#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:16:03 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179782 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/78/7007835.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_7007835
loop_
_publ_author_name
'Hou, Xiu-Feng'
'Liu, Shu'
'Wang, Hui'
'Chen, Yin-Qiang'
'Jin, Guo-Xin'
_publ_section_title
;
 Binuclear half-sandwich cobalt(III) and rhodium(III)
 ortho-carboranedichalocogenolato complexes with ether chain-bridged
 bis(cyclopentadienyl) ligand.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5231
_journal_page_last               5239
_journal_paper_doi               10.1039/b611266h
_journal_year                    2006
_chemical_formula_sum            'C56 H70 B20 Cl4 O P2 Rh2 Se4'
_chemical_formula_weight         1700.72
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 90.573(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.047(3)
_cell_length_b                   18.278(5)
_cell_length_c                   33.285(9)
_cell_measurement_reflns_used    857
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      20.448
_cell_measurement_theta_min      2.311
_cell_volume                     7329(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      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0783
_diffrn_reflns_av_sigmaI/netI    0.1612
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            30475
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.27
_diffrn_standards_decay_%        3.88
_exptl_absorpt_coefficient_mu    2.664
_exptl_absorpt_correction_T_max  0.7765
_exptl_absorpt_correction_T_min  0.6907
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3352
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.516
_refine_diff_density_min         -0.574
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.807
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     812
_refine_ls_number_reflns         12901
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.807
_refine_ls_R_factor_all          0.1553
_refine_ls_R_factor_gt           0.0562
_refine_ls_shift/su_max          0.943
_refine_ls_shift/su_mean         0.124
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0610P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1252
_refine_ls_wR_factor_ref         0.1475
_reflns_number_gt                5064
_reflns_number_total             12901
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b611266h.txt
_cod_data_source_block           f60412d
_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      P2(1)/n
_cod_database_code               7007835
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'
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 0.80129(5) 0.29437(4) 0.39297(2) 0.0481(2) Uani 1 1 d . . .
Rh2 Rh 1.16422(6) 0.29596(5) 0.21477(2) 0.0523(2) Uani 1 1 d . . .
Se1 Se 0.63506(8) 0.37180(6) 0.38777(3) 0.0594(3) Uani 1 1 d . . .
Se2 Se 0.70233(8) 0.21045(6) 0.43759(3) 0.0580(3) Uani 1 1 d . . .
Se3 Se 1.27962(7) 0.21239(6) 0.17522(3) 0.0550(3) Uani 1 1 d . . .
Se4 Se 1.31728(8) 0.38381(6) 0.22047(3) 0.0668(3) Uani 1 1 d . . .
P1 P 0.86377(19) 0.35925(14) 0.44749(7) 0.0484(7) Uani 1 1 d . . .
P2 P 1.1003(2) 0.34577(15) 0.15584(8) 0.0537(7) Uani 1 1 d . . .
O1 O 1.0498(11) 0.1182(5) 0.3233(3) 0.188(6) Uani 1 1 d . . .
B3 B 0.5110(10) 0.2225(7) 0.3723(4) 0.070(4) Uani 1 1 d . . .
H3 H 0.5682 0.2077 0.3481 0.083 Uiso 1 1 calc R . .
B4 B 0.4078(9) 0.2893(8) 0.3656(4) 0.072(4) Uani 1 1 d . . .
H4 H 0.3965 0.3187 0.3370 0.087 Uiso 1 1 calc R . .
B5 B 0.3880(9) 0.3343(8) 0.4118(4) 0.072(4) Uani 1 1 d . . .
H5 H 0.3643 0.3923 0.4133 0.087 Uiso 1 1 calc R . .
B6 B 0.4792(9) 0.2952(7) 0.4479(3) 0.068(4) Uani 1 1 d . . .
H6 H 0.5153 0.3280 0.4725 0.081 Uiso 1 1 calc R . .
B7 B 0.4653(11) 0.1567(8) 0.4072(4) 0.086(5) Uani 1 1 d . . .
H7 H 0.4918 0.0992 0.4057 0.103 Uiso 1 1 calc R . .
B8 B 0.3731(11) 0.1980(10) 0.3707(5) 0.110(6) Uani 1 1 d . . .
H8 H 0.3378 0.1668 0.3453 0.132 Uiso 1 1 calc R . .
B9 B 0.2976(11) 0.2659(10) 0.3955(5) 0.104(6) Uani 1 1 d . . .
H9 H 0.2118 0.2792 0.3864 0.125 Uiso 1 1 calc R . .
B10 B 0.3396(10) 0.2677(9) 0.4461(4) 0.093(5) Uani 1 1 d . . .
H10 H 0.2811 0.2818 0.4701 0.111 Uiso 1 1 calc R . .
B11 B 0.4432(10) 0.2035(9) 0.4541(4) 0.089(5) Uani 1 1 d . . .
H11 H 0.4553 0.1763 0.4833 0.107 Uiso 1 1 calc R . .
B12 B 0.3308(10) 0.1832(10) 0.4218(5) 0.106(6) Uani 1 1 d . . .
H12 H 0.2683 0.1419 0.4297 0.127 Uiso 1 1 calc R . .
B13 B 1.4840(9) 0.3174(6) 0.1610(3) 0.053(3) Uani 1 1 d . . .
H13 H 1.4425 0.3447 0.1355 0.063 Uiso 1 1 calc R . .
B14 B 1.5361(9) 0.2280(7) 0.1566(4) 0.066(4) Uani 1 1 d . . .
H14 H 1.5277 0.1969 0.1285 0.079 Uiso 1 1 calc R . .
B15 B 1.5271(9) 0.1837(7) 0.2037(3) 0.063(4) Uani 1 1 d . . .
H15 H 1.5124 0.1244 0.2057 0.076 Uiso 1 1 calc R . .
B16 B 1.4677(9) 0.2470(7) 0.2376(3) 0.057(3) Uani 1 1 d . . .
H16 H 1.4134 0.2296 0.2622 0.069 Uiso 1 1 calc R . .
B17 B 1.5660(9) 0.3646(7) 0.1971(3) 0.062(3) Uani 1 1 d . . .
H17 H 1.5763 0.4244 0.1955 0.075 Uiso 1 1 calc R . .
B18 B 1.6275(9) 0.3041(7) 0.1633(4) 0.071(4) Uani 1 1 d . . .
H18 H 1.6810 0.3237 0.1390 0.085 Uiso 1 1 calc R . .
B19 B 1.6569(9) 0.2221(8) 0.1890(4) 0.085(5) Uani 1 1 d . . .
H19 H 1.7291 0.1882 0.1814 0.102 Uiso 1 1 calc R . .
B20 B 1.6133(9) 0.2312(8) 0.2385(4) 0.072(4) Uani 1 1 d . . .
H20 H 1.6555 0.2024 0.2633 0.086 Uiso 1 1 calc R . .
B21 B 1.5597(9) 0.3195(8) 0.2426(4) 0.071(4) Uani 1 1 d . . .
H21 H 1.5671 0.3499 0.2710 0.085 Uiso 1 1 calc R . .
B22 B 1.6710(10) 0.3047(8) 0.2134(4) 0.074(4) Uani 1 1 d . . .
H22 H 1.7536 0.3253 0.2221 0.089 Uiso 1 1 calc R . .
C1 C 0.5176(7) 0.3025(5) 0.3982(3) 0.057(3) Uani 1 1 d . . .
C2 C 0.5469(7) 0.2269(5) 0.4230(3) 0.058(3) Uani 1 1 d . . .
C19 C 0.9457(7) 0.4350(5) 0.4277(3) 0.054(3) Uani 1 1 d . . .
C20 C 1.0606(8) 0.4400(6) 0.4337(3) 0.077(3) Uani 1 1 d . . .
H20A H 1.0982 0.4078 0.4506 0.092 Uiso 1 1 calc R . .
C21 C 1.1159(9) 0.4944(8) 0.4135(4) 0.096(4) Uani 1 1 d . . .
H21A H 1.1920 0.4992 0.4179 0.115 Uiso 1 1 calc R . .
C22 C 1.0671(12) 0.5397(7) 0.3885(4) 0.102(4) Uani 1 1 d . . .
H22A H 1.1090 0.5743 0.3748 0.123 Uiso 1 1 calc R . .
C23 C 0.9551(11) 0.5364(6) 0.3823(4) 0.095(4) Uani 1 1 d . . .
H23A H 0.9204 0.5698 0.3653 0.114 Uiso 1 1 calc R . .
C24 C 0.8933(8) 0.4834(6) 0.4013(3) 0.066(3) Uani 1 1 d . . .
H24A H 0.8173 0.4801 0.3965 0.079 Uiso 1 1 calc R . .
C25 C 0.7665(7) 0.3996(6) 0.4840(3) 0.053(3) Uani 1 1 d . . .
C26 C 0.7303(9) 0.4705(7) 0.4809(3) 0.081(4) Uani 1 1 d . . .
H26A H 0.7563 0.5005 0.4605 0.098 Uiso 1 1 calc R . .
C27 C 0.6560(11) 0.4970(8) 0.5079(4) 0.109(5) Uani 1 1 d . . .
H27A H 0.6327 0.5454 0.5062 0.131 Uiso 1 1 calc R . .
C28 C 0.6149(10) 0.4522(10) 0.5379(4) 0.105(5) Uani 1 1 d . . .
H28A H 0.5637 0.4704 0.5561 0.126 Uiso 1 1 calc R . .
C29 C 0.6499(9) 0.3817(8) 0.5405(4) 0.087(4) Uani 1 1 d . . .
H29A H 0.6230 0.3514 0.5606 0.104 Uiso 1 1 calc R . .
C30 C 0.7246(8) 0.3550(6) 0.5134(3) 0.066(3) Uani 1 1 d . . .
H30A H 0.7472 0.3064 0.5150 0.079 Uiso 1 1 calc R . .
C31 C 0.9589(6) 0.3093(6) 0.4806(3) 0.051(3) Uani 1 1 d . . .
C32 C 1.0029(8) 0.3439(6) 0.5148(3) 0.067(3) Uani 1 1 d . . .
H32A H 0.9864 0.3926 0.5203 0.080 Uiso 1 1 calc R . .
C33 C 1.0721(8) 0.3035(8) 0.5403(3) 0.086(4) Uani 1 1 d . . .
H33A H 1.1025 0.3258 0.5630 0.103 Uiso 1 1 calc R . .
C34 C 1.0958(9) 0.2322(8) 0.5326(4) 0.082(4) Uani 1 1 d . . .
H34A H 1.1406 0.2062 0.5505 0.098 Uiso 1 1 calc R . .
C35 C 1.0543(8) 0.1977(7) 0.4987(3) 0.074(3) Uani 1 1 d . . .
H35A H 1.0726 0.1494 0.4930 0.088 Uiso 1 1 calc R . .
C36 C 0.9852(7) 0.2370(6) 0.4733(3) 0.058(3) Uani 1 1 d . . .
H36A H 0.9555 0.2142 0.4507 0.069 Uiso 1 1 calc R . .
C9 C 0.9049(11) 0.2087(7) 0.3623(4) 0.075(3) Uani 1 1 d . . .
C5 C 0.9634(8) 0.2710(8) 0.3664(3) 0.070(3) Uani 1 1 d . . .
H5A H 1.0354 0.2758 0.3801 0.083 Uiso 1 1 calc R . .
C6 C 0.9055(14) 0.3292(7) 0.3443(4) 0.095(5) Uani 1 1 d . . .
H6A H 0.9322 0.3787 0.3386 0.114 Uiso 1 1 calc R . .
C7 C 0.8147(11) 0.2926(10) 0.3267(3) 0.091(4) Uani 1 1 d . . .
H7A H 0.7611 0.3149 0.3081 0.109 Uiso 1 1 calc R . .
C8 C 0.8140(11) 0.2212(10) 0.3382(4) 0.098(5) Uani 1 1 d . . .
H8A H 0.7594 0.1845 0.3297 0.118 Uiso 1 1 calc R . .
C10 C 0.9372(12) 0.1321(7) 0.3786(4) 0.126(5) Uani 1 1 d . . .
H10A H 0.9962 0.1369 0.3984 0.151 Uiso 1 1 calc R . .
H10B H 0.8737 0.1100 0.3915 0.151 Uiso 1 1 calc R . .
C11 C 0.9743(11) 0.0851(7) 0.3455(4) 0.122(5) Uani 1 1 d . . .
H11A H 1.0054 0.0403 0.3565 0.146 Uiso 1 1 calc R . .
H11B H 0.9110 0.0721 0.3287 0.146 Uiso 1 1 calc R . .
C12 C 1.1104(12) 0.0926(8) 0.2973(5) 0.134(6) Uani 1 1 d . . .
H12A H 1.0640 0.0629 0.2798 0.160 Uiso 1 1 calc R . .
H12B H 1.1617 0.0595 0.3107 0.160 Uiso 1 1 calc R . .
C13 C 1.1761(11) 0.1399(7) 0.2717(4) 0.103(4) Uani 1 1 d . . .
H13A H 1.1863 0.1159 0.2460 0.123 Uiso 1 1 calc R . .
H13B H 1.2489 0.1465 0.2839 0.123 Uiso 1 1 calc R . .
C14 C 1.1249(9) 0.2132(7) 0.2647(3) 0.060(3) Uani 1 1 d . . .
C15 C 1.1618(9) 0.2782(7) 0.2817(3) 0.068(3) Uani 1 1 d . . .
H15A H 1.2270 0.2825 0.2994 0.081 Uiso 1 1 calc R . .
C16 C 1.0942(14) 0.3359(9) 0.2708(4) 0.109(5) Uani 1 1 d . . .
H16A H 1.0981 0.3861 0.2812 0.130 Uiso 1 1 calc R . .
C17 C 1.0100(10) 0.3063(10) 0.2467(4) 0.105(6) Uani 1 1 d . . .
H17A H 0.9439 0.3324 0.2371 0.126 Uiso 1 1 calc R . .
C18 C 1.0305(10) 0.2289(8) 0.2421(3) 0.083(4) Uani 1 1 d . . .
H18A H 0.9826 0.1935 0.2282 0.099 Uiso 1 1 calc R . .
C37 C 1.0138(9) 0.4237(6) 0.1683(3) 0.063(3) Uani 1 1 d . . .
C38 C 1.0557(10) 0.4792(7) 0.1915(4) 0.092(4) Uani 1 1 d . . .
H38A H 1.1307 0.4782 0.1985 0.110 Uiso 1 1 calc R . .
C39 C 0.9924(12) 0.5360(7) 0.2048(4) 0.102(4) Uani 1 1 d . . .
H39A H 1.0250 0.5728 0.2202 0.123 Uiso 1 1 calc R . .
C40 C 0.8823(13) 0.5393(7) 0.1958(4) 0.105(5) Uani 1 1 d . . .
H40A H 0.8386 0.5774 0.2053 0.126 Uiso 1 1 calc R . .
C41 C 0.8379(10) 0.4857(9) 0.1726(4) 0.112(5) Uani 1 1 d . . .
H41A H 0.7628 0.4881 0.1659 0.134 Uiso 1 1 calc R . .
C42 C 0.9008(9) 0.4263(6) 0.1583(3) 0.082(4) Uani 1 1 d . . .
H42A H 0.8682 0.3900 0.1426 0.098 Uiso 1 1 calc R . .
C43 C 1.0130(7) 0.2855(7) 0.1254(3) 0.057(3) Uani 1 1 d . . .
C44 C 0.9890(8) 0.2158(7) 0.1364(3) 0.068(3) Uani 1 1 d . . .
H44A H 1.0189 0.1979 0.1604 0.081 Uiso 1 1 calc R . .
C45 C 0.9211(9) 0.1700(7) 0.1133(4) 0.082(4) Uani 1 1 d . . .
H45A H 0.9060 0.1226 0.1219 0.098 Uiso 1 1 calc R . .
C46 C 0.8774(9) 0.1953(8) 0.0782(4) 0.093(4) Uani 1 1 d . . .
H46A H 0.8309 0.1655 0.0629 0.111 Uiso 1 1 calc R . .
C47 C 0.9012(9) 0.2637(9) 0.0654(4) 0.091(4) Uani 1 1 d . . .
H47A H 0.8734 0.2801 0.0408 0.109 Uiso 1 1 calc R . .
C48 C 0.9685(8) 0.3106(7) 0.0892(3) 0.080(4) Uani 1 1 d . . .
H48A H 0.9828 0.3581 0.0807 0.096 Uiso 1 1 calc R . .
C49 C 1.1965(8) 0.3792(7) 0.1176(3) 0.062(3) Uani 1 1 d . . .
C50 C 1.2288(9) 0.4515(7) 0.1156(3) 0.089(4) Uani 1 1 d . . .
H50A H 1.1999 0.4858 0.1332 0.107 Uiso 1 1 calc R . .
C51 C 1.3068(11) 0.4727(8) 0.0861(4) 0.109(5) Uani 1 1 d . . .
H51A H 1.3313 0.5209 0.0848 0.131 Uiso 1 1 calc R . .
C52 C 1.3454(12) 0.4226(11) 0.0598(5) 0.121(6) Uani 1 1 d . . .
H52A H 1.3958 0.4365 0.0403 0.145 Uiso 1 1 calc R . .
C53 C 1.3112(10) 0.3523(9) 0.0619(4) 0.094(4) Uani 1 1 d . . .
H53A H 1.3383 0.3188 0.0434 0.113 Uiso 1 1 calc R . .
C54 C 1.2379(8) 0.3290(7) 0.0902(3) 0.075(3) Uani 1 1 d . . .
H54A H 1.2160 0.2802 0.0912 0.090 Uiso 1 1 calc R . .
C3 C 1.4289(7) 0.2475(5) 0.1884(2) 0.048(2) Uani 1 1 d . . .
C4 C 1.4483(7) 0.3238(5) 0.2105(3) 0.049(3) Uani 1 1 d . . .
Cl3 Cl 0.8426(9) 0.9803(6) 0.4420(3) 0.434(7) Uani 1 1 d . . .
Cl4 Cl 0.6466(11) 0.9609(6) 0.4824(3) 0.467(8) Uani 1 1 d . . .
Cl1 Cl -0.1143(7) 1.0340(4) 0.2042(2) 0.302(4) Uani 1 1 d . . .
Cl2 Cl 0.1176(6) 1.0319(4) 0.1661(2) 0.257(3) Uani 1 1 d . . .
C55 C 0.0232(18) 0.9883(13) 0.1901(6) 0.242(10) Uiso 1 1 d . . .
H55A H 0.0571 0.9709 0.2149 0.290 Uiso 1 1 calc R . .
H55B H 0.0048 0.9453 0.1743 0.290 Uiso 1 1 calc R . .
C56 C 0.714(2) 1.0048(14) 0.4580(7) 0.259(12) Uiso 1 1 d . . .
H56A H 0.7236 1.0509 0.4721 0.311 Uiso 1 1 calc R . .
H56B H 0.6709 1.0156 0.4340 0.311 Uiso 1 1 calc R . .
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'
O O 0.0106 0.0060 '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'
Se Se -0.0929 2.2259 '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'
Cl Cl 0.1484 0.1585 '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
C6 Rh1 C5 39.3(4) . . ?
C6 Rh1 C7 37.5(4) . . ?
C5 Rh1 C7 61.4(4) . . ?
C6 Rh1 C9 62.3(4) . . ?
C5 Rh1 C9 35.2(4) . . ?
C7 Rh1 C9 59.5(5) . . ?
C6 Rh1 C8 61.6(5) . . ?
C5 Rh1 C8 59.6(4) . . ?
C7 Rh1 C8 35.3(4) . . ?
C9 Rh1 C8 35.3(4) . . ?
C6 Rh1 P1 104.7(4) . . ?
C5 Rh1 P1 97.7(3) . . ?
C7 Rh1 P1 140.4(5) . . ?
C9 Rh1 P1 122.7(4) . . ?
C8 Rh1 P1 156.7(4) . . ?
C6 Rh1 Se2 158.4(3) . . ?
C5 Rh1 Se2 124.2(4) . . ?
C7 Rh1 Se2 129.4(5) . . ?
C9 Rh1 Se2 96.6(3) . . ?
C8 Rh1 Se2 99.0(4) . . ?
P1 Rh1 Se2 90.11(7) . . ?
C6 Rh1 Se1 104.9(4) . . ?
C5 Rh1 Se1 144.3(4) . . ?
C7 Rh1 Se1 90.3(4) . . ?
C9 Rh1 Se1 145.4(4) . . ?
C8 Rh1 Se1 110.2(4) . . ?
P1 Rh1 Se1 91.08(7) . . ?
Se2 Rh1 Se1 90.12(4) . . ?
C17 Rh2 C16 37.5(4) . . ?
C17 Rh2 C18 38.4(4) . . ?
C16 Rh2 C18 63.1(5) . . ?
C17 Rh2 C15 60.4(4) . . ?
C16 Rh2 C15 36.2(4) . . ?
C18 Rh2 C15 60.0(4) . . ?
C17 Rh2 P2 95.9(3) . . ?
C16 Rh2 P2 118.0(5) . . ?
C18 Rh2 P2 109.3(3) . . ?
C15 Rh2 P2 153.8(3) . . ?
C17 Rh2 C14 61.1(4) . . ?
C16 Rh2 C14 61.2(5) . . ?
C18 Rh2 C14 35.7(3) . . ?
C15 Rh2 C14 35.5(3) . . ?
P2 Rh2 C14 144.2(3) . . ?
C17 Rh2 Se4 123.7(6) . . ?
C16 Rh2 Se4 90.6(4) . . ?
C18 Rh2 Se4 151.2(3) . . ?
C15 Rh2 Se4 92.0(3) . . ?
P2 Rh2 Se4 92.99(8) . . ?
C14 Rh2 Se4 122.3(3) . . ?
C17 Rh2 Se3 144.4(5) . . ?
C16 Rh2 Se3 153.2(5) . . ?
C18 Rh2 Se3 107.0(4) . . ?
C15 Rh2 Se3 117.0(3) . . ?
P2 Rh2 Se3 88.60(7) . . ?
C14 Rh2 Se3 95.7(3) . . ?
Se4 Rh2 Se3 91.12(4) . . ?
C1 Se1 Rh1 102.0(3) . . ?
C2 Se2 Rh1 103.0(3) . . ?
C3 Se3 Rh2 101.5(3) . . ?
C4 Se4 Rh2 103.2(3) . . ?
C31 P1 C19 105.0(4) . . ?
C31 P1 C25 101.5(4) . . ?
C19 P1 C25 106.5(5) . . ?
C31 P1 Rh1 114.8(4) . . ?
C19 P1 Rh1 106.3(3) . . ?
C25 P1 Rh1 121.4(3) . . ?
C37 P2 C43 105.8(5) . . ?
C37 P2 C49 105.4(5) . . ?
C43 P2 C49 100.4(5) . . ?
C37 P2 Rh2 107.8(3) . . ?
C43 P2 Rh2 115.0(4) . . ?
C49 P2 Rh2 121.2(3) . . ?
C12 O1 C11 129.4(13) . . ?
C1 B3 B8 106.3(9) . . ?
C1 B3 C2 57.2(6) . . ?
B8 B3 C2 105.9(9) . . ?
C1 B3 B4 59.7(7) . . ?
B8 B3 B4 59.7(8) . . ?
C2 B3 B4 105.2(8) . . ?
C1 B3 B7 105.5(8) . . ?
B8 B3 B7 62.3(8) . . ?
C2 B3 B7 58.0(6) . . ?
B4 B3 B7 109.5(9) . . ?
C1 B4 B3 58.5(6) . . ?
C1 B4 B9 105.2(9) . . ?
B3 B4 B9 107.6(11) . . ?
C1 B4 B8 105.0(9) . . ?
B3 B4 B8 59.1(8) . . ?
B9 B4 B8 61.0(9) . . ?
C1 B4 B5 59.6(6) . . ?
B3 B4 B5 108.3(9) . . ?
B9 B4 B5 59.9(7) . . ?
B8 B4 B5 109.2(10) . . ?
C1 B5 B9 104.0(9) . . ?
C1 B5 B10 104.0(9) . . ?
B9 B5 B10 60.0(8) . . ?
C1 B5 B6 59.1(6) . . ?
B9 B5 B6 107.7(11) . . ?
B10 B5 B6 59.4(7) . . ?
C1 B5 B4 59.0(6) . . ?
B9 B5 B4 58.9(7) . . ?
B10 B5 B4 107.0(10) . . ?
B6 B5 B4 108.4(9) . . ?
C2 B6 C1 57.3(5) . . ?
C2 B6 B10 103.7(9) . . ?
C1 B6 B10 104.8(8) . . ?
C2 B6 B11 58.4(7) . . ?
C1 B6 B11 104.9(9) . . ?
B10 B6 B11 59.3(8) . . ?
C2 B6 B5 105.1(8) . . ?
C1 B6 B5 59.2(6) . . ?
B10 B6 B5 60.3(7) . . ?
B11 B6 B5 108.3(10) . . ?
C2 B7 B3 60.3(6) . . ?
C2 B7 B12 103.7(10) . . ?
B3 B7 B12 106.7(11) . . ?
C2 B7 B11 57.4(6) . . ?
B3 B7 B11 107.2(10) . . ?
B12 B7 B11 59.2(8) . . ?
C2 B7 B8 104.2(10) . . ?
B3 B7 B8 57.7(8) . . ?
B12 B7 B8 60.6(8) . . ?
B11 B7 B8 106.9(11) . . ?
B3 B8 B4 61.2(8) . . ?
B3 B8 B9 107.8(11) . . ?
B4 B8 B9 59.3(9) . . ?
B3 B8 B12 106.9(10) . . ?
B4 B8 B12 108.0(11) . . ?
B9 B8 B12 60.5(8) . . ?
B3 B8 B7 60.0(7) . . ?
B4 B8 B7 108.8(9) . . ?
B9 B8 B7 107.4(11) . . ?
B12 B8 B7 58.6(8) . . ?
B10 B9 B4 109.5(9) . . ?
B10 B9 B5 60.9(8) . . ?
B4 B9 B5 61.2(7) . . ?
B10 B9 B8 108.7(12) . . ?
B4 B9 B8 59.7(8) . . ?
B5 B9 B8 109.2(9) . . ?
B10 B9 B12 59.0(9) . . ?
B4 B9 B12 108.8(11) . . ?
B5 B9 B12 108.5(10) . . ?
B8 B9 B12 61.1(10) . . ?
B9 B10 B12 61.5(9) . . ?
B9 B10 B6 107.7(9) . . ?
B12 B10 B6 108.8(10) . . ?
B9 B10 B11 109.6(11) . . ?
B12 B10 B11 60.8(9) . . ?
B6 B10 B11 59.9(7) . . ?
B9 B10 B5 59.1(8) . . ?
B12 B10 B5 109.0(10) . . ?
B6 B10 B5 60.3(7) . . ?
B11 B10 B5 108.8(9) . . ?
C2 B11 B10 105.8(11) . . ?
C2 B11 B12 104.4(9) . . ?
B10 B11 B12 60.0(8) . . ?
C2 B11 B6 59.8(7) . . ?
B10 B11 B6 60.7(8) . . ?
B12 B11 B6 108.8(11) . . ?
C2 B11 B7 58.1(6) . . ?
B10 B11 B7 107.5(10) . . ?
B12 B11 B7 59.3(8) . . ?
B6 B11 B7 108.4(9) . . ?
B10 B12 B11 59.2(8) . . ?
B10 B12 B7 108.6(9) . . ?
B11 B12 B7 61.5(7) . . ?
B10 B12 B9 59.5(9) . . ?
B11 B12 B9 106.7(11) . . ?
B7 B12 B9 107.4(10) . . ?
B10 B12 B8 106.8(12) . . ?
B11 B12 B8 108.8(9) . . ?
B7 B12 B8 60.7(8) . . ?
B9 B12 B8 58.4(9) . . ?
C3 B13 C4 55.5(5) . . ?
C3 B13 B18 105.2(8) . . ?
C4 B13 B18 103.0(8) . . ?
C3 B13 B14 59.3(6) . . ?
C4 B13 B14 103.7(8) . . ?
B18 B13 B14 61.3(7) . . ?
C3 B13 B17 102.7(8) . . ?
C4 B13 B17 57.1(5) . . ?
B18 B13 B17 59.6(6) . . ?
B14 B13 B17 108.2(9) . . ?
C3 B14 B13 58.9(6) . . ?
C3 B14 B15 59.7(6) . . ?
B13 B14 B15 109.1(8) . . ?
C3 B14 B18 103.2(8) . . ?
B13 B14 B18 59.0(6) . . ?
B15 B14 B18 106.8(9) . . ?
C3 B14 B19 104.6(8) . . ?
B13 B14 B19 107.0(9) . . ?
B15 B14 B19 60.0(7) . . ?
B18 B14 B19 58.6(7) . . ?
C3 B15 B20 104.8(8) . . ?
C3 B15 B16 57.9(6) . . ?
B20 B15 B16 60.2(6) . . ?
C3 B15 B14 58.6(6) . . ?
B20 B15 B14 108.3(9) . . ?
B16 B15 B14 107.1(9) . . ?
C3 B15 B19 104.5(9) . . ?
B20 B15 B19 58.6(7) . . ?
B16 B15 B19 106.1(9) . . ?
B14 B15 B19 61.0(7) . . ?
C4 B16 C3 56.1(5) . . ?
C4 B16 B21 60.0(7) . . ?
C3 B16 B21 104.9(8) . . ?
C4 B16 B20 106.0(9) . . ?
C3 B16 B20 106.2(7) . . ?
B21 B16 B20 59.6(7) . . ?
C4 B16 B15 104.9(8) . . ?
C3 B16 B15 59.9(6) . . ?
B21 B16 B15 107.4(9) . . ?
B20 B16 B15 60.0(6) . . ?
C4 B17 B21 60.5(6) . . ?
C4 B17 B22 104.5(9) . . ?
B21 B17 B22 57.9(7) . . ?
C4 B17 B18 104.8(8) . . ?
B21 B17 B18 106.5(9) . . ?
B22 B17 B18 59.6(7) . . ?
C4 B17 B13 59.6(6) . . ?
B21 B17 B13 109.4(9) . . ?
B22 B17 B13 107.5(9) . . ?
B18 B17 B13 59.4(6) . . ?
B22 B18 B13 109.3(8) . . ?
B22 B18 B17 60.4(7) . . ?
B13 B18 B17 61.0(6) . . ?
B22 B18 B19 58.9(7) . . ?
B13 B18 B19 109.6(8) . . ?
B17 B18 B19 108.1(9) . . ?
B22 B18 B14 107.7(9) . . ?
B13 B18 B14 59.6(6) . . ?
B17 B18 B14 108.0(8) . . ?
B19 B18 B14 61.2(7) . . ?
B22 B19 B20 60.0(8) . . ?
B22 B19 B18 60.1(8) . . ?
B20 B19 B18 108.5(10) . . ?
B22 B19 B15 107.4(9) . . ?
B20 B19 B15 60.3(7) . . ?
B18 B19 B15 107.2(8) . . ?
B22 B19 B14 107.8(9) . . ?
B20 B19 B14 108.1(8) . . ?
B18 B19 B14 60.1(7) . . ?
B15 B19 B14 59.0(6) . . ?
B22 B20 B19 59.4(7) . . ?
B22 B20 B21 58.0(7) . . ?
B19 B20 B21 106.1(10) . . ?
B22 B20 B16 105.4(9) . . ?
B19 B20 B16 107.8(8) . . ?
B21 B20 B16 59.0(6) . . ?
B22 B20 B15 107.5(9) . . ?
B19 B20 B15 61.1(7) . . ?
B21 B20 B15 106.8(8) . . ?
B16 B20 B15 59.9(6) . . ?
B22 B21 C4 105.7(9) . . ?
B22 B21 B17 61.9(7) . . ?
C4 B21 B17 58.0(6) . . ?
B22 B21 B16 109.5(10) . . ?
C4 B21 B16 58.6(6) . . ?
B17 B21 B16 108.3(8) . . ?
B22 B21 B20 60.6(7) . . ?
C4 B21 B20 106.4(9) . . ?
B17 B21 B20 110.7(9) . . ?
B16 B21 B20 61.5(7) . . ?
B21 B22 B19 109.7(9) . . ?
B21 B22 B20 61.4(7) . . ?
B19 B22 B20 60.6(7) . . ?
B21 B22 B18 108.6(8) . . ?
B19 B22 B18 61.0(7) . . ?
B20 B22 B18 109.7(9) . . ?
B21 B22 B17 60.2(7) . . ?
B19 B22 B17 109.5(9) . . ?
B20 B22 B17 110.0(8) . . ?
B18 B22 B17 60.0(7) . . ?
C2 C1 B3 62.6(6) . . ?
C2 C1 B4 111.0(8) . . ?
B3 C1 B4 61.8(7) . . ?
C2 C1 B6 60.8(6) . . ?
B3 C1 B6 114.0(9) . . ?
B4 C1 B6 112.5(8) . . ?
C2 C1 B5 109.8(8) . . ?
B3 C1 B5 112.5(8) . . ?
B4 C1 B5 61.4(6) . . ?
B6 C1 B5 61.6(6) . . ?
C2 C1 Se1 119.1(6) . . ?
B3 C1 Se1 120.3(6) . . ?
B4 C1 Se1 122.6(7) . . ?
B6 C1 Se1 115.2(7) . . ?
B5 C1 Se1 119.5(7) . . ?
C1 C2 B11 111.4(9) . . ?
C1 C2 B7 111.0(8) . . ?
B11 C2 B7 64.4(7) . . ?
C1 C2 B6 62.0(6) . . ?
B11 C2 B6 61.8(7) . . ?
B7 C2 B6 115.1(8) . . ?
C1 C2 B3 60.1(6) . . ?
B11 C2 B3 113.9(8) . . ?
B7 C2 B3 61.7(7) . . ?
B6 C2 B3 112.9(8) . . ?
C1 C2 Se2 117.0(6) . . ?
B11 C2 Se2 121.6(7) . . ?
B7 C2 Se2 120.8(8) . . ?
B6 C2 Se2 116.9(6) . . ?
B3 C2 Se2 117.5(6) . . ?
C24 C19 C20 119.3(9) . . ?
C24 C19 P1 117.8(7) . . ?
C20 C19 P1 122.4(8) . . ?
C21 C20 C19 117.5(11) . . ?
C22 C21 C20 123.4(12) . . ?
C21 C22 C23 120.3(12) . . ?
C24 C23 C22 120.1(12) . . ?
C23 C24 C19 119.4(10) . . ?
C26 C25 C30 119.6(10) . . ?
C26 C25 P1 122.1(8) . . ?
C30 C25 P1 118.1(8) . . ?
C25 C26 C27 119.8(12) . . ?
C28 C27 C26 120.4(14) . . ?
C29 C28 C27 119.6(13) . . ?
C28 C29 C30 120.1(13) . . ?
C29 C30 C25 120.4(11) . . ?
C36 C31 C32 119.3(9) . . ?
C36 C31 P1 121.0(8) . . ?
C32 C31 P1 119.6(9) . . ?
C33 C32 C31 118.3(11) . . ?
C34 C33 C32 121.3(12) . . ?
C33 C34 C35 121.0(12) . . ?
C36 C35 C34 118.3(12) . . ?
C35 C36 C31 121.8(11) . . ?
C5 C9 C8 109.4(12) . . ?
C5 C9 C10 126.9(14) . . ?
C8 C9 C10 123.5(15) . . ?
C5 C9 Rh1 70.0(7) . . ?
C8 C9 Rh1 73.0(7) . . ?
C10 C9 Rh1 127.5(7) . . ?
C9 C5 C6 108.5(10) . . ?
C9 C5 Rh1 74.8(6) . . ?
C6 C5 Rh1 68.9(5) . . ?
C7 C6 C5 103.2(11) . . ?
C7 C6 Rh1 73.5(6) . . ?
C5 C6 Rh1 71.7(5) . . ?
C8 C7 C6 110.3(13) . . ?
C8 C7 Rh1 74.6(8) . . ?
C6 C7 Rh1 69.0(6) . . ?
C7 C8 C9 108.5(14) . . ?
C7 C8 Rh1 70.1(8) . . ?
C9 C8 Rh1 71.7(7) . . ?
C11 C10 C9 110.2(11) . . ?
O1 C11 C10 111.5(12) . . ?
O1 C12 C13 121.1(14) . . ?
C12 C13 C14 113.5(10) . . ?
C15 C14 C18 107.6(11) . . ?
C15 C14 C13 125.1(11) . . ?
C18 C14 C13 127.3(13) . . ?
C15 C14 Rh2 70.4(6) . . ?
C18 C14 Rh2 69.2(6) . . ?
C13 C14 Rh2 128.0(7) . . ?
C14 C15 C16 111.2(11) . . ?
C14 C15 Rh2 74.2(6) . . ?
C16 C15 Rh2 69.1(7) . . ?
C17 C16 C15 106.1(13) . . ?
C17 C16 Rh2 70.4(7) . . ?
C15 C16 Rh2 74.7(7) . . ?
C16 C17 C18 108.5(12) . . ?
C16 C17 Rh2 72.1(7) . . ?
C18 C17 Rh2 73.3(6) . . ?
C14 C18 C17 106.6(11) . . ?
C14 C18 Rh2 75.1(6) . . ?
C17 C18 Rh2 68.3(6) . . ?
C38 C37 C42 117.5(10) . . ?
C38 C37 P2 120.1(9) . . ?
C42 C37 P2 122.1(10) . . ?
C39 C38 C37 122.8(12) . . ?
C38 C39 C40 120.7(13) . . ?
C41 C40 C39 118.2(13) . . ?
C40 C41 C42 122.6(12) . . ?
C37 C42 C41 118.1(12) . . ?
C44 C43 C48 117.6(10) . . ?
C44 C43 P2 122.7(9) . . ?
C48 C43 P2 119.8(10) . . ?
C43 C44 C45 122.6(11) . . ?
C46 C45 C44 119.4(13) . . ?
C47 C46 C45 120.2(13) . . ?
C46 C47 C48 120.3(12) . . ?
C43 C48 C47 119.9(12) . . ?
C50 C49 C54 119.8(10) . . ?
C50 C49 P2 122.3(9) . . ?
C54 C49 P2 117.9(9) . . ?
C49 C50 C51 119.0(12) . . ?
C52 C51 C50 119.8(14) . . ?
C51 C52 C53 120.3(14) . . ?
C52 C53 C54 122.1(14) . . ?
C53 C54 C49 119.0(12) . . ?
C4 C3 B16 61.4(6) . . ?
C4 C3 B13 62.3(6) . . ?
B16 C3 B13 114.5(8) . . ?
C4 C3 B14 111.0(7) . . ?
B16 C3 B14 113.0(7) . . ?
B13 C3 B14 61.8(6) . . ?
C4 C3 B15 110.9(7) . . ?
B16 C3 B15 62.1(6) . . ?
B13 C3 B15 113.1(7) . . ?
B14 C3 B15 61.7(6) . . ?
C4 C3 Se3 121.4(6) . . ?
B16 C3 Se3 117.2(6) . . ?
B13 C3 Se3 119.2(6) . . ?
B14 C3 Se3 119.4(6) . . ?
B15 C3 Se3 117.9(7) . . ?
C3 C4 B17 113.0(7) . . ?
C3 C4 B16 62.4(6) . . ?
B17 C4 B16 113.8(8) . . ?
C3 C4 B21 111.1(8) . . ?
B17 C4 B21 61.5(6) . . ?
B16 C4 B21 61.5(6) . . ?
C3 C4 B13 62.1(5) . . ?
B17 C4 B13 63.3(6) . . ?
B16 C4 B13 115.1(7) . . ?
B21 C4 B13 113.4(8) . . ?
C3 C4 Se4 117.1(6) . . ?
B17 C4 Se4 119.0(7) . . ?
B16 C4 Se4 119.0(6) . . ?
B21 C4 Se4 123.3(7) . . ?
B13 C4 Se4 114.5(6) . . ?
Cl2 C55 Cl1 121.4(15) . . ?
Cl4 C56 Cl3 124.3(19) . . ?
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 C6 2.155(9) . ?
Rh1 C5 2.194(9) . ?
Rh1 C7 2.212(11) . ?
Rh1 C9 2.253(11) . ?
Rh1 C8 2.268(12) . ?
Rh1 P1 2.289(3) . ?
Rh1 Se2 2.4526(13) . ?
Rh1 Se1 2.4568(13) . ?
Rh2 C17 2.158(10) . ?
Rh2 C16 2.181(11) . ?
Rh2 C18 2.226(10) . ?
Rh2 C15 2.252(10) . ?
Rh2 P2 2.289(3) . ?
Rh2 C14 2.300(10) . ?
Rh2 Se4 2.4508(14) . ?
Rh2 Se3 2.4566(13) . ?
Se1 C1 1.933(10) . ?
Se2 C2 1.953(9) . ?
Se3 C3 1.955(8) . ?
Se4 C4 1.954(9) . ?
P1 C31 1.827(9) . ?
P1 C19 1.827(9) . ?
P1 C25 1.849(9) . ?
P2 C37 1.815(11) . ?
P2 C43 1.824(10) . ?
P2 C49 1.834(9) . ?
O1 C12 1.231(13) . ?
O1 C11 1.325(13) . ?
B3 C1 1.699(15) . ?
B3 B8 1.721(17) . ?
B3 C2 1.739(14) . ?
B3 B4 1.756(17) . ?
B3 B7 1.762(18) . ?
B4 C1 1.720(13) . ?
B4 B9 1.722(17) . ?
B4 B8 1.73(2) . ?
B4 B5 1.763(16) . ?
B5 C1 1.730(13) . ?
B5 B9 1.740(19) . ?
B5 B10 1.772(19) . ?
B5 B6 1.772(17) . ?
B6 C2 1.709(14) . ?
B6 C1 1.729(14) . ?
B6 B10 1.756(16) . ?
B6 B11 1.743(18) . ?
B7 C2 1.697(14) . ?
B7 B12 1.765(18) . ?
B7 B11 1.803(18) . ?
B7 B8 1.80(2) . ?
B8 B9 1.75(2) . ?
B8 B12 1.80(2) . ?
B9 B10 1.755(19) . ?
B9 B12 1.79(2) . ?
B10 B12 1.75(2) . ?
B10 B11 1.73(2) . ?
B11 C2 1.685(14) . ?
B11 B12 1.761(18) . ?
B13 C3 1.707(13) . ?
B13 C4 1.710(13) . ?
B13 B18 1.746(14) . ?
B13 B14 1.757(16) . ?
B13 B17 1.773(15) . ?
B14 C3 1.715(13) . ?
B14 B15 1.768(15) . ?
B14 B18 1.786(17) . ?
B14 B19 1.805(17) . ?
B15 C3 1.735(14) . ?
B15 B20 1.774(16) . ?
B15 B16 1.772(15) . ?
B15 B19 1.787(16) . ?
B16 C4 1.684(14) . ?
B16 C3 1.699(13) . ?
B16 B21 1.734(17) . ?
B16 B20 1.778(15) . ?
B17 C4 1.666(13) . ?
B17 B21 1.726(16) . ?
B17 B22 1.755(17) . ?
B17 B18 1.748(16) . ?
B18 B22 1.742(16) . ?
B18 B19 1.759(18) . ?
B19 B22 1.721(18) . ?
B19 B20 1.742(16) . ?
B20 B22 1.732(18) . ?
B20 B21 1.745(18) . ?
B21 B22 1.687(16) . ?
B21 C4 1.709(14) . ?
C1 C2 1.647(13) . ?
C19 C24 1.394(12) . ?
C19 C20 1.399(11) . ?
C20 C21 1.375(14) . ?
C21 C22 1.311(15) . ?
C22 C23 1.364(14) . ?
C23 C24 1.378(13) . ?
C25 C26 1.372(13) . ?
C25 C30 1.374(12) . ?
C26 C27 1.363(13) . ?
C27 C28 1.385(17) . ?
C28 C29 1.359(16) . ?
C29 C30 1.369(13) . ?
C31 C36 1.381(12) . ?
C31 C32 1.400(12) . ?
C32 C33 1.395(13) . ?
C33 C34 1.359(15) . ?
C34 C35 1.383(14) . ?
C35 C36 1.381(12) . ?
C9 C5 1.346(14) . ?
C9 C8 1.371(15) . ?
C9 C10 1.548(15) . ?
C5 C6 1.464(15) . ?
C6 C7 1.405(16) . ?
C7 C8 1.359(16) . ?
C10 C11 1.469(14) . ?
C12 C13 1.454(15) . ?
C13 C14 1.493(14) . ?
C14 C15 1.387(13) . ?
C14 C18 1.388(13) . ?
C15 C16 1.380(16) . ?
C16 C17 1.397(17) . ?
C17 C18 1.444(17) . ?
C37 C38 1.369(14) . ?
C37 C42 1.399(12) . ?
C38 C39 1.365(14) . ?
C39 C40 1.358(15) . ?
C40 C41 1.356(16) . ?
C41 C42 1.409(15) . ?
C43 C44 1.357(13) . ?
C43 C48 1.390(13) . ?
C44 C45 1.397(14) . ?
C45 C46 1.359(14) . ?
C46 C47 1.353(15) . ?
C47 C48 1.417(15) . ?
C49 C50 1.380(14) . ?
C49 C54 1.390(13) . ?
C50 C51 1.419(14) . ?
C51 C52 1.351(17) . ?
C52 C53 1.351(17) . ?
C53 C54 1.367(14) . ?
C3 C4 1.592(12) . ?
Cl3 C56 1.70(2) . ?
Cl4 C56 1.41(2) . ?
Cl1 C55 1.92(2) . ?
Cl2 C55 1.61(2) . ?
