#  CIF produced by WinGX routine CIF_UPDATE
#  Created on 2004-09-30 at 10:01:23
#  Using CIFtbx version 2.6.2 16 Jun 1998
 
#  Dictionary name : cif_core.dic
#  Dictionary vers : 2.2
#  Request file    : c:\wingx\files\cifdoc.dat
#  CIF files read  : ph2cy data
 
#------------------ SECTION 1. GLOBAL INFORMATION ---------------------------#
 
data_global
 
#------------------ AUDIT DETAILS -------------------------------------------#
 
_audit_creation_date            2004-09-30
_audit_creation_method          'WinGX routine CIF_UPDATE'
_audit_conform_dict_name        cif_core.dic
_audit_conform_dict_version     2.2
_audit_conform_dict_location    ftp://ftp.iucr.org/pub/cif_core.dic
_audit_update_record            ?
 
#------------------ SUBMISSION DETAILS --------------------------------------#
 
# Name and address of author for correspondence
 
_publ_contact_author_name      'Muller, Alfred'
_publ_contact_author_address
;
Department of Chemistry
University of Johannesburg
P.O. Box 524
Auckland Park
Johannesburg
2006
South Africa
;
_publ_contact_author_email       mullera@uj.ac.za
_publ_contact_author_fax         '27-11 559 2819'
_publ_contact_author_phone       '27-11 5594 2359'
 
_publ_requested_journal          'South African Magazine for Science and Technology'
_publ_requested_coeditor_name    ?
_publ_contact_letter            # Include date of submission
;
Date of submission ?
 
Please consider this CIF submission for publication in
the South African Magazine for Science and Technology 
(Afrikaans: Suid Afrikaanse Tydskrif vir Wetenskap en Tegnologie).
A Muller
;
_publ_requested_category        FM
 
#------------------ PROCESSING SUMMARY (JOURNAL OFFICE ONLY) ----------------#
 
_journal_date_recd_electronic    ?
_journal_date_to_coeditor        ?
_journal_date_from_coeditor      ?
_journal_date_accepted           ?
_journal_date_printers_first     ?
_journal_date_printers_final     ?
_journal_date_proofs_out         ?
_journal_date_proofs_in          ?
_journal_coeditor_name           ?
_journal_coeditor_code           ?
_journal_coeditor_notes          ?
_journal_techeditor_code         ?
_journal_techeditor_notes        ?
_journal_coden_ASTM              ?
_journal_name_full               ?
_journal_year                    ?
_journal_volume                  ?
_journal_issue                   ?
_journal_page_first              ?
_journal_page_last               ?
_journal_suppl_publ_number       ?
_journal_suppl_publ_pages        ?
 
#------------------ TITLE AND AUTHOR LIST------------------------------------#
 
_publ_section_title
;
Chloro-carbonyl disorder determination in Vaska-type complexes
;
 
loop_
_publ_author_name
_publ_author_address

'Muller, Alfred'
;
Department of Chemistry
University of Johannesburg
P.O. Box 524
Auckland Park
Johannesburg
2006
South Africa
;
 
#------------------ TEXT ----------------------------------------------------#
 
_publ_section_abstract
;
 ?
;
 
_publ_section_comment
;
 ?
;
 
_publ_section_exptl_prep
;
 ?
;
 
_publ_section_exptl_refinement
;
 ?
;
 
_publ_section_references
;
 ?
;
_publ_section_figure_captions
;
?
;
_publ_section_acknowledgements
;
 ?
;
_publ_section_table_legends
;
?
;
 
#------------------  SECTION 2. COMPOUND(S) DETAILS -------------------------#
 
data_ph2cy
 
_audit_creation_date            2004-09-30T10:01:23-00:00
_audit_creation_method         'WinGX routine CIF_UPDATE'
 
#------------------ CHEMICAL INFORMATION ------------------------------------#
 
_chemical_formula_sum                   'C37 H42 Cl O P2 Rh'
_chemical_formula_weight                703.01
 
#------------------ UNIT CELL INFORMATION -----------------------------------#
 
_symmetry_cell_setting                  triclinic
_symmetry_space_group_name_H-M          P-1
loop_
    _symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
 
_cell_length_a                          9.469(13)
_cell_length_b                          10.129(19)
_cell_length_c                          10.826(13)
_cell_angle_alpha                       116.25(2)
_cell_angle_beta                        105.83(2)
_cell_angle_gamma                       92.66(3)
_cell_volume                            879(2)
_cell_formula_units_Z                   1
_cell_measurement_temperature           293(2)
_cell_measurement_reflns_used           948
_cell_measurement_theta_min             2.37
_cell_measurement_theta_max             21.48
 
#------------------ CRYSTAL INFORMATION -------------------------------------#
 
_exptl_crystal_description              rectangles
_exptl_crystal_colour                   yellow
_exptl_crystal_size_max                 0.4
_exptl_crystal_size_mid                 0.25
_exptl_crystal_size_min                 0.1
_exptl_crystal_density_diffrn           1.328
_exptl_crystal_density_method           'not measured'
_exptl_crystal_F_000                    364
_exptl_absorpt_coefficient_mu           0.68
_exptl_absorpt_correction_type          multi-scan
_exptl_absorpt_correction_T_min         0.7727
_exptl_absorpt_correction_T_max         0.9352
 
#------------------ DATA COLLECTION INFORMATION -----------------------------#
 
_diffrn_radiation_wavelength            0.71073
_diffrn_radiation_type                  MoK\a
_diffrn_measurement_device_type
;
        Bruker SMART CCD 1K
;
_diffrn_measurement_method              \w
_diffrn_ambient_temperature             293(2)
_diffrn_standards_number                0
_diffrn_standards_interval_count        0
_diffrn_standards_interval_time         0
_diffrn_standards_decay_%               0
_diffrn_reflns_number                   7511
_diffrn_reflns_av_R_equivalents         0.1829
_diffrn_reflns_limit_h_min              -12
_diffrn_reflns_limit_h_max              12
_diffrn_reflns_limit_k_min              -13
_diffrn_reflns_limit_k_max              12
_diffrn_reflns_limit_l_min              -14
_diffrn_reflns_limit_l_max              14
_diffrn_reflns_theta_min                2.22
_diffrn_reflns_theta_max                28
_diffrn_reflns_theta_full               28
_diffrn_measured_fraction_theta_max
                                        0.997
_diffrn_measured_fraction_theta_full
                                        0.997
_reflns_number_total                    4229
_reflns_number_gt                       3361
_reflns_threshold_expression            >2sigma(I)
 
#------------------ COMPUTER PROGRAMS USED ----------------------------------#
 
_computing_data_collection              'SMART-NT (Bruker, 1998)'
_computing_cell_refinement              'SAINT-Plus (Bruker, 1999)'
_computing_data_reduction               'SAINT-Plus and XPREP (Bruker, 1999)'
_computing_structure_solution           'SIR97 (Altomare et al., 1999)'
_computing_structure_refinement         'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics           'DIAMOND (Brandenburg & Berndt, 2001)'
_computing_publication_material         'WinGX (Farrugia, 1999)'
 
#------------------ REFINEMENT INFORMATION ----------------------------------#
 
_refine_ls_structure_factor_coef        Fsqd
_refine_ls_matrix_type                  full
_refine_ls_weighting_scheme             calc
_refine_ls_weighting_details
         'calc w=1/[\s^2^(Fo^2^)+(0.0400P)^2^+1.0514P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_hydrogen_treatment           mixed
_refine_ls_extinction_method            SHELXL
_refine_ls_extinction_expression
                                    Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_coef              0.015(3)
_refine_ls_number_reflns                4229
_refine_ls_number_parameters            315
_refine_ls_number_restraints            323
_refine_ls_R_factor_gt                  0.0505
_refine_ls_wR_factor_ref                0.1567
_refine_ls_goodness_of_fit_ref          1.149
_refine_ls_restrained_S_all             1.12
_refine_ls_shift/su_max                 0
_refine_diff_density_max                1.23
_refine_diff_density_min                -1.45
 
#------------------ ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS --------#
 
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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 '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'
Cl Cl 0.1484 0.1585 '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_
    _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_calc_flag
    _atom_site_refinement_flags
    _atom_site_disorder_group
    _atom_site_disorder_assembly
Rh Rh 0.5 0.5 0.5 0.03754(18) Uani 1 d SU . .
P P 0.30424(12) 0.47723(13) 0.30535(10) 0.0401(3) Uani 1 d D . .
Cl Cl 0.3378(4) 0.4034(5) 0.5855(4) 0.0602(9) Uani 0.5 d PU . .
C C 0.6224(17) 0.567(2) 0.4370(15) 0.053(3) Uani 0.5 d PU . .
O O 0.7060(17) 0.613(2) 0.3953(17) 0.085(4) Uani 0.5 d PU . .
C11 C 0.2668(6) 0.6676(6) 0.3446(5) 0.0582(12) Uani 1 d DU . A
C12 C 0.3298(9) 0.7517(8) 0.2952(8) 0.087(2) Uani 1 d DU . .
H12 H 0.3871 0.7103 0.2352 0.104 Uiso 1 calc R . A
C13 C 0.3082(11) 0.9008(9) 0.3348(10) 0.108(3) Uani 1 d DU . A
H13 H 0.3444 0.9537 0.2947 0.13 Uiso 1 calc R . .
C14 C 0.2346(10) 0.9665(8) 0.4313(8) 0.094(2) Uani 1 d DU . .
H14 H 0.2287 1.0672 0.4646 0.112 Uiso 1 calc R . A
C15 C 0.1697(10) 0.8840(8) 0.4787(8) 0.090(2) Uani 1 d DU . A
H15 H 0.109 0.9252 0.535 0.108 Uiso 1 calc R . .
C16 C 0.1930(8) 0.7355(7) 0.4436(6) 0.0734(16) Uani 1 d DU . .
H16 H 0.159 0.6848 0.4867 0.088 Uiso 1 calc R . A
C21A C 0.120(3) 0.352(3) 0.253(3) 0.055(6) Uani 0.457(17) d PDU 1 A
C22A C -0.014(3) 0.393(3) 0.222(3) 0.097(8) Uani 0.457(17) d PDU 1 A
H22A H -0.0176 0.4865 0.2257 0.116 Uiso 0.457(17) calc PR 1 A
C23A C -0.142(3) 0.299(4) 0.185(3) 0.123(10) Uani 0.457(17) d PDU 1 A
H23A H -0.2336 0.328 0.1666 0.148 Uiso 0.457(17) calc PR 1 A
C24A C -0.135(2) 0.158(3) 0.174(3) 0.098(7) Uani 0.457(17) d PDU 1 A
H24A H -0.2224 0.0893 0.1419 0.118 Uiso 0.457(17) calc PR 1 A
C25A C 0.000(3) 0.120(3) 0.209(4) 0.084(7) Uani 0.457(17) d PDU 1 A
H25A H 0.0065 0.0303 0.2119 0.101 Uiso 0.457(17) calc PR 1 A
C26A C 0.126(2) 0.214(3) 0.241(4) 0.065(6) Uani 0.457(17) d PDU 1 A
H26A H 0.2171 0.1835 0.2547 0.078 Uiso 0.457(17) calc PR 1 A
C31B C 0.345(2) 0.4016(16) 0.1361(16) 0.049(5) Uani 0.457(17) d PD 1 A
H31B H 0.4215 0.4801 0.1504 0.059 Uiso 0.457(17) calc PR 1 A
C32B C 0.2146(16) 0.382(2) 0.005(2) 0.054(4) Uani 0.457(17) d PDU 1 A
H32C H 0.1289 0.3157 -0.0071 0.064 Uiso 0.457(17) calc PR 1 A
H32B H 0.1869 0.4789 0.0252 0.064 Uiso 0.457(17) calc PR 1 A
C33B C 0.251(3) 0.320(4) -0.133(2) 0.095(8) Uani 0.457(17) d PDU 1 A
H33C H 0.1581 0.2895 -0.2132 0.114 Uiso 0.457(17) calc PR 1 A
H33B H 0.3122 0.4006 -0.1316 0.114 Uiso 0.457(17) calc PR 1 A
C34B C 0.326(3) 0.197(2) -0.1635(19) 0.077(5) Uani 0.457(17) d PDU 1 A
H34B H 0.3688 0.1879 -0.2381 0.092 Uiso 0.457(17) calc PR 1 A
H34C H 0.2517 0.1061 -0.205 0.092 Uiso 0.457(17) calc PR 1 A
C35B C 0.446(3) 0.200(3) -0.042(2) 0.064(5) Uani 0.457(17) d PDU 1 A
H35B H 0.5379 0.2579 -0.0292 0.077 Uiso 0.457(17) calc PR 1 A
H35C H 0.4613 0.0982 -0.0677 0.077 Uiso 0.457(17) calc PR 1 A
C36B C 0.418(4) 0.265(3) 0.103(2) 0.049(5) Uani 0.457(17) d PDU 1 A
H36B H 0.5128 0.2923 0.1803 0.059 Uiso 0.457(17) calc PR 1 A
H36C H 0.3546 0.1876 0.1045 0.059 Uiso 0.457(17) calc PR 1 A
C31A C 0.3329(18) 0.3892(19) 0.1255(14) 0.056(5) Uani 0.543(17) d PDU 2 A
C32A C 0.2591(17) 0.4194(19) 0.017(2) 0.066(4) Uani 0.543(17) d PDU 2 A
H32A H 0.1956 0.4881 0.033 0.08 Uiso 0.543(17) calc PR 2 A
C33A C 0.278(2) 0.349(3) -0.116(2) 0.078(4) Uani 0.543(17) d PDU 2 A
H33A H 0.2346 0.3752 -0.1881 0.094 Uiso 0.543(17) calc PR 2 A
C34A C 0.364(2) 0.238(2) -0.1419(19) 0.081(5) Uani 0.543(17) d PDU 2 A
H34A H 0.3669 0.1793 -0.2355 0.097 Uiso 0.543(17) calc PR 2 A
C35A C 0.443(2) 0.216(3) -0.031(2) 0.078(6) Uani 0.543(17) d PDU 2 A
H35A H 0.5105 0.1512 -0.0438 0.094 Uiso 0.543(17) calc PR 2 A
C36A C 0.423(3) 0.289(3) 0.101(2) 0.058(5) Uani 0.543(17) d PDU 2 A
H36A H 0.4726 0.2692 0.1755 0.07 Uiso 0.543(17) calc PR 2 A
C21B C 0.126(2) 0.371(2) 0.270(2) 0.038(4) Uani 0.543(17) d PD 2 A
H21B H 0.1106 0.4119 0.365 0.045 Uiso 0.543(17) calc PR 2 A
C22B C -0.010(2) 0.3924(19) 0.1720(18) 0.060(3) Uani 0.543(17) d PDU 2 A
H22B H -0.0147 0.4982 0.2126 0.071 Uiso 0.543(17) calc PR 2 A
H22C H 0.0001 0.3596 0.0766 0.071 Uiso 0.543(17) calc PR 2 A
C23B C -0.153(2) 0.307(3) 0.155(3) 0.082(5) Uani 0.543(17) d PDU 2 A
H23B H -0.1737 0.3557 0.2465 0.099 Uiso 0.543(17) calc PR 2 A
H23C H -0.2331 0.3125 0.0812 0.099 Uiso 0.543(17) calc PR 2 A
C24B C -0.1551(19) 0.151(2) 0.117(2) 0.083(5) Uani 0.543(17) d PDU 2 A
H24C H -0.1688 0.0954 0.0139 0.1 Uiso 0.543(17) calc PR 2 A
H24B H -0.2415 0.1138 0.1326 0.1 Uiso 0.543(17) calc PR 2 A
C25B C -0.021(2) 0.117(2) 0.197(4) 0.068(5) Uani 0.543(17) d PDU 2 A
H25C H -0.0216 0.0108 0.1437 0.081 Uiso 0.543(17) calc PR 2 A
H25B H -0.0292 0.1364 0.2911 0.081 Uiso 0.543(17) calc PR 2 A
C26B C 0.1269(18) 0.203(2) 0.223(3) 0.059(5) Uani 0.543(17) d PDU 2 A
H26C H 0.153 0.1585 0.1348 0.071 Uiso 0.543(17) calc PR 2 A
H26B H 0.2034 0.195 0.2987 0.071 Uiso 0.543(17) calc PR 2 A
 
loop_
    _atom_site_aniso_label
    _atom_site_aniso_U_11
    _atom_site_aniso_U_22
    _atom_site_aniso_U_33
    _atom_site_aniso_U_23
    _atom_site_aniso_U_13
    _atom_site_aniso_U_12
Rh 0.0379(3) 0.0435(3) 0.0324(2) 0.02182(19) 0.00715(17) 0.00344(18)
P 0.0385(5) 0.0488(6) 0.0346(5) 0.0238(5) 0.0074(4) 0.0062(5)
Cl 0.052(2) 0.088(3) 0.044(2) 0.0391(16) 0.0111(16) -0.004(2)
C 0.049(7) 0.083(10) 0.036(5) 0.037(5) 0.012(5) 0.013(6)
O 0.082(9) 0.123(9) 0.058(5) 0.051(5) 0.027(6) -0.010(7)
C11 0.055(3) 0.068(3) 0.054(2) 0.037(2) 0.009(2) 0.006(2)
C12 0.121(6) 0.070(4) 0.102(5) 0.058(4) 0.054(4) 0.023(4)
C13 0.153(8) 0.070(4) 0.123(6) 0.063(4) 0.046(5) 0.013(5)
C14 0.127(6) 0.058(4) 0.078(4) 0.034(3) 0.007(4) 0.011(4)
C15 0.119(6) 0.067(4) 0.082(4) 0.027(3) 0.039(4) 0.035(4)
C16 0.107(5) 0.053(3) 0.064(3) 0.027(3) 0.035(3) 0.012(3)
C21A 0.046(8) 0.070(12) 0.038(9) 0.020(9) 0.009(7) 0.004(8)
C22A 0.066(9) 0.077(10) 0.130(18) 0.050(12) 0.006(13) 0.020(7)
C23A 0.044(7) 0.103(14) 0.17(2) 0.032(16) 0.014(13) 0.022(9)
C24A 0.053(8) 0.106(11) 0.096(15) 0.039(12) -0.010(9) -0.035(8)
C25A 0.088(12) 0.087(14) 0.078(13) 0.049(12) 0.013(13) 0.001(9)
C26A 0.047(8) 0.086(13) 0.068(11) 0.041(10) 0.018(8) 0.032(8)
C31B 0.046(9) 0.024(6) 0.056(9) 0.018(6) -0.012(6) -0.005(5)
C32B 0.041(8) 0.074(10) 0.041(5) 0.030(6) 0.002(6) 0.009(7)
C33B 0.088(14) 0.139(17) 0.038(7) 0.031(9) 0.013(8) 0.015(12)
C34B 0.097(13) 0.072(10) 0.036(6) 0.005(6) 0.027(7) -0.021(8)
C35B 0.086(13) 0.040(7) 0.051(8) 0.003(6) 0.034(7) -0.005(7)
C36B 0.062(11) 0.052(9) 0.052(7) 0.032(7) 0.032(8) 0.030(8)
C31A 0.048(8) 0.100(12) 0.028(5) 0.031(6) 0.021(5) 0.015(7)
C32A 0.064(10) 0.094(10) 0.061(7) 0.054(8) 0.021(7) 0.015(7)
C33A 0.074(9) 0.114(11) 0.043(6) 0.047(7) 0.004(6) -0.016(7)
C34A 0.082(10) 0.099(13) 0.047(7) 0.022(8) 0.027(6) -0.016(8)
C35A 0.042(8) 0.098(14) 0.057(7) 0.009(8) 0.011(6) 0.008(8)
C36A 0.052(8) 0.069(11) 0.045(6) 0.027(6) 0.005(6) 0.005(6)
C21B 0.037(6) 0.027(5) 0.034(6) 0.011(4) -0.003(5) -0.004(4)
C22B 0.039(5) 0.067(7) 0.077(8) 0.048(6) 0.002(5) 0.004(4)
C23B 0.046(7) 0.094(9) 0.102(10) 0.059(9) -0.001(7) -0.006(7)
C24B 0.052(7) 0.079(8) 0.105(13) 0.048(9) 0.004(8) -0.010(6)
C25B 0.050(8) 0.053(8) 0.084(13) 0.029(8) 0.011(7) -0.019(5)
C26B 0.050(7) 0.042(7) 0.080(12) 0.032(7) 0.012(7) -0.010(6)
 
 
#------------------ MOLECULAR GEOMETRY --------------------------------------#
 
_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
Rh C 1.741(15) . ?
Rh C 1.741(15) 2_666 ?
Rh P 2.308(2) . ?
Rh P 2.308(2) 2_666 ?
Rh Cl 2.369(5) . ?
Rh Cl 2.369(5) 2_666 ?
P C31B 1.806(17) . ?
P C21B 1.807(16) . ?
P C31A 1.853(11) . ?
P C11 1.856(7) . ?
P C21A 1.89(2) . ?
Cl O 0.560(9) 2_666 ?
Cl C 0.631(13) 2_666 ?
C Cl 0.631(12) 2_666 ?
C O 1.183(15) . ?
O Cl 0.560(9) 2_666 ?
C11 C12 1.378(8) . ?
C11 C16 1.382(9) . ?
C12 C13 1.417(11) . ?
C12 H12 0.93 . ?
C13 C14 1.358(13) . ?
C13 H13 0.93 . ?
C14 C15 1.357(11) . ?
C14 H14 0.93 . ?
C15 C16 1.424(9) . ?
C15 H15 0.93 . ?
C16 H16 0.93 . ?
C21A C26A 1.35(3) . ?
C21A C22A 1.35(2) . ?
C22A C23A 1.36(2) . ?
C22A H22A 0.93 . ?
C23A C24A 1.38(3) . ?
C23A H23A 0.93 . ?
C24A C25A 1.36(2) . ?
C24A H24A 0.93 . ?
C25A C26A 1.35(2) . ?
C25A H25A 0.93 . ?
C26A H26A 0.93 . ?
C31B C36B 1.52(2) . ?
C31B C32B 1.531(19) . ?
C31B H31B 0.98 . ?
C32B C33B 1.49(2) . ?
C32B H32C 0.97 . ?
C32B H32B 0.97 . ?
C33B C34B 1.42(3) . ?
C33B H33C 0.97 . ?
C33B H33B 0.97 . ?
C34B C35B 1.47(2) . ?
C34B H34B 0.97 . ?
C34B H34C 0.97 . ?
C35B C36B 1.51(2) . ?
C35B H35B 0.97 . ?
C35B H35C 0.97 . ?
C36B H36B 0.97 . ?
C36B H36C 0.97 . ?
C31A C36A 1.34(3) . ?
C31A C32A 1.36(2) . ?
C32A C33A 1.36(2) . ?
C32A H32A 0.93 . ?
C33A C34A 1.39(3) . ?
C33A H33A 0.93 . ?
C34A C35A 1.35(2) . ?
C34A H34A 0.93 . ?
C35A C36A 1.35(2) . ?
C35A H35A 0.93 . ?
C36A H36A 0.93 . ?
C21B C22B 1.519(17) . ?
C21B C26B 1.55(2) . ?
C21B H21B 0.98 . ?
C22B C23B 1.491(18) . ?
C22B H22B 0.97 . ?
C22B H22C 0.97 . ?
C23B C24B 1.44(3) . ?
C23B H23B 0.97 . ?
C23B H23C 0.97 . ?
C24B C25B 1.477(19) . ?
C24B H24C 0.97 . ?
C24B H24B 0.97 . ?
C25B C26B 1.504(18) . ?
C25B H25C 0.97 . ?
C25B H25B 0.97 . ?
C26B H26C 0.97 . ?
C26B H26B 0.97 . ?
 
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
C Rh C 180.0(11) . 2_666 ?
C Rh P 88.8(4) . . ?
C Rh P 91.2(4) 2_666 . ?
C Rh P 91.2(4) . 2_666 ?
C Rh P 88.8(4) 2_666 2_666 ?
P Rh P 180 . 2_666 ?
C Rh Cl 178.3(5) . . ?
C Rh Cl 1.7(5) 2_666 . ?
P Rh Cl 92.22(14) . . ?
P Rh Cl 87.78(14) 2_666 . ?
C Rh Cl 1.7(5) . 2_666 ?
C Rh Cl 178.3(5) 2_666 2_666 ?
P Rh Cl 87.78(14) . 2_666 ?
P Rh Cl 92.22(14) 2_666 2_666 ?
Cl Rh Cl 180.0000(10) . 2_666 ?
C31B P C21B 107.3(9) . . ?
C31B P C31A 4.2(9) . . ?
C21B P C31A 103.0(8) . . ?
C31B P C11 106.5(5) . . ?
C21B P C11 104.0(7) . . ?
C31A P C11 108.2(6) . . ?
C31B P C21A 102.3(9) . . ?
C21B P C21A 5.3(14) . . ?
C31A P C21A 98.1(9) . . ?
C11 P C21A 107.6(10) . . ?
C31B P Rh 113.4(6) . . ?
C21B P Rh 116.7(6) . . ?
C31A P Rh 116.0(6) . . ?
C11 P Rh 108.10(15) . . ?
C21A P Rh 118.1(9) . . ?
O Cl C 166(2) 2_666 2_666 ?
O Cl Rh 171(2) 2_666 . ?
C Cl Rh 4.8(15) 2_666 . ?
Cl C O 6.4(11) 2_666 . ?
Cl C Rh 173(2) 2_666 . ?
O C Rh 180(2) . . ?
Cl O C 7.2(12) 2_666 . ?
C12 C11 C16 118.6(6) . . ?
C12 C11 P 121.6(5) . . ?
C16 C11 P 119.0(4) . . ?
C11 C12 C13 120.7(7) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 H12 119.6 . . ?
C14 C13 C12 120.1(7) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
C15 C14 C13 119.5(7) . . ?
C15 C14 H14 120.3 . . ?
C13 C14 H14 120.3 . . ?
C14 C15 C16 121.1(8) . . ?
C14 C15 H15 119.5 . . ?
C16 C15 H15 119.5 . . ?
C11 C16 C15 119.2(6) . . ?
C11 C16 H16 120.4 . . ?
C15 C16 H16 120.4 . . ?
C26A C21A C22A 119.8(12) . . ?
C26A C21A P 117.3(18) . . ?
C22A C21A P 123(2) . . ?
C21A C22A C23A 120.2(12) . . ?
C21A C22A H22A 119.9 . . ?
C23A C22A H22A 119.9 . . ?
C22A C23A C24A 119.4(12) . . ?
C22A C23A H23A 120.3 . . ?
C24A C23A H23A 120.3 . . ?
C25A C24A C23A 119.4(12) . . ?
C25A C24A H24A 120.3 . . ?
C23A C24A H24A 120.3 . . ?
C26A C25A C24A 119.9(11) . . ?
C26A C25A H25A 120.1 . . ?
C24A C25A H25A 120.1 . . ?
C25A C26A C21A 120.9(12) . . ?
C25A C26A H26A 119.5 . . ?
C21A C26A H26A 119.5 . . ?
C36B C31B C32B 112.8(11) . . ?
C36B C31B P 115.2(11) . . ?
C32B C31B P 114.0(13) . . ?
C36B C31B H31B 104.4 . . ?
C32B C31B H31B 104.4 . . ?
P C31B H31B 104.4 . . ?
C33B C32B C31B 113.0(11) . . ?
C33B C32B H32C 109 . . ?
C31B C32B H32C 109 . . ?
C33B C32B H32B 109 . . ?
C31B C32B H32B 109 . . ?
H32C C32B H32B 107.8 . . ?
C34B C33B C32B 117.1(13) . . ?
C34B C33B H33C 108 . . ?
C32B C33B H33C 108 . . ?
C34B C33B H33B 108 . . ?
C32B C33B H33B 108 . . ?
H33C C33B H33B 107.3 . . ?
C33B C34B C35B 117.7(11) . . ?
C33B C34B H34B 107.9 . . ?
C35B C34B H34B 107.9 . . ?
C33B C34B H34C 107.9 . . ?
C35B C34B H34C 107.9 . . ?
H34B C34B H34C 107.2 . . ?
C34B C35B C36B 115.5(11) . . ?
C34B C35B H35B 108.4 . . ?
C36B C35B H35B 108.4 . . ?
C34B C35B H35C 108.4 . . ?
C36B C35B H35C 108.4 . . ?
H35B C35B H35C 107.5 . . ?
C35B C36B C31B 114.3(12) . . ?
C35B C36B H36B 108.7 . . ?
C31B C36B H36B 108.7 . . ?
C35B C36B H36C 108.7 . . ?
C31B C36B H36C 108.7 . . ?
H36B C36B H36C 107.6 . . ?
C36A C31A C32A 119.6(10) . . ?
C36A C31A P 118.9(11) . . ?
C32A C31A P 121.3(12) . . ?
C33A C32A C31A 120.1(10) . . ?
C33A C32A H32A 119.9 . . ?
C31A C32A H32A 119.9 . . ?
C32A C33A C34A 118.9(10) . . ?
C32A C33A H33A 120.6 . . ?
C34A C33A H33A 120.6 . . ?
C35A C34A C33A 119.7(10) . . ?
C35A C34A H34A 120.1 . . ?
C33A C34A H34A 120.1 . . ?
C34A C35A C36A 119.2(10) . . ?
C34A C35A H35A 120.4 . . ?
C36A C35A H35A 120.4 . . ?
C31A C36A C35A 121.8(11) . . ?
C31A C36A H36A 119.1 . . ?
C35A C36A H36A 119.1 . . ?
C22B C21B C26B 111.7(11) . . ?
C22B C21B P 116.4(11) . . ?
C26B C21B P 113.3(12) . . ?
C22B C21B H21B 104.7 . . ?
C26B C21B H21B 104.7 . . ?
P C21B H21B 104.7 . . ?
C23B C22B C21B 112.3(9) . . ?
C23B C22B H22B 109.1 . . ?
C21B C22B H22B 109.1 . . ?
C23B C22B H22C 109.1 . . ?
C21B C22B H22C 109.1 . . ?
H22B C22B H22C 107.9 . . ?
C24B C23B C22B 115.8(12) . . ?
C24B C23B H23B 108.3 . . ?
C22B C23B H23B 108.3 . . ?
C24B C23B H23C 108.3 . . ?
C22B C23B H23C 108.3 . . ?
H23B C23B H23C 107.4 . . ?
C23B C24B C25B 116.1(11) . . ?
C23B C24B H24C 108.3 . . ?
C25B C24B H24C 108.3 . . ?
C23B C24B H24B 108.3 . . ?
C25B C24B H24B 108.3 . . ?
H24C C24B H24B 107.4 . . ?
C24B C25B C26B 115.9(11) . . ?
C24B C25B H25C 108.3 . . ?
C26B C25B H25C 108.3 . . ?
C24B C25B H25B 108.3 . . ?
C26B C25B H25B 108.3 . . ?
H25C C25B H25B 107.4 . . ?
C25B C26B C21B 112.8(11) . . ?
C25B C26B H26C 109 . . ?
C21B C26B H26C 109 . . ?
C25B C26B H26B 109 . . ?
C21B C26B H26B 109 . . ?
H26C C26B H26B 107.8 . . ?
 
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
C Rh P C11 -76.0(6) . . . . ?
C Rh P C21A 161.7(12) . . . . ?
C Rh P C31A 45.7(8) . . . . ?
C Rh P C21B 167.4(10) . . . . ?
C Rh P C31B 41.9(8) . . . . ?
Rh P C11 C12 94.4(5) . . . . ?
Rh P C11 C16 -75.6(5) . . . . ?
Rh P C21A C22A 135.2(16) . . . . ?
Rh P C21A C26A -48(2) . . . . ?
Rh P C21B C22B 163.5(12) . . . . ?
Rh P C21B C26B -65.1(16) . . . . ?
Rh P C31A C32A -154.2(10) . . . . ?
Rh P C31A C36A 28.8(17) . . . . ?
Rh P C31B C32B 178.6(10) . . . . ?
Rh P C31B C36B 45.8(19) . . . . ?