13) 0.037(10) Uiso 1 1 d . . .
C2 C 0.3413(3) 0.4775(3) 0.06216(13) 0.0384(8) Uani 1 1 d . . .
H2 H 0.395(3) 0.472(2) 0.0424(13) 0.031(9) Uiso 1 1 d . . .
C3 C 0.2098(4) 0.5068(4) 0.04099(18) 0.0716(16) Uani 1 1 d . . .
H3A H 0.1986 0.5735 0.0498 0.086 Uiso 1 1 calc R . .
H3B H 0.1979 0.5036 0.0053 0.086 Uiso 1 1 calc R . .
C4 C 0.1135(3) 0.4498(3) 0.05663(15) 0.0491(9) Uani 1 1 d . . .
H4A H 0.0809 0.4046 0.0305 0.059 Uiso 1 1 calc R . .
H4B H 0.0448 0.4922 0.0606 0.059 Uiso 1 1 calc R . .
C5 C 0.1528(3) 0.3950(2) 0.10293(12) 0.0314(7) Uani 1 1 d . . .
H5 H 0.122(3) 0.332(3) 0.1029(12) 0.028(9) Uiso 1 1 d . . .
C6 C 0.2046(3) 0.4312(2) 0.14702(13) 0.0330(7) Uani 1 1 d . . .
H6 H 0.201(3) 0.398(3) 0.1739(14) 0.031(9) Uiso 1 1 d . . .
C7 C 0.2313(4) 0.5349(3) 0.15585(16) 0.0507(10) Uani 1 1 d . . .
H7A H 0.1608 0.5714 0.1377 0.061 Uiso 1 1 calc R . .
H7B H 0.2355 0.5478 0.1906 0.061 Uiso 1 1 calc R . .
C8 C 0.3452(4) 0.5706(3) 0.14235(19) 0.0577(12) Uani 1 1 d . . .
H8A H 0.4076 0.5804 0.1722 0.069 Uiso 1 1 calc R . .
H8B H 0.3275 0.6330 0.1267 0.069 Uiso 1 1 calc R . .
P1 P 0.42220(7) 0.27145(5) 0.18316(3) 0.02661(18) Uani 1 1 d D . .
C111 C 0.5586(3) 0.3071(2) 0.22694(10) 0.0312(7) Uani 1 1 d D . .
C112 C 0.5795(3) 0.4036(2) 0.23326(12) 0.0356(7) Uani 1 1 d D . .
H112 H 0.5228 0.4475 0.2158 0.043 Uiso 1 1 calc R . .
C113 C 0.6832(4) 0.4357(3) 0.26507(13) 0.0442(9) Uani 1 1 d D . .
H113 H 0.6966 0.5016 0.2698 0.053 Uiso 1 1 calc R . .
C114 C 0.7671(4) 0.3721(3) 0.28995(13) 0.0474(9) Uani 1 1 d D . .
H114 H 0.8383 0.3943 0.3115 0.057 Uiso 1 1 calc R . .
C115 C 0.7474(4) 0.2766(3) 0.28351(13) 0.0472(9) Uani 1 1 d D . .
H115 H 0.8054 0.2330 0.3005 0.057 Uiso 1 1 calc R . .
C116 C 0.6428(3) 0.2436(2) 0.25222(12) 0.0386(8) Uani 1 1 d D . .
H116 H 0.6291 0.1776 0.2482 0.046 Uiso 1 1 calc R . .
C121 C 0.3151(3) 0.2207(2) 0.21855(12) 0.0342(7) Uani 1 1 d D . .
C122 C 0.1939(3) 0.2042(3) 0.19529(13) 0.0400(8) Uani 1 1 d D . .
H122 H 0.1705 0.2162 0.1616 0.048 Uiso 1 1 calc R . .
C123 C 0.1066(4) 0.1705(3) 0.22065(16) 0.0504(10) Uani 1 1 d D . .
H123 H 0.0238 0.1603 0.2046 0.061 Uiso 1 1 calc R . .
C124 C 0.1411(5) 0.1518(3) 0.26933(17) 0.0581(11) Uani 1 1 d D . .
H124 H 0.0816 0.1294 0.2869 0.070 Uiso 1 1 calc R . .
C125 C 0.2616(5) 0.1656(3) 0.29269(15) 0.0563(11) Uani 1 1 d D . .
H125 H 0.2851 0.1514 0.3261 0.068 Uiso 1 1 calc R . .
C126 C 0.3492(4) 0.2004(3) 0.26741(13) 0.0442(9) Uani 1 1 d D . .
H126 H 0.4320 0.2102 0.2836 0.053 Uiso 1 1 calc R . .
C131 C 0.4753(3) 0.1675(2) 0.15181(11) 0.0277(6) Uani 1 1 d . . .
H131 H 0.5032 0.1158 0.1756 0.033 Uiso 1 1 calc R . .
C132 C 0.3627(3) 0.1366(2) 0.11615(11) 0.0275(7) Uani 1 1 d . . .
C134 C 0.1977(3) 0.1811(2) 0.05720(11) 0.0317(7) Uani 1 1 d . . .
H134 H 0.1545 0.2286 0.0369 0.038 Uiso 1 1 calc R . .
N133 N 0.2994(2) 0.20608(18) 0.08895(9) 0.0272(5) Uani 1 1 d . . .
C135 C 0.1524(3) 0.0902(3) 0.05242(12) 0.0373(7) Uani 1 1 d . . .
H135 H 0.0789 0.0762 0.0299 0.045 Uiso 1 1 calc R . .
C136 C 0.2160(3) 0.0195(3) 0.08103(13) 0.0400(8) Uani 1 1 d . . .
H136 H 0.1867 -0.0437 0.0787 0.048 Uiso 1 1 calc R . .
C137 C 0.3229(3) 0.0432(2) 0.11292(12) 0.0356(7) Uani 1 1 d . . .
H137 H 0.3690 -0.0039 0.1325 0.043 Uiso 1 1 calc R . .
P2 P 0.54025(7) 0.31462(5) 0.09466(3) 0.02420(17) Uani 1 1 d D . .
C211 C 0.6772(3) 0.3903(2) 0.10988(11) 0.0300(6) Uani 1 1 d D . .
C212 C 0.6837(3) 0.4680(2) 0.08003(13) 0.0371(7) Uani 1 1 d D . .
H212 H 0.6190 0.4790 0.0531 0.045 Uiso 1 1 calc R . .
C213 C 0.7834(3) 0.5292(3) 0.08922(15) 0.0433(8) Uani 1 1 d D . .
H213 H 0.7866 0.5822 0.0688 0.052 Uiso 1 1 calc R . .
C214 C 0.8779(3) 0.5132(3) 0.12802(15) 0.0461(9) Uani 1 1 d D . .
H214 H 0.9471 0.5544 0.1341 0.055 Uiso 1 1 calc R . .
C215 C 0.8717(3) 0.4370(3) 0.15797(15) 0.0461(9) Uani 1 1 d D . .
H215 H 0.9366 0.4262 0.1848 0.055 Uiso 1 1 calc R . .
C216 C 0.7714(3) 0.3759(3) 0.14922(13) 0.0377(8) Uani 1 1 d D . .
H216 H 0.7676 0.3241 0.1703 0.045 Uiso 1 1 calc R . .
C221 C 0.5404(3) 0.2869(2) 0.03127(11) 0.0278(6) Uani 1 1 d D . .
C222 C 0.6524(3) 0.2710(2) 0.01636(13) 0.0350(7) Uani 1 1 d D . .
H222 H 0.7281 0.2777 0.0387 0.042 Uiso 1 1 calc R . .
C223 C 0.6533(4) 0.2454(3) -0.03098(14) 0.0421(8) Uani 1 1 d D . .
H223 H 0.7296 0.2341 -0.0409 0.051 Uiso 1 1 calc R . .
C224 C 0.5441(4) 0.2362(3) -0.06380(13) 0.0447(9) Uani 1 1 d D . .
H224 H 0.5455 0.2182 -0.0961 0.054 Uiso 1 1 calc R . .
C225 C 0.4325(4) 0.2531(3) -0.04986(13) 0.0423(8) Uani 1 1 d D . .
H225 H 0.3573 0.2472 -0.0726 0.051 Uiso 1 1 calc R . .
C226 C 0.4306(3) 0.2791(2) -0.00219(11) 0.0328(7) Uani 1 1 d D . .
H226 H 0.3541 0.2914 0.0074 0.039 Uiso 1 1 calc R . .
C231 C 0.5849(3) 0.2027(2) 0.12959(11) 0.0271(6) Uani 1 1 d . . .
H231 H 0.6487 0.2228 0.1579 0.033 Uiso 1 1 calc R . .
C232 C 0.6497(3) 0.1310(2) 0.10361(12) 0.0337(7) Uani 1 1 d . . .
C234 C 0.8385(5) 0.0716(5) 0.0917(2) 0.0842(19) Uani 1 1 d . . .
H234 H 0.9263 0.0720 0.0990 0.101 Uiso 1 1 calc R . .
N233 N 0.7758(3) 0.1331(3) 0.11561(14) 0.0572(9) Uani 1 1 d . . .
C235 C 0.7806(7) 0.0102(5) 0.05820(19) 0.099(2) Uani 1 1 d . . .
H235 H 0.8268 -0.0321 0.0424 0.119 Uiso 1 1 calc R . .
C236 C 0.6546(6) 0.0097(3) 0.04738(17) 0.0788(18) Uani 1 1 d . . .
H236 H 0.6134 -0.0335 0.0240 0.095 Uiso 1 1 calc R . .
C237 C 0.5852(4) 0.0713(2) 0.06989(13) 0.0458(9) Uani 1 1 d . . .
H237 H 0.4975 0.0718 0.0622 0.055 Uiso 1 1 calc R . .
P3 P 0.00058(8) 0.77829(6) 0.08539(3) 0.0352(2) Uani 1 1 d . . .
F1 F -0.0016(2) 0.87750(18) 0.11239(11) 0.0680(8) Uani 1 1 d . . .
F2 F 0.14578(19) 0.77444(18) 0.10468(8) 0.0512(6) Uani 1 1 d . . .
F3 F -0.0233(3) 0.7288(2) 0.13339(10) 0.0812(9) Uani 1 1 d . . .
F4 F -0.1435(2) 0.7837(2) 0.06536(12) 0.0805(9) Uani 1 1 d . . .
F5 F 0.0014(3) 0.6795(2) 0.05968(11) 0.0747(8) Uani 1 1 d . . .
F6 F 0.0240(3) 0.8322(2) 0.03891(9) 0.0763(9) Uani 1 1 d . . .
C1S C 0.7895(4) 0.9100(4) 0.1833(2) 0.0735(14) Uani 1 1 d DU . .
H1SA H 0.8089 0.8420 0.1879 0.088 Uiso 1 1 calc R . .
H1SB H 0.7954 0.9267 0.1497 0.088 Uiso 1 1 calc R . .
Cl1S Cl 0.89658(19) 0.97481(17) 0.22280(6) 0.1147(7) Uani 1 1 d DU . .
Cl2S Cl 0.63857(15) 0.93006(13) 0.19168(9) 0.1215(8) Uani 1 1 d DU . .
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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 C2 38.66(15) . . ?
C1 Rh1 C5 91.92(13) . . ?
C2 Rh1 C5 79.41(13) . . ?
C1 Rh1 P2 92.91(10) . . ?
C2 Rh1 P2 92.13(9) . . ?
C5 Rh1 P2 159.55(9) . . ?
C1 Rh1 C6 79.12(13) . . ?
C2 Rh1 C6 89.42(13) . . ?
C5 Rh1 C6 34.84(12) . . ?
P2 Rh1 C6 165.10(9) . . ?
C1 Rh1 P1 122.68(11) . . ?
C2 Rh1 P1 160.75(11) . . ?
C5 Rh1 P1 110.61(9) . . ?
P2 Rh1 P1 83.19(3) . . ?
C6 Rh1 P1 90.49(9) . . ?
C1 Rh1 N133 160.63(12) . . ?
C2 Rh1 N133 122.55(12) . . ?
C5 Rh1 N133 87.18(11) . . ?
P2 Rh1 N133 81.73(6) . . ?
C6 Rh1 N133 109.79(11) . . ?
P1 Rh1 N133 75.38(6) . . ?
C2 C1 C8 125.7(4) . . ?
C2 C1 Rh1 72.1(2) . . ?
C8 C1 Rh1 114.3(2) . . ?
C1 C2 C3 121.6(4) . . ?
C1 C2 Rh1 69.25(18) . . ?
C3 C2 Rh1 114.6(3) . . ?
C4 C3 C2 115.0(3) . . ?
C3 C4 C5 116.0(3) . . ?
C6 C5 C4 126.6(3) . . ?
C6 C5 Rh1 74.37(18) . . ?
C4 C5 Rh1 108.9(2) . . ?
C5 C6 C7 123.4(3) . . ?
C5 C6 Rh1 70.79(17) . . ?
C7 C6 Rh1 110.2(2) . . ?
C8 C7 C6 116.2(3) . . ?
C7 C8 C1 115.2(3) . . ?
C111 P1 C121 105.89(15) . . ?
C111 P1 C131 104.22(14) . . ?
C121 P1 C131 103.97(14) . . ?
C111 P1 Rh1 119.83(10) . . ?
C121 P1 Rh1 123.08(12) . . ?
C131 P1 Rh1 96.16(10) . . ?
C116 C111 C112 119.5(3) . . ?
C116 C111 P1 123.5(3) . . ?
C112 C111 P1 116.9(3) . . ?
C113 C112 C111 120.0(3) . . ?
C114 C113 C112 120.2(3) . . ?
C115 C114 C113 120.0(4) . . ?
C114 C115 C116 120.2(4) . . ?
C111 C116 C115 120.0(3) . . ?
C126 C121 C122 119.1(3) . . ?
C126 C121 P1 122.8(3) . . ?
C122 C121 P1 118.1(2) . . ?
C123 C122 C121 120.9(4) . . ?
C124 C123 C122 119.5(4) . . ?
C123 C124 C125 120.4(4) . . ?
C124 C125 C126 120.2(4) . . ?
C121 C126 C125 119.9(4) . . ?
C132 C131 C231 115.6(2) . . ?
C132 C131 P1 104.6(2) . . ?
C231 C131 P1 106.1(2) . . ?
N133 C132 C137 122.1(3) . . ?
N133 C132 C131 115.9(3) . . ?
C137 C132 C131 122.0(3) . . ?
N133 C134 C135 123.6(3) . . ?
C134 N133 C132 117.4(3) . . ?
C134 N133 Rh1 125.4(2) . . ?
C132 N133 Rh1 116.07(19) . . ?
C134 C135 C136 118.9(3) . . ?
C137 C136 C135 118.4(3) . . ?
C136 C137 C132 119.6(3) . . ?
C221 P2 C211 101.51(14) . . ?
C221 P2 C231 106.35(13) . . ?
C211 P2 C231 104.38(14) . . ?
C221 P2 Rh1 116.62(10) . . ?
C211 P2 Rh1 119.92(10) . . ?
C231 P2 Rh1 106.79(10) . . ?
C216 C211 C212 118.8(3) . . ?
C216 C211 P2 124.1(3) . . ?
C212 C211 P2 117.0(3) . . ?
C213 C212 C211 120.8(3) . . ?
C214 C213 C212 119.9(4) . . ?
C213 C214 C215 119.8(3) . . ?
C214 C215 C216 120.6(4) . . ?
C211 C216 C215 120.1(3) . . ?
C226 C221 C222 119.3(3) . . ?
C226 C221 P2 121.1(2) . . ?
C222 C221 P2 119.6(2) . . ?
C223 C222 C221 120.1(3) . . ?
C224 C223 C222 120.4(3) . . ?
C223 C224 C225 120.3(3) . . ?
C224 C225 C226 119.8(3) . . ?
C221 C226 C225 120.2(3) . . ?
C232 C231 C131 117.3(3) . . ?
C232 C231 P2 114.4(2) . . ?
C131 C231 P2 109.7(2) . . ?
C237 C232 N233 123.8(3) . . ?
C237 C232 C231 121.5(3) . . ?
N233 C232 C231 114.7(3) . . ?
C235 C234 N233 122.6(5) . . ?
C234 N233 C232 116.7(4) . . ?
C234 C235 C236 119.0(4) . . ?
C235 C236 C237 121.4(5) . . ?
C232 C237 C236 116.6(4) . . ?
F5 P3 F6 91.76(18) . . ?
F5 P3 F4 88.42(17) . . ?
F6 P3 F4 89.57(17) . . ?
F5 P3 F3 90.98(18) . . ?
F6 P3 F3 177.26(19) . . ?
F4 P3 F3 90.41(18) . . ?
F5 P3 F2 91.90(15) . . ?
F6 P3 F2 89.25(14) . . ?
F4 P3 F2 178.78(18) . . ?
F3 P3 F2 90.76(16) . . ?
F5 P3 F1 178.74(18) . . ?
F6 P3 F1 89.45(18) . . ?
F4 P3 F1 91.25(16) . . ?
F3 P3 F1 87.81(17) . . ?
F2 P3 F1 88.46(13) . . ?
Cl1S C1S Cl2S 112.2(3) . . ?
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 2.110(3) . ?
Rh1 C2 2.147(3) . ?
Rh1 C5 2.257(3) . ?
Rh1 P2 2.2868(7) . ?
Rh1 C6 2.302(3) . ?
Rh1 P1 2.3649(8) . ?
Rh1 N133 2.369(3) . ?
C1 C2 1.410(5) . ?
C1 C8 1.525(5) . ?
C2 C3 1.518(5) . ?
C3 C4 1.467(6) . ?
C4 C5 1.510(5) . ?
C5 C6 1.365(5) . ?
C6 C7 1.510(5) . ?
C7 C8 1.470(5) . ?
P1 C111 1.826(3) . ?
P1 C121 1.832(3) . ?
P1 C131 1.869(3) . ?
C111 C116 1.388(5) . ?
C111 C112 1.392(5) . ?
C112 C113 1.388(5) . ?
C113 C114 1.382(6) . ?
C114 C115 1.377(6) . ?
C115 C116 1.392(5) . ?
C121 C126 1.387(5) . ?
C121 C122 1.393(5) . ?
C122 C123 1.389(5) . ?
C123 C124 1.378(6) . ?
C124 C125 1.380(7) . ?
C125 C126 1.396(5) . ?
C131 C132 1.506(4) . ?
C131 C231 1.547(4) . ?
C132 N133 1.356(4) . ?
C132 C137 1.391(4) . ?
C134 N133 1.342(4) . ?
C134 C135 1.378(5) . ?
C135 C136 1.390(5) . ?
C136 C137 1.381(5) . ?
P2 C221 1.831(3) . ?
P2 C211 1.834(3) . ?
P2 C231 1.881(3) . ?
C211 C216 1.383(5) . ?
C211 C212 1.396(5) . ?
C212 C213 1.386(5) . ?
C213 C214 1.378(6) . ?
C214 C215 1.380(6) . ?
C215 C216 1.389(5) . ?
C221 C226 1.390(4) . ?
C221 C222 1.397(4) . ?
C222 C223 1.385(5) . ?
C223 C224 1.378(6) . ?
C224 C225 1.383(5) . ?
C225 C226 1.397(5) . ?
C231 C232 1.511(4) . ?
C232 C237 1.366(5) . ?
C232 N233 1.368(5) . ?
C234 C235 1.353(9) . ?
C234 N233 1.367(6) . ?
C235 C236 1.365(9) . ?
C236 C237 1.390(7) . ?
P3 F5 1.576(3) . ?
P3 F6 1.580(3) . ?
P3 F4 1.583(3) . ?
P3 F3 1.590(3) . ?
P3 F2 1.591(2) . ?
P3 F1 1.601(3) . ?
C1S Cl1S 1.726(6) . ?
C1S Cl2S 1.749(5) . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168347423
