#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:18:44 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179809 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/05/7010544.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_7010544
loop_
_publ_author_name
'Bellabarba, Ronan M.'
'Nieuwenhuyzen, Mark'
'Saunders, Graham C.'
_publ_section_title
;
 Intramolecular SNAr reactions as a route to complexes of hybrid
 cyclopentadienyl--phosphine ligands: synthesis of a rhodium complex of
 the first η5,η1,η1-cyclopentadienyl--phosphine--thioether ligand
;
_journal_issue                   5
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              512
_journal_paper_doi               10.1039/b010244j
_journal_year                    2001
_chemical_formula_sum            'C32 H24 B Cl10 F13 P Rh S'
_chemical_formula_weight         1186.76
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                93.233(2)
_cell_angle_beta                 102.5490(10)
_cell_angle_gamma                112.3060(10)
_cell_formula_units_Z            2
_cell_length_a                   11.6484(9)
_cell_length_b                   11.7516(10)
_cell_length_c                   17.7351(14)
_cell_measurement_temperature    153(2)
_cell_volume                     2166.3(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.807
_diffrn_measured_fraction_theta_max 0.807
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0521
_diffrn_reflns_av_sigmaI/netI    0.0836
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            14538
_diffrn_reflns_theta_full        28.66
_diffrn_reflns_theta_max         28.66
_diffrn_reflns_theta_min         1.19
_exptl_absorpt_coefficient_mu    1.179
_exptl_absorpt_correction_T_max  0.8070
_exptl_absorpt_correction_T_min  0.6015
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.819
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'thick plate'
_exptl_crystal_F_000             1168
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.728
_refine_diff_density_min         -0.674
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.935
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     574
_refine_ls_number_reflns         8998
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.935
_refine_ls_R_factor_all          0.0701
_refine_ls_R_factor_gt           0.0470
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0603P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1100
_refine_ls_wR_factor_ref         0.1204
_reflns_number_gt                6357
_reflns_number_total             8998
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b010244j.txt
_cod_data_source_block           rmb90m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not_measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7010544
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 -0.11069(3) 0.31164(3) -0.264622(18) 0.02170(10) Uani 1 1 d . . .
P1 P -0.22216(9) 0.13667(9) -0.22151(6) 0.0215(2) Uani 1 1 d . . .
Cl1 Cl -0.04188(10) 0.20456(10) -0.35050(6) 0.0340(2) Uani 1 1 d . . .
C1 C -0.2496(4) 0.3867(4) -0.2586(2) 0.0268(9) Uani 1 1 d . . .
C2 C -0.2531(4) 0.3618(4) -0.3388(2) 0.0300(9) Uani 1 1 d . . .
C3 C -0.1300(4) 0.4423(4) -0.3490(3) 0.0318(10) Uani 1 1 d . . .
C4 C -0.0511(4) 0.5115(4) -0.2765(3) 0.0295(9) Uani 1 1 d . . .
C5 C -0.1244(4) 0.4790(4) -0.2191(2) 0.0279(9) Uani 1 1 d . . .
C6 C -0.3594(4) 0.3394(4) -0.2217(3) 0.0351(10) Uani 1 1 d . . .
H6A H -0.4207 0.3759 -0.2442 0.042 Uiso 1 1 calc R . .
H6B H -0.3252 0.3747 -0.1655 0.042 Uiso 1 1 calc R . .
C7 C -0.3675(4) 0.2816(4) -0.4039(3) 0.0384(11) Uani 1 1 d . . .
H7A H -0.4334 0.2244 -0.3819 0.058 Uiso 1 1 calc R . .
H7B H -0.3415 0.2338 -0.4387 0.058 Uiso 1 1 calc R . .
H7C H -0.4024 0.3344 -0.4335 0.058 Uiso 1 1 calc R . .
C8 C -0.0956(5) 0.4496(5) -0.4260(3) 0.0448(12) Uani 1 1 d . . .
H8A H -0.1324 0.5010 -0.4558 0.067 Uiso 1 1 calc R . .
H8B H -0.1301 0.3657 -0.4557 0.067 Uiso 1 1 calc R . .
H8C H -0.0020 0.4869 -0.4168 0.067 Uiso 1 1 calc R . .
C9 C 0.0835(4) 0.6086(4) -0.2602(3) 0.0392(11) Uani 1 1 d . . .
H9A H 0.1253 0.5908 -0.2990 0.059 Uiso 1 1 calc R . .
H9B H 0.1318 0.6077 -0.2078 0.059 Uiso 1 1 calc R . .
H9C H 0.0812 0.6908 -0.2632 0.059 Uiso 1 1 calc R . .
C10 C -0.0808(4) 0.5396(4) -0.1361(3) 0.0393(11) Uani 1 1 d . . .
H10A H 0.0126 0.5681 -0.1178 0.059 Uiso 1 1 calc R . .
H10B H -0.1220 0.4796 -0.1040 0.059 Uiso 1 1 calc R . .
H10C H -0.1044 0.6109 -0.1320 0.059 Uiso 1 1 calc R . .
C1A C -0.1401(4) 0.1472(4) -0.1201(2) 0.0254(9) Uani 1 1 d . . .
C2A C -0.1940(4) 0.0677(4) -0.0698(2) 0.0329(10) Uani 1 1 d . . .
H2A H -0.2806 0.0087 -0.0860 0.039 Uiso 1 1 calc R . .
C3A C -0.1184(5) 0.0767(5) 0.0042(3) 0.0415(12) Uani 1 1 d . . .
H3A H -0.1545 0.0227 0.0386 0.050 Uiso 1 1 calc R . .
C4A C 0.0056(5) 0.1602(4) 0.0291(3) 0.0404(11) Uani 1 1 d . . .
H4A H 0.0551 0.1632 0.0799 0.048 Uiso 1 1 calc R . .
C5A C 0.0603(4) 0.2415(4) -0.0197(2) 0.0365(11) Uani 1 1 d . . .
H5A H 0.1466 0.3010 -0.0024 0.044 Uiso 1 1 calc R . .
C6A C -0.0135(4) 0.2338(4) -0.0941(2) 0.0267(9) Uani 1 1 d . . .
S7A S 0.05895(9) 0.34010(10) -0.15554(6) 0.0301(2) Uani 1 1 d . . .
C8A C 0.1745(4) 0.2837(5) -0.1758(3) 0.0498(14) Uani 1 1 d . . .
H8A1 H 0.2324 0.2840 -0.1265 0.075 Uiso 1 1 calc R . .
H8A2 H 0.2245 0.3378 -0.2075 0.075 Uiso 1 1 calc R . .
H8A3 H 0.1297 0.1987 -0.2045 0.075 Uiso 1 1 calc R . .
C11 C -0.2279(3) -0.0050(3) -0.2731(2) 0.0213(8) Uani 1 1 d . . .
F12 F -0.0543(2) -0.0169(2) -0.17854(14) 0.0389(6) Uani 1 1 d . . .
C12 C -0.1436(4) -0.0616(4) -0.2474(2) 0.0264(9) Uani 1 1 d . . .
F13 F -0.0673(3) -0.2171(3) -0.26145(16) 0.0464(7) Uani 1 1 d . . .
C13 C -0.1468(4) -0.1637(4) -0.2904(3) 0.0305(9) Uani 1 1 d . . .
F14 F -0.2335(2) -0.3106(2) -0.40455(16) 0.0478(7) Uani 1 1 d . . .
C14 C -0.2308(4) -0.2113(4) -0.3622(3) 0.0310(10) Uani 1 1 d . . .
F15 F -0.3942(2) -0.2003(2) -0.46303(14) 0.0429(6) Uani 1 1 d . . .
C15 C -0.3126(4) -0.1554(4) -0.3921(2) 0.0310(10) Uani 1 1 d . . .
F16 F -0.3902(2) -0.0019(2) -0.37809(13) 0.0353(6) Uani 1 1 d . . .
C16 C -0.3095(4) -0.0555(4) -0.3475(2) 0.0271(9) Uani 1 1 d . . .
C21 C -0.3883(3) 0.1061(4) -0.2226(2) 0.0252(9) Uani 1 1 d . . .
C22 C -0.4371(4) 0.2005(4) -0.2268(2) 0.0291(9) Uani 1 1 d . . .
F23 F -0.6138(2) 0.2548(3) -0.23218(18) 0.0503(7) Uani 1 1 d . . .
C23 C -0.5648(4) 0.1674(4) -0.2276(3) 0.0361(10) Uani 1 1 d . . .
C24 C -0.6456(4) 0.0479(5) -0.2230(3) 0.0399(11) Uani 1 1 d . . .
F24 F -0.7672(2) 0.0230(3) -0.2222(2) 0.0592(8) Uani 1 1 d . . .
F25 F -0.6741(2) -0.1574(2) -0.21201(17) 0.0513(7) Uani 1 1 d . . .
C25 C -0.5990(4) -0.0414(4) -0.2176(3) 0.0381(11) Uani 1 1 d . . .
F26 F -0.4334(2) -0.1057(2) -0.21158(15) 0.0390(6) Uani 1 1 d . . .
C26 C -0.4723(4) -0.0121(4) -0.2177(2) 0.0295(9) Uani 1 1 d . . .
C1S C 0.3805(4) 0.5478(4) -0.3531(3) 0.0372(11) Uani 1 1 d . . .
H1S H 0.4357 0.5658 -0.2984 0.045 Uiso 1 1 calc R . .
Cl11 Cl 0.45826(16) 0.50703(15) -0.41703(10) 0.0727(5) Uani 1 1 d . . .
Cl12 Cl 0.23235(12) 0.42334(12) -0.35930(8) 0.0493(3) Uani 1 1 d . . .
Cl13 Cl 0.35510(12) 0.68174(12) -0.37584(7) 0.0459(3) Uani 1 1 d . . .
C2S C 0.1646(5) -0.0559(5) -0.4559(3) 0.0443(12) Uani 1 1 d . . .
H2S H 0.1268 -0.0747 -0.5138 0.053 Uiso 1 1 calc R . .
Cl21 Cl 0.16522(17) 0.08688(16) -0.42187(10) 0.0755(5) Uani 1 1 d . . .
Cl22 Cl 0.07230(16) -0.17578(17) -0.41398(11) 0.0800(5) Uani 1 1 d . . .
Cl23 Cl 0.32298(12) -0.04646(13) -0.43692(8) 0.0527(3) Uani 1 1 d . . .
C3S C -0.5604(5) -0.2691(5) -0.0290(3) 0.0540(14) Uani 1 1 d . . .
H3S H -0.5480 -0.2927 -0.0808 0.065 Uiso 1 1 calc R A 1
Cl31 Cl -0.6882(4) -0.2274(4) -0.0347(2) 0.0764(11) Uani 0.567(5) 1 d P B 2
Cl32 Cl -0.4149(3) -0.1576(4) 0.0183(2) 0.0971(16) Uani 0.567(5) 1 d P B 2
Cl33 Cl -0.5898(5) -0.4058(3) 0.0131(2) 0.0828(14) Uani 0.567(5) 1 d P B 2
Cl3' Cl -0.7225(4) -0.3280(8) -0.0292(3) 0.117(2) Uani 0.433(5) 1 d P B 1
Cl3" Cl -0.4835(6) -0.3269(6) 0.0463(2) 0.094(2) Uani 0.433(5) 1 d P B 1
Cl3 Cl -0.4990(7) -0.1043(4) -0.0021(3) 0.106(2) Uani 0.433(5) 1 d P . 1
B1 B -0.3652(5) 0.6508(5) -0.1590(4) 0.0463(15) Uani 1 1 d . . .
F1 F -0.3278(3) 0.5812(3) -0.10701(17) 0.0545(8) Uani 1 1 d . B .
F2 F -0.3425(3) 0.6215(4) -0.2294(2) 0.0789(11) Uani 1 1 d . B .
F3 F -0.4956(3) 0.6200(4) -0.17169(18) 0.0715(10) Uani 1 1 d . B .
F4 F -0.2824(7) 0.7764(7) -0.1428(4) 0.0497(17) Uani 0.567(5) 1 d P B 2
F4' F -0.3224(10) 0.7652(9) -0.1065(7) 0.072(3) Uani 0.433(5) 1 d P B 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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_
_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 C5 39.09(15) . . ?
C1 Rh1 C2 38.65(15) . . ?
C5 Rh1 C2 64.71(16) . . ?
C1 Rh1 C4 64.48(15) . . ?
C5 Rh1 C4 38.50(15) . . ?
C2 Rh1 C4 63.65(15) . . ?
C1 Rh1 C3 63.66(15) . . ?
C5 Rh1 C3 63.02(16) . . ?
C2 Rh1 C3 38.16(15) . . ?
C4 Rh1 C3 36.56(15) . . ?
C1 Rh1 P1 92.21(11) . . ?
C5 Rh1 P1 115.73(11) . . ?
C2 Rh1 P1 105.93(11) . . ?
C4 Rh1 P1 153.96(11) . . ?
C3 Rh1 P1 143.35(11) . . ?
C1 Rh1 S7A 121.43(11) . . ?
C5 Rh1 S7A 90.70(11) . . ?
C2 Rh1 S7A 155.31(12) . . ?
C4 Rh1 S7A 96.10(11) . . ?
C3 Rh1 S7A 129.51(12) . . ?
P1 Rh1 S7A 86.10(4) . . ?
C1 Rh1 Cl1 143.74(11) . . ?
C5 Rh1 Cl1 150.89(11) . . ?
C2 Rh1 Cl1 105.79(12) . . ?
C4 Rh1 Cl1 112.40(11) . . ?
C3 Rh1 Cl1 92.14(12) . . ?
P1 Rh1 Cl1 93.19(4) . . ?
S7A Rh1 Cl1 94.71(4) . . ?
C1A P1 C21 105.94(17) . . ?
C1A P1 C11 106.06(18) . . ?
C21 P1 C11 105.53(18) . . ?
C1A P1 Rh1 107.60(13) . . ?
C21 P1 Rh1 117.17(13) . . ?
C11 P1 Rh1 113.76(12) . . ?
C2 C1 C5 108.2(4) . . ?
C2 C1 C6 127.2(4) . . ?
C5 C1 C6 124.2(4) . . ?
C2 C1 Rh1 72.1(2) . . ?
C5 C1 Rh1 71.4(2) . . ?
C6 C1 Rh1 128.0(3) . . ?
C1 C2 C3 107.2(4) . . ?
C1 C2 C7 127.2(4) . . ?
C3 C2 C7 125.1(4) . . ?
C1 C2 Rh1 69.3(2) . . ?
C3 C2 Rh1 73.5(2) . . ?
C7 C2 Rh1 129.0(3) . . ?
C4 C3 C2 109.1(4) . . ?
C4 C3 C8 126.6(4) . . ?
C2 C3 C8 124.4(4) . . ?
C4 C3 Rh1 70.9(2) . . ?
C2 C3 Rh1 68.3(2) . . ?
C8 C3 Rh1 127.4(3) . . ?
C3 C4 C5 108.0(4) . . ?
C3 C4 C9 127.2(4) . . ?
C5 C4 C9 124.7(4) . . ?
C3 C4 Rh1 72.6(2) . . ?
C5 C4 Rh1 68.5(2) . . ?
C9 C4 Rh1 127.2(3) . . ?
C1 C5 C4 107.5(4) . . ?
C1 C5 C10 126.7(4) . . ?
C4 C5 C10 125.5(4) . . ?
C1 C5 Rh1 69.5(2) . . ?
C4 C5 Rh1 73.0(2) . . ?
C10 C5 Rh1 127.1(3) . . ?
C1 C6 C22 121.3(4) . . ?
C6A C1A C2A 119.2(4) . . ?
C6A C1A P1 117.0(3) . . ?
C2A C1A P1 123.6(3) . . ?
C3A C2A C1A 118.7(4) . . ?
C4A C3A C2A 122.0(4) . . ?
C3A C4A C5A 120.2(4) . . ?
C6A C5A C4A 118.7(4) . . ?
C5A C6A C1A 121.2(4) . . ?
C5A C6A S7A 117.8(3) . . ?
C1A C6A S7A 120.9(3) . . ?
C6A S7A C8A 101.5(2) . . ?
C6A S7A Rh1 104.70(13) . . ?
C8A S7A Rh1 114.23(18) . . ?
C16 C11 C12 114.9(4) . . ?
C16 C11 P1 120.3(3) . . ?
C12 C11 P1 124.3(3) . . ?
F12 C12 C13 116.9(3) . . ?
F12 C12 C11 120.9(4) . . ?
C13 C12 C11 122.2(4) . . ?
F13 C13 C14 120.0(4) . . ?
F13 C13 C12 119.6(4) . . ?
C14 C13 C12 120.4(4) . . ?
F14 C14 C13 120.5(4) . . ?
F14 C14 C15 119.8(4) . . ?
C13 C14 C15 119.7(4) . . ?
F15 C15 C16 121.0(4) . . ?
F15 C15 C14 120.2(4) . . ?
C16 C15 C14 118.8(4) . . ?
F16 C16 C15 117.8(4) . . ?
F16 C16 C11 118.4(4) . . ?
C15 C16 C11 123.8(4) . . ?
C26 C21 C22 117.0(3) . . ?
C26 C21 P1 120.2(3) . . ?
C22 C21 P1 122.8(3) . . ?
C23 C22 C21 118.2(4) . . ?
C23 C22 C6 115.1(4) . . ?
C21 C22 C6 126.4(3) . . ?
F23 C23 C24 117.7(4) . . ?
F23 C23 C22 119.4(4) . . ?
C24 C23 C22 122.9(4) . . ?
F24 C24 C25 121.2(4) . . ?
F24 C24 C23 119.7(4) . . ?
C25 C24 C23 119.1(4) . . ?
F25 C25 C24 120.6(4) . . ?
F25 C25 C26 119.8(4) . . ?
C24 C25 C26 119.6(4) . . ?
F26 C26 C25 115.9(4) . . ?
F26 C26 C21 121.0(3) . . ?
C25 C26 C21 123.2(4) . . ?
Cl11 C1S Cl13 110.2(2) . . ?
Cl11 C1S Cl12 109.9(3) . . ?
Cl13 C1S Cl12 110.0(2) . . ?
Cl22 C2S Cl21 111.6(3) . . ?
Cl22 C2S Cl23 110.2(3) . . ?
Cl21 C2S Cl23 110.0(3) . . ?
Cl32 C3S Cl31 115.4(4) . . ?
Cl32 C3S Cl3' 142.6(4) . . ?
Cl31 C3S Cl3' 37.4(3) . . ?
Cl32 C3S Cl33 110.6(4) . . ?
Cl31 C3S Cl33 109.1(3) . . ?
Cl3' C3S Cl33 73.9(3) . . ?
Cl32 C3S Cl3" 70.0(3) . . ?
Cl31 C3S Cl3" 129.9(4) . . ?
Cl3' C3S Cl3" 106.6(4) . . ?
Cl33 C3S Cl3" 40.7(2) . . ?
Cl32 C3S Cl3# 45.6(3) . . ?
Cl31 C3S Cl3# 71.7(3) . . ?
Cl3' C3S Cl3# 106.8(4) . . ?
Cl33 C3S Cl3# 140.8(4) . . ?
Cl3" C3S Cl3# 107.4(4) . . ?
C3S Cl3# Cl3# 156.9(6) . 2_455 ?
F1 B1 F2 108.1(4) . . ?
F1 B1 F3 110.0(5) . . ?
F2 B1 F3 107.9(4) . . ?
F1 B1 F4 113.0(5) . . ?
F2 B1 F4 98.4(5) . . ?
F3 B1 F4 118.3(5) . . ?
F1 B1 F4' 98.8(6) . . ?
F2 B1 F4' 133.5(7) . . ?
F3 B1 F4' 97.0(6) . . ?
F4 B1 F4' 35.4(4) . . ?
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 2.134(4) . ?
Rh1 C5 2.158(4) . ?
Rh1 C2 2.171(4) . ?
Rh1 C4 2.219(4) . ?
Rh1 C3 2.241(4) . ?
Rh1 P1 2.2540(10) . ?
Rh1 S7A 2.3502(10) . ?
Rh1 Cl1 2.3719(11) . ?
P1 C1A 1.818(4) . ?
P1 C21 1.825(4) . ?
P1 C11 1.825(4) . ?
C1 C2 1.425(6) . ?
C1 C5 1.436(5) . ?
C1 C6 1.496(5) . ?
C2 C3 1.444(6) . ?
C2 C7 1.500(6) . ?
C3 C4 1.399(6) . ?
C3 C8 1.504(6) . ?
C4 C5 1.444(6) . ?
C4 C9 1.500(5) . ?
C5 C10 1.488(6) . ?
C6 C22 1.523(6) . ?
C1A C6A 1.391(5) . ?
C1A C2A 1.398(5) . ?
C2A C3A 1.385(6) . ?
C3A C4A 1.357(6) . ?
C4A C5A 1.393(6) . ?
C5A C6A 1.386(5) . ?
C6A S7A 1.793(4) . ?
S7A C8A 1.801(4) . ?
C11 C16 1.391(5) . ?
C11 C12 1.396(5) . ?
F12 C12 1.345(4) . ?
C12 C13 1.369(6) . ?
F13 C13 1.337(4) . ?
C13 C14 1.361(6) . ?
F14 C14 1.339(5) . ?
C14 C15 1.384(6) . ?
F15 C15 1.338(5) . ?
C15 C16 1.361(6) . ?
F16 C16 1.357(4) . ?
C21 C26 1.383(5) . ?
C21 C22 1.424(6) . ?
C22 C23 1.383(5) . ?
F23 C23 1.350(5) . ?
C23 C24 1.381(6) . ?
C24 F24 1.337(5) . ?
C24 C25 1.352(7) . ?
F25 C25 1.335(5) . ?
C25 C26 1.383(6) . ?
F26 C26 1.341(5) . ?
C1S Cl11 1.747(5) . ?
C1S Cl13 1.761(5) . ?
C1S Cl12 1.764(4) . ?
C2S Cl22 1.735(5) . ?
C2S Cl21 1.747(5) . ?
C2S Cl23 1.761(5) . ?
C3S Cl32 1.693(6) . ?
C3S Cl31 1.720(6) . ?
C3S Cl3' 1.746(7) . ?
C3S Cl33 1.757(6) . ?
C3S Cl3" 1.759(6) . ?
C3S Cl3# 1.785(7) . ?
Cl3# Cl3# 2.459(10) 2_455 ?
B1 F1 1.375(6) . ?
B1 F2 1.383(7) . ?
B1 F3 1.384(6) . ?
B1 F4 1.394(9) . ?
B1 F4' 1.440(11) . ?
