#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/48/4114866.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_4114866
loop_
_publ_author_name
'Helmut Werner'
'Ralf Wiedemann'
'Matthias Laubender'
'Bettina Windmüller'
'Paul Steinert'
'Olaf Gevert'
'Justin Wolf'
_publ_contact_author
;
        Prof. Dr. Helmut Werner
        Institut für Anorganische Chemie
        Universität Würzburg
        Am Hubland
        D-97074 Würzburg
        Deutschland
;
_publ_contact_author_email       helmut.werner@mail.uni-wuerzburg.de
_publ_contact_author_fax         '049 931 888 4605'
_publ_contact_author_phone       '049 931 888 5261'
_publ_section_title
;
 Unusual Pathways for Metal-Assisted C-C and C-P Coupling Reactions Using
 Allenylidenerhodium Complexes as Precursors
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6966
_journal_page_last               6980
_journal_paper_doi               10.1021/ja012479g
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'C33.5 H52 Cl4 P2 Rh'
_chemical_formula_weight         761.40
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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
_cell_angle_alpha                92.00(3)
_cell_angle_beta                 97.90(2)
_cell_angle_gamma                108.25(2)
_cell_formula_units_Z            2
_cell_length_a                   9.463(4)
_cell_length_b                   11.369(5)
_cell_length_c                   17.936(9)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      18
_cell_measurement_theta_min      8
_cell_volume                     1808.9(15)
_computing_cell_refinement       'CAD4 (Enraf-Nonius)'
_computing_data_collection       'CAD4 (Enraf-Nonius)'
_computing_data_reduction        'BEGIN (SDP)'
_computing_molecular_graphics    'ZORTEP (Zsolnai)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_wavelength     0.70930
_diffrn_reflns_av_R_equivalents  0.0188
_diffrn_reflns_av_sigmaI/netI    0.0322
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            5618
_diffrn_reflns_theta_max         23.93
_diffrn_reflns_theta_min         2.13
_exptl_absorpt_coefficient_mu    0.872
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.398
_exptl_crystal_description       block
_exptl_crystal_F_000             792
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.707
_refine_diff_density_min         -0.798
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.057
_refine_ls_goodness_of_fit_obs   1.068
_refine_ls_matrix_type           full
_refine_ls_number_parameters     376
_refine_ls_number_reflns         5225
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.059
_refine_ls_restrained_S_obs      1.071
_refine_ls_R_factor_all          0.0481
_refine_ls_R_factor_obs          0.0317
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0422P)²+1.8768P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0858
_refine_ls_wR_factor_obs         0.0791
_reflns_number_observed          4411
_reflns_number_total             5225
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ja012479g_2.cif
_cod_data_source_block           ml1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0422P)^2^+1.8768P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0422P)^2^+1.8768P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1808.8(14)
_cod_original_formula_sum        'C33.50 H52 Cl4 P2 Rh'
_cod_database_code               4114866
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
Rh Rh 0.14162(3) 0.58010(2) 0.211279(15) 0.02915(10) Uani 1 d .
P1 P -0.00835(11) 0.61877(8) 0.28945(5) 0.0346(2) Uani 1 d .
P2 P 0.16263(11) 0.31724(8) 0.13972(5) 0.0344(2) Uani 1 d .
Cl1 Cl 0.23313(12) 0.79620(8) 0.18652(6) 0.0483(3) Uani 1 d .
Cl2 Cl -0.05100(12) 0.54241(9) 0.10940(5) 0.0470(3) Uani 1 d .
Cl3 Cl 0.36948(11) 0.60764(9) 0.29051(5) 0.0430(2) Uani 1 d .
C1 C 0.1041(4) 0.3897(3) 0.2165(2) 0.0290(8) Uani 1 d .
C2 C 0.0673(4) 0.3196(3) 0.2710(2) 0.0304(8) Uani 1 d .
C3 C 0.0291(4) 0.2506(3) 0.3278(2) 0.0326(8) Uani 1 d .
C10 C -0.1561(4) 0.4808(4) 0.3115(2) 0.0444(10) Uani 1 d .
H10 H -0.1027(4) 0.4275(4) 0.3357(2) 0.053 Uiso 1 calc R
C11 C -0.0958(5) 0.7383(4) 0.2557(3) 0.0508(11) Uani 1 d .
H11 H -0.0225(5) 0.7957(4) 0.2293(3) 0.061 Uiso 1 calc R
C12 C 0.0980(5) 0.6855(4) 0.3838(2) 0.0463(10) Uani 1 d .
H12 H 0.0270(5) 0.7081(4) 0.4117(2) 0.056 Uiso 1 calc R
C13 C -0.2608(5) 0.4020(4) 0.2439(3) 0.0603(12) Uani 1 d .
H13A H -0.2026(5) 0.3872(25) 0.2069(8) 0.090 Uiso 1 calc R
H13B H -0.3273(25) 0.4449(14) 0.2222(11) 0.090 Uiso 1 calc R
H13C H -0.3191(26) 0.3242(13) 0.2596(4) 0.090 Uiso 1 calc R
C14 C -0.2488(6) 0.5094(5) 0.3698(3) 0.0678(14) Uani 1 d .
H14A H -0.3091(30) 0.5571(29) 0.3479(7) 0.102 Uiso 1 calc R
H14B H -0.1818(6) 0.5560(29) 0.4135(9) 0.102 Uiso 1 calc R
H14C H -0.3132(30) 0.4330(5) 0.3843(15) 0.102 Uiso 1 calc R
C15 C -0.2416(6) 0.6901(5) 0.1997(3) 0.076(2) Uani 1 d .
H15A H -0.2325(17) 0.6306(27) 0.1629(13) 0.114 Uiso 1 calc R
H15B H -0.2606(23) 0.7582(7) 0.1747(16) 0.114 Uiso 1 calc R
H15C H -0.3235(9) 0.6512(32) 0.2261(4) 0.114 Uiso 1 calc R
C16 C -0.1235(7) 0.8175(5) 0.3199(3) 0.083(2) Uani 1 d .
H16A H -0.0301(10) 0.8584(31) 0.3525(14) 0.125 Uiso 1 calc R
H16B H -0.1935(37) 0.7650(7) 0.3483(15) 0.125 Uiso 1 calc R
H16C H -0.1644(44) 0.8787(26) 0.2989(3) 0.125 Uiso 1 calc R
C17 C 0.1519(6) 0.5928(4) 0.4291(2) 0.0573(12) Uani 1 d .
H17A H 0.0673(7) 0.5215(13) 0.4336(15) 0.086 Uiso 1 calc R
H17B H 0.2006(31) 0.6310(10) 0.4785(6) 0.086 Uiso 1 calc R
H17C H 0.2220(27) 0.5675(22) 0.4038(9) 0.086 Uiso 1 calc R
C18 C 0.2276(5) 0.8061(4) 0.3811(2) 0.0581(12) Uani 1 d .
H18A H 0.1934(11) 0.8587(13) 0.3474(14) 0.087 Uiso 1 calc R
H18B H 0.3097(14) 0.7867(4) 0.3635(17) 0.087 Uiso 1 calc R
H18C H 0.2607(24) 0.8482(15) 0.4308(4) 0.087 Uiso 1 calc R
C20 C 0.2053(5) 0.1748(4) 0.1631(2) 0.0468(10) Uani 1 d .
H20 H 0.2479(5) 0.1521(4) 0.1201(2) 0.056 Uiso 1 calc R
C21 C 0.3420(5) 0.4278(4) 0.1223(2) 0.0443(10) Uani 1 d .
H21 H 0.4020(5) 0.4588(4) 0.1722(2) 0.053 Uiso 1 calc R
C22 C 0.0239(5) 0.2838(4) 0.0533(2) 0.0442(10) Uani 1 d .
H22 H 0.0324(5) 0.3638(4) 0.0324(2) 0.053 Uiso 1 calc R
C23 C 0.0729(6) 0.0614(4) 0.1708(3) 0.0615(13) Uani 1 d .
H23A H -0.0073(15) 0.0529(18) 0.1298(10) 0.092 Uiso 1 calc R
H23B H 0.0385(24) 0.0708(14) 0.2178(9) 0.092 Uiso 1 calc R
H23C H 0.1037(11) -0.0114(5) 0.1695(19) 0.092 Uiso 1 calc R
C24 C 0.3308(5) 0.1984(5) 0.2313(2) 0.0596(12) Uani 1 d .
H24A H 0.4102(17) 0.2735(16) 0.2268(9) 0.089 Uiso 1 calc R
H24B H 0.3699(25) 0.1299(14) 0.2330(11) 0.089 Uiso 1 calc R
H24C H 0.2907(10) 0.2063(30) 0.2769(3) 0.089 Uiso 1 calc R
C25 C 0.3220(5) 0.5416(4) 0.0854(2) 0.0569(12) Uani 1 d .
H25A H 0.2653(30) 0.5779(17) 0.1141(10) 0.085 Uiso 1 calc R
H25B H 0.2689(30) 0.5172(6) 0.0348(7) 0.085 Uiso 1 calc R
H25C H 0.4190(5) 0.6013(12) 0.0841(16) 0.085 Uiso 1 calc R
C26 C 0.4383(6) 0.3723(5) 0.0789(3) 0.0677(14) Uani 1 d .
H26A H 0.4528(34) 0.3021(20) 0.1032(12) 0.101 Uiso 1 calc R
H26B H 0.5343(16) 0.4339(11) 0.0783(17) 0.101 Uiso 1 calc R
H26C H 0.3879(19) 0.3461(30) 0.0280(6) 0.101 Uiso 1 calc R
C27 C 0.0598(7) 0.2028(4) -0.0072(2) 0.0692(15) Uani 1 d .
H27A H 0.1607(15) 0.2417(17) -0.0167(15) 0.104 Uiso 1 calc R
H27B H -0.0097(26) 0.1938(28) -0.0530(7) 0.104 Uiso 1 calc R
H27C H 0.0509(40) 0.1224(12) 0.0104(9) 0.104 Uiso 1 calc R
C28 C -0.1375(5) 0.2297(4) 0.0666(3) 0.0637(13) Uani 1 d .
H28A H -0.1553(12) 0.2793(19) 0.1064(13) 0.096 Uiso 1 calc R
H28B H -0.1551(12) 0.1462(12) 0.0807(19) 0.096 Uiso 1 calc R
H28C H -0.2045(5) 0.2292(29) 0.0212(6) 0.096 Uiso 1 calc R
C30 C -0.1324(4) 0.1774(3) 0.3282(2) 0.0366(9) Uani 1 d .
C31 C -0.2235(5) 0.1045(4) 0.2659(3) 0.0520(11) Uani 1 d .
H31 H -0.1845(5) 0.1015(4) 0.2213(3) 0.062 Uiso 1 calc R
C32 C -0.3707(5) 0.0361(4) 0.2684(3) 0.0669(14) Uani 1 d .
H32 H -0.4292(5) -0.0145(4) 0.2262(3) 0.080 Uiso 1 calc R
C33 C -0.4313(6) 0.0424(5) 0.3326(4) 0.078(2) Uani 1 d .
H33 H -0.5312(6) -0.0034(5) 0.3342(4) 0.093 Uiso 1 calc R
C44 C -0.3451(6) 0.1159(6) 0.3942(3) 0.075(2) Uani 1 d .
H44 H -0.3875(6) 0.1216(6) 0.4375(3) 0.090 Uiso 1 calc R
C35 C -0.1960(5) 0.1821(4) 0.3937(3) 0.0555(11) Uani 1 d .
H35 H -0.1376(5) 0.2298(4) 0.4368(3) 0.067 Uiso 1 calc R
C40 C 0.1453(4) 0.2429(3) 0.3911(2) 0.0335(8) Uani 1 d .
C41 C 0.2858(4) 0.3339(3) 0.4081(2) 0.0422(9) Uani 1 d .
H41 H 0.3088(4) 0.4023(3) 0.3797(2) 0.051 Uiso 1 calc R
C42 C 0.3916(5) 0.3241(4) 0.4665(2) 0.0519(11) Uani 1 d .
H42 H 0.4845(5) 0.3863(4) 0.4772(2) 0.062 Uiso 1 calc R
C43 C 0.3613(5) 0.2230(5) 0.5092(2) 0.0574(12) Uani 1 d .
H43 H 0.4322(5) 0.2177(5) 0.5492(2) 0.069 Uiso 1 calc R
C54 C 0.2252(5) 0.1307(4) 0.4917(2) 0.0567(12) Uani 1 d .
H54 H 0.2050(5) 0.0609(4) 0.5191(2) 0.068 Uiso 1 calc R
C45 C 0.1179(5) 0.1402(4) 0.4341(2) 0.0450(10) Uani 1 d .
H45 H 0.0256(5) 0.0771(4) 0.4237(2) 0.054 Uiso 1 calc R
Cl4 Cl 0.4389(6) 0.0758(5) -0.0116(3) 0.139(2) Uiso 0.50 d PD
Cl5 Cl 0.4200(6) 0.0996(5) -0.0556(3) 0.150(2) Uiso 0.50 d PD
C90 C 0.5262(14) 0.0004(12) -0.0590(7) 0.092(4) Uiso 0.50 d PD
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.2870 0.9190 '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
C1 Rh P1 102.74(10) . .
C1 Rh Cl2 90.98(10) . .
P1 Rh Cl2 90.65(5) . .
C1 Rh Cl3 86.07(10) . .
P1 Rh Cl3 103.88(5) . .
Cl2 Rh Cl3 165.47(4) . .
C1 Rh Cl1 165.42(10) . .
P1 Rh Cl1 91.74(4) . .
Cl2 Rh Cl1 90.46(5) . .
Cl3 Rh Cl1 88.92(5) . .
C1 Rh P2 30.26(9) . .
P1 Rh P2 131.23(3) . .
Cl2 Rh P2 81.68(4) . .
Cl3 Rh P2 88.72(4) . .
Cl1 Rh P2 136.07(4) . .
C10 P1 C12 102.7(2) . .
C10 P1 C11 109.4(2) . .
C12 P1 C11 104.1(2) . .
C10 P1 Rh 115.14(14) . .
C12 P1 Rh 111.86(14) . .
C11 P1 Rh 112.65(14) . .
C1 P2 C22 112.2(2) . .
C1 P2 C20 113.7(2) . .
C22 P2 C20 109.1(2) . .
C1 P2 C21 106.5(2) . .
C22 P2 C21 109.6(2) . .
C20 P2 C21 105.4(2) . .
C1 P2 Rh 35.41(10) . .
C22 P2 Rh 102.40(13) . .
C20 P2 Rh 144.16(14) . .
C21 P2 Rh 78.80(13) . .
C2 C1 P2 114.7(3) . .
C2 C1 Rh 130.1(3) . .
P2 C1 Rh 114.3(2) . .
C1 C2 C3 178.3(4) . .
C2 C3 C40 121.1(3) . .
C2 C3 C30 119.8(3) . .
C40 C3 C30 119.1(3) . .
C13 C10 C14 109.9(4) . .
C13 C10 P1 115.4(3) . .
C14 C10 P1 113.7(3) . .
C15 C11 C16 107.6(4) . .
C15 C11 P1 116.1(3) . .
C16 C11 P1 113.8(3) . .
C17 C12 C18 111.2(4) . .
C17 C12 P1 113.2(3) . .
C18 C12 P1 113.1(3) . .
C23 C20 C24 111.1(4) . .
C23 C20 P2 116.9(3) . .
C24 C20 P2 112.0(3) . .
C25 C21 C26 109.9(3) . .
C25 C21 P2 112.7(3) . .
C26 C21 P2 115.6(3) . .
C28 C22 C27 111.2(4) . .
C28 C22 P2 113.8(3) . .
C27 C22 P2 112.1(3) . .
C31 C30 C35 117.7(4) . .
C31 C30 C3 122.6(4) . .
C35 C30 C3 119.7(4) . .
C32 C31 C30 121.3(5) . .
C33 C32 C31 120.1(5) . .
C44 C33 C32 119.7(5) . .
C33 C44 C35 121.0(5) . .
C44 C35 C30 120.0(5) . .
C41 C40 C45 117.3(3) . .
C41 C40 C3 122.1(3) . .
C45 C40 C3 120.5(3) . .
C42 C41 C40 121.0(4) . .
C41 C42 C43 120.8(4) . .
C54 C43 C42 119.0(4) . .
C43 C54 C45 120.7(4) . .
C54 C45 C40 121.2(4) . .
Cl5 Cl4 C90 165.4(9) . 2_655
Cl5 Cl4 C90 80.8(7) . .
C90 Cl4 C90 86.6(7) 2_655 .
Cl5 Cl4 Cl4 123.1(7) . 2_655
C90 Cl4 Cl4 43.9(5) 2_655 2_655
C90 Cl4 Cl4 42.6(5) . 2_655
Cl4 Cl5 C90 70.0(7) . .
Cl4 C90 Cl4 93.4(7) 2_655 .
Cl4 C90 Cl5 122.4(8) 2_655 .
Cl4 C90 Cl5 29.2(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh C1 2.089(3) .
Rh P1 2.2513(12) .
Rh Cl2 2.3206(14) .
Rh Cl3 2.3388(14) .
Rh Cl1 2.4149(14) .
Rh P2 3.285(2) .
P1 C10 1.842(4) .
P1 C12 1.848(4) .
P1 C11 1.876(4) .
P2 C1 1.817(3) .
P2 C22 1.833(4) .
P2 C20 1.836(4) .
P2 C21 1.842(4) .
C1 C2 1.297(5) .
C2 C3 1.328(5) .
C3 C40 1.493(5) .
C3 C30 1.495(5) .
C10 C13 1.515(6) .
C10 C14 1.541(6) .
C11 C15 1.524(7) .
C11 C16 1.537(6) .
C12 C17 1.522(6) .
C12 C18 1.533(6) .
C20 C23 1.516(6) .
C20 C24 1.535(6) .
C21 C25 1.526(6) .
C21 C26 1.535(6) .
C22 C28 1.513(6) .
C22 C27 1.539(6) .
C30 C31 1.380(6) .
C30 C35 1.397(6) .
C31 C32 1.374(6) .
C32 C33 1.365(8) .
C33 C44 1.358(8) .
C44 C35 1.378(7) .
C40 C41 1.391(5) .
C40 C45 1.398(5) .
C41 C42 1.378(6) .
C42 C43 1.380(6) .
C43 C54 1.371(6) .
C54 C45 1.377(6) .
Cl4 Cl5 0.857(7) .
Cl4 C90 1.613(13) 2_655
Cl4 C90 1.651(12) .
Cl4 Cl4 2.376(11) 2_655
Cl5 C90 1.734(13) .
C90 Cl4 1.613(13) 2_655
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_4
C1 Rh P1 C10 -17.5(2) . .
Cl2 Rh P1 C10 73.7(2) . .
Cl3 Rh P1 C10 -106.6(2) . .
Cl1 Rh P1 C10 164.1(2) . .
P2 Rh P1 C10 -5.8(2) . .
C1 Rh P1 C12 99.3(2) . .
Cl2 Rh P1 C12 -169.58(14) . .
Cl3 Rh P1 C12 10.21(14) . .
Cl1 Rh P1 C12 -79.10(14) . .
P2 Rh P1 C12 110.93(14) . .
C1 Rh P1 C11 -143.9(2) . .
Cl2 Rh P1 C11 -52.7(2) . .
Cl3 Rh P1 C11 127.1(2) . .
Cl1 Rh P1 C11 37.7(2) . .
P2 Rh P1 C11 -132.2(2) . .
C1 Rh P2 C1 0.000(1) . .
P1 Rh P2 C1 -23.0(2) . .
Cl2 Rh P2 C1 -106.6(2) . .
Cl3 Rh P2 C1 84.4(2) . .
Cl1 Rh P2 C1 171.5(2) . .
C1 Rh P2 C22 110.9(2) . .
P1 Rh P2 C22 87.90(15) . .
Cl2 Rh P2 C22 4.39(14) . .
Cl3 Rh P2 C22 -164.67(14) . .
Cl1 Rh P2 C22 -77.56(15) . .
C1 Rh P2 C20 -40.4(3) . .
P1 Rh P2 C20 -63.4(3) . .
Cl2 Rh P2 C20 -146.9(2) . .
Cl3 Rh P2 C20 44.0(2) . .
Cl1 Rh P2 C20 131.1(2) . .
C1 Rh P2 C21 -141.2(2) . .
P1 Rh P2 C21 -164.20(14) . .
Cl2 Rh P2 C21 112.29(14) . .
Cl3 Rh P2 C21 -56.77(14) . .
Cl1 Rh P2 C21 30.34(14) . .
C22 P2 C1 C2 109.7(3) . .
C20 P2 C1 C2 -14.7(3) . .
C21 P2 C1 C2 -130.3(3) . .
Rh P2 C1 C2 -170.2(4) . .
C22 P2 C1 Rh -80.0(2) . .
C20 P2 C1 Rh 155.5(2) . .
C21 P2 C1 Rh 39.9(2) . .
Rh P2 C1 Rh 0.0 . .
P1 Rh C1 C2 -29.2(4) . .
Cl2 Rh C1 C2 -120.1(3) . .
Cl3 Rh C1 C2 74.2(3) . .
Cl1 Rh C1 C2 144.3(3) . .
P2 Rh C1 C2 168.4(5) . .
P1 Rh C1 P2 162.44(14) . .
Cl2 Rh C1 P2 71.6(2) . .
Cl3 Rh C1 P2 -94.2(2) . .
Cl1 Rh C1 P2 -24.0(5) . .
P2 Rh C1 P2 0.0 . .
P2 C1 C2 C3 174.4(1000) . .
Rh C1 C2 C3 6.1(127) . .
C1 C2 C3 C40 -89.5(125) . .
C1 C2 C3 C30 91.5(125) . .
C12 P1 C10 C13 -177.9(3) . .
C11 P1 C10 C13 71.9(4) . .
Rh P1 C10 C13 -56.1(3) . .
C12 P1 C10 C14 53.8(4) . .
C11 P1 C10 C14 -56.4(4) . .
Rh P1 C10 C14 175.6(3) . .
C10 P1 C11 C15 -43.8(4) . .
C12 P1 C11 C15 -153.0(3) . .
Rh P1 C11 C15 85.6(3) . .
C10 P1 C11 C16 82.0(4) . .
C12 P1 C11 C16 -27.2(4) . .
Rh P1 C11 C16 -148.6(3) . .
C10 P1 C12 C17 53.8(3) . .
C11 P1 C12 C17 167.9(3) . .
Rh P1 C12 C17 -70.2(3) . .
C10 P1 C12 C18 -178.4(3) . .
C11 P1 C12 C18 -64.3(3) . .
Rh P1 C12 C18 57.6(3) . .
C1 P2 C20 C23 71.1(4) . .
C22 P2 C20 C23 -54.9(4) . .
C21 P2 C20 C23 -172.6(3) . .
Rh P2 C20 C23 95.3(4) . .
C1 P2 C20 C24 -58.7(3) . .
C22 P2 C20 C24 175.2(3) . .
C21 P2 C20 C24 57.6(3) . .
Rh P2 C20 C24 -34.5(4) . .
C1 P2 C21 C25 -71.5(3) . .
C22 P2 C21 C25 50.1(3) . .
C20 P2 C21 C25 167.4(3) . .
Rh P2 C21 C25 -49.2(3) . .
C1 P2 C21 C26 161.0(3) . .
C22 P2 C21 C26 -77.5(4) . .
C20 P2 C21 C26 39.9(4) . .
Rh P2 C21 C26 -176.8(3) . .
C1 P2 C22 C28 -42.9(3) . .
C20 P2 C22 C28 84.0(3) . .
C21 P2 C22 C28 -161.0(3) . .
Rh P2 C22 C28 -78.7(3) . .
C1 P2 C22 C27 -170.2(3) . .
C20 P2 C22 C27 -43.2(4) . .
C21 P2 C22 C27 71.7(3) . .
Rh P2 C22 C27 154.1(3) . .
C2 C3 C30 C31 47.2(5) . .
C40 C3 C30 C31 -131.8(4) . .
C2 C3 C30 C35 -132.6(4) . .
C40 C3 C30 C35 48.4(5) . .
C35 C30 C31 C32 -1.6(6) . .
C3 C30 C31 C32 178.6(4) . .
C30 C31 C32 C33 2.1(7) . .
C31 C32 C33 C44 -0.5(8) . .
C32 C33 C44 C35 -1.6(8) . .
C33 C44 C35 C30 2.1(8) . .
C31 C30 C35 C44 -0.5(6) . .
C3 C30 C35 C44 179.3(4) . .
C2 C3 C40 C41 21.8(5) . .
C30 C3 C40 C41 -159.3(3) . .
C2 C3 C40 C45 -155.9(4) . .
C30 C3 C40 C45 23.1(5) . .
C45 C40 C41 C42 -1.8(6) . .
C3 C40 C41 C42 -179.5(4) . .
C40 C41 C42 C43 0.6(6) . .
C41 C42 C43 C54 1.4(7) . .
C42 C43 C54 C45 -2.2(7) . .
C43 C54 C45 C40 1.0(7) . .
C41 C40 C45 C54 1.0(6) . .
C3 C40 C45 C54 178.7(4) . .
C90 Cl4 Cl5 C90 -30.5(37) 2_655 .
C90 Cl4 Cl5 C90 0.0 . .
Cl4 Cl4 Cl5 C90 -6.0(8) 2_655 .
Cl5 Cl4 C90 Cl4 -172.6(9) . 2_655
C90 Cl4 C90 Cl4 0.0 2_655 2_655
Cl4 Cl4 C90 Cl4 0.0 2_655 2_655
Cl5 Cl4 C90 Cl5 0.0 . .
C90 Cl4 C90 Cl5 172.6(9) 2_655 .
Cl4 Cl4 C90 Cl5 172.6(9) 2_655 .
Cl4 Cl5 C90 Cl4 8.7(11) . 2_655
Cl4 Cl5 C90 Cl4 0.0 . .
