#------------------------------------------------------------------------------
#$Date: 2016-03-21 08:46:09 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178611 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/22/4072213.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_4072213
loop_
_publ_author_name
'Rechavi, Dalit'
'Scopelliti, Rosario'
'Severin, Kay'
_publ_section_title
;
 The Enigmatic Nature of RhICl(cyclopentadienone) Complexes: Dimers,
 Trimers, and Tetramers
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              5978
_journal_paper_doi               10.1021/om800671x
_journal_volume                  27
_journal_year                    2008
_chemical_formula_sum            'C122 H92 Cl16 O4 Rh4'
_chemical_formula_weight         2600.80
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 105.813(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.3100(7)
_cell_length_b                   17.7651(6)
_cell_length_c                   27.4450(8)
_cell_measurement_reflns_used    10600
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      28.3766
_cell_measurement_theta_min      2.8474
_cell_volume                     11404.1(6)
_computing_cell_refinement
; 
CrysAlis RED, Oxford Diffraction Ltd., 
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET) 
(compiled May  8 2007,13:10:02) 
;
_computing_data_collection
; 
CrysAlis CCD, Oxford Diffraction Ltd., 
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET) 
(compiled May  8 2007,13:10:02) 
;
_computing_data_reduction
; 
CrysAlis RED, Oxford Diffraction Ltd., 
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET) 
(compiled May  8 2007,13:10:02) 
;
_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      140(2)
_diffrn_detector_area_resol_mean 8.2812
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'Oxford Diffraction, KM4/Sapphire CCD'
_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  0.0711
_diffrn_reflns_av_sigmaI/netI    0.0840
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            33663
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.85
_exptl_absorpt_coefficient_mu    0.996
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.82962
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
CrysAlis RED, Oxford Diffraction Ltd., 
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET) 
(compiled May  8 2007,13:10:02) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.515
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             5232
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.18
_platon_squeeze_details          ' '
_refine_diff_density_max         1.079
_refine_diff_density_min         -0.799
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     666
_refine_ls_number_reflns         9716
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0913
_refine_ls_R_factor_gt           0.0506
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0567P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1026
_refine_ls_wR_factor_ref         0.1178
_reflns_number_gt                6426
_reflns_number_total             9716
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800671x_si_001.cif
_cod_data_source_block           complex_1
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4072213
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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 0.355069(18) 0.31042(3) -0.136026(15) 0.02065(12) Uani 1 1 d . . .
Rh2 Rh 0.272163(17) 0.33073(2) -0.030869(15) 0.01749(12) Uani 1 1 d . . .
Cl1 Cl 0.31710(6) 0.24033(8) -0.07890(5) 0.0289(3) Uani 1 1 d . . .
Cl2 Cl 0.18935(5) 0.24979(8) -0.04338(5) 0.0219(3) Uani 1 1 d . . .
O1 O 0.49616(16) 0.3327(2) -0.13327(14) 0.0324(10) Uani 1 1 d . . .
O2 O 0.30146(14) 0.3977(2) -0.12733(12) 0.0212(9) Uani 1 1 d . . .
C1 C 0.4474(2) 0.3124(3) -0.1552(2) 0.0262(14) Uani 1 1 d . . .
C2 C 0.4000(2) 0.3580(3) -0.18706(19) 0.0223(13) Uani 1 1 d . . .
C3 C 0.3551(2) 0.3070(3) -0.21184(19) 0.0234(13) Uani 1 1 d . . .
C4 C 0.3683(2) 0.2321(3) -0.18943(19) 0.0212(13) Uani 1 1 d . . .
C5 C 0.4210(2) 0.2387(3) -0.14987(19) 0.0195(12) Uani 1 1 d . . .
C6 C 0.4037(2) 0.4402(3) -0.19565(19) 0.0246(14) Uani 1 1 d . . .
C7 C 0.4552(3) 0.4722(4) -0.1968(2) 0.0300(14) Uani 1 1 d . . .
H7 H 0.4878 0.4410 -0.1938 0.036 Uiso 1 1 calc R . .
C8 C 0.4597(3) 0.5491(4) -0.2025(2) 0.0430(17) Uani 1 1 d . . .
H8 H 0.4957 0.5707 -0.2017 0.052 Uiso 1 1 calc R . .
C9 C 0.4124(3) 0.5944(4) -0.2092(2) 0.0404(17) Uani 1 1 d . . .
H9 H 0.4156 0.6470 -0.2140 0.048 Uiso 1 1 calc R . .
C10 C 0.3606(3) 0.5641(4) -0.2091(2) 0.0369(16) Uani 1 1 d . . .
H10 H 0.3281 0.5957 -0.2133 0.044 Uiso 1 1 calc R . .
C11 C 0.3557(3) 0.4864(4) -0.2026(2) 0.0326(15) Uani 1 1 d . . .
H11 H 0.3198 0.4652 -0.2029 0.039 Uiso 1 1 calc R . .
C12 C 0.3051(2) 0.3244(3) -0.2546(2) 0.0260(14) Uani 1 1 d . . .
C13 C 0.2501(2) 0.3013(4) -0.2526(2) 0.0318(15) Uani 1 1 d . . .
H13 H 0.2450 0.2771 -0.2233 0.038 Uiso 1 1 calc R . .
C14 C 0.2039(3) 0.3146(4) -0.2939(2) 0.0396(17) Uani 1 1 d . . .
H14 H 0.1667 0.2994 -0.2930 0.048 Uiso 1 1 calc R . .
C15 C 0.2112(3) 0.3495(4) -0.3366(2) 0.0457(19) Uani 1 1 d . . .
H15 H 0.1790 0.3594 -0.3645 0.055 Uiso 1 1 calc R . .
C16 C 0.2649(3) 0.3702(4) -0.3392(2) 0.0385(16) Uani 1 1 d . . .
H16 H 0.2699 0.3927 -0.3691 0.046 Uiso 1 1 calc R . .
C17 C 0.3111(3) 0.3581(3) -0.2982(2) 0.0315(15) Uani 1 1 d . . .
H17 H 0.3481 0.3732 -0.2999 0.038 Uiso 1 1 calc R . .
C18 C 0.3368(2) 0.1628(3) -0.2077(2) 0.0241(13) Uani 1 1 d . . .
C19 C 0.3208(2) 0.1131(4) -0.1749(2) 0.0320(15) Uani 1 1 d . . .
H19 H 0.3259 0.1268 -0.1405 0.038 Uiso 1 1 calc R . .
C20 C 0.2975(3) 0.0440(4) -0.1921(3) 0.0454(18) Uani 1 1 d . . .
H20 H 0.2857 0.0108 -0.1698 0.054 Uiso 1 1 calc R . .
C21 C 0.2912(3) 0.0228(4) -0.2422(3) 0.0442(18) Uani 1 1 d . . .
H21 H 0.2772 -0.0258 -0.2537 0.053 Uiso 1 1 calc R . .
C22 C 0.3057(3) 0.0736(4) -0.2751(3) 0.0420(17) Uani 1 1 d . . .
H22 H 0.3001 0.0604 -0.3097 0.050 Uiso 1 1 calc R . .
C23 C 0.3278(3) 0.1417(4) -0.2582(2) 0.0337(15) Uani 1 1 d . . .
H23 H 0.3374 0.1759 -0.2813 0.040 Uiso 1 1 calc R . .
C24 C 0.4524(2) 0.1789(3) -0.1172(2) 0.0262(14) Uani 1 1 d . . .
C25 C 0.4578(2) 0.1072(4) -0.1364(2) 0.0322(15) Uani 1 1 d . . .
H25 H 0.4393 0.0964 -0.1708 0.039 Uiso 1 1 calc R . .
C26 C 0.4899(3) 0.0517(4) -0.1059(3) 0.0434(17) Uani 1 1 d . . .
H26 H 0.4926 0.0026 -0.1189 0.052 Uiso 1 1 calc R . .
C27 C 0.5177(3) 0.0694(5) -0.0562(3) 0.052(2) Uani 1 1 d . . .
H27 H 0.5406 0.0323 -0.0352 0.063 Uiso 1 1 calc R . .
C28 C 0.5130(3) 0.1393(4) -0.0367(3) 0.0446(18) Uani 1 1 d . . .
H28 H 0.5320 0.1502 -0.0023 0.054 Uiso 1 1 calc R . .
C29 C 0.4805(2) 0.1938(4) -0.0673(2) 0.0322(15) Uani 1 1 d . . .
H29 H 0.4773 0.2424 -0.0538 0.039 Uiso 1 1 calc R . .
C30 C 0.2913(2) 0.4129(3) -0.08521(18) 0.0187(12) Uani 1 1 d . . .
C31 C 0.3322(2) 0.4167(3) -0.03481(18) 0.0174(12) Uani 1 1 d . . .
C32 C 0.3021(2) 0.4382(3) 0.00091(18) 0.0176(12) Uani 1 1 d . . .
C33 C 0.2421(2) 0.4422(3) -0.02470(19) 0.0220(13) Uani 1 1 d . . .
C34 C 0.2349(2) 0.4234(3) -0.07759(18) 0.0182(12) Uani 1 1 d . . .
C35 C 0.3950(2) 0.4060(3) -0.02514(19) 0.0223(13) Uani 1 1 d . . .
C36 C 0.4227(2) 0.4393(3) -0.0574(2) 0.0249(13) Uani 1 1 d . . .
H36 H 0.4014 0.4674 -0.0858 0.030 Uiso 1 1 calc R . .
C37 C 0.4816(2) 0.4320(3) -0.0485(2) 0.0302(15) Uani 1 1 d . . .
H37 H 0.5003 0.4541 -0.0712 0.036 Uiso 1 1 calc R . .
C38 C 0.5122(2) 0.3931(4) -0.0072(2) 0.0308(15) Uani 1 1 d . . .
H38 H 0.5524 0.3882 -0.0010 0.037 Uiso 1 1 calc R . .
C39 C 0.4852(2) 0.3605(4) 0.0260(2) 0.0349(16) Uani 1 1 d . . .
H39 H 0.5070 0.3340 0.0549 0.042 Uiso 1 1 calc R . .
C40 C 0.4262(2) 0.3664(3) 0.0168(2) 0.0278(14) Uani 1 1 d . . .
H40 H 0.4075 0.3435 0.0392 0.033 Uiso 1 1 calc R . .
C41 C 0.3271(2) 0.4568(3) 0.05488(19) 0.0215(13) Uani 1 1 d . . .
C42 C 0.3716(2) 0.5096(3) 0.0673(2) 0.0286(14) Uani 1 1 d . . .
H42 H 0.3845 0.5327 0.0412 0.034 Uiso 1 1 calc R . .
C43 C 0.3968(2) 0.5281(4) 0.1176(2) 0.0342(16) Uani 1 1 d . . .
H43 H 0.4266 0.5644 0.1259 0.041 Uiso 1 1 calc R . .
C44 C 0.3787(2) 0.4938(3) 0.1554(2) 0.0316(15) Uani 1 1 d . . .
H44 H 0.3968 0.5054 0.1899 0.038 Uiso 1 1 calc R . .
C45 C 0.3345(2) 0.4428(4) 0.14380(19) 0.0299(15) Uani 1 1 d . . .
H45 H 0.3219 0.4200 0.1701 0.036 Uiso 1 1 calc R . .
C46 C 0.3083(2) 0.4242(3) 0.09347(19) 0.0239(13) Uani 1 1 d . . .
H46 H 0.2775 0.3893 0.0856 0.029 Uiso 1 1 calc R . .
C47 C 0.1992(2) 0.4727(3) -0.00065(18) 0.0215(13) Uani 1 1 d . . .
C48 C 0.2005(2) 0.5490(3) 0.0104(2) 0.0286(14) Uani 1 1 d . . .
H48 H 0.2265 0.5809 0.0000 0.034 Uiso 1 1 calc R . .
C49 C 0.1646(3) 0.5786(4) 0.0361(2) 0.0341(15) Uani 1 1 d . . .
H49 H 0.1657 0.6310 0.0431 0.041 Uiso 1 1 calc R . .
C50 C 0.1268(3) 0.5328(4) 0.0520(2) 0.0369(17) Uani 1 1 d . . .
H50 H 0.1025 0.5535 0.0704 0.044 Uiso 1 1 calc R . .
C51 C 0.1247(2) 0.4573(4) 0.0410(2) 0.0298(14) Uani 1 1 d . . .
H51 H 0.0987 0.4256 0.0516 0.036 Uiso 1 1 calc R . .
C52 C 0.1605(2) 0.4272(3) 0.01445(19) 0.0240(13) Uani 1 1 d . . .
H52 H 0.1585 0.3751 0.0065 0.029 Uiso 1 1 calc R . .
C53 C 0.1816(2) 0.4221(3) -0.11987(19) 0.0226(13) Uani 1 1 d . . .
C54 C 0.1415(2) 0.4796(4) -0.1241(2) 0.0310(15) Uani 1 1 d . . .
H54 H 0.1464 0.5167 -0.0983 0.037 Uiso 1 1 calc R . .
C55 C 0.0939(3) 0.4822(4) -0.1665(2) 0.0465(19) Uani 1 1 d . . .
H55 H 0.0667 0.5216 -0.1698 0.056 Uiso 1 1 calc R . .
C56 C 0.0867(3) 0.4284(5) -0.2030(2) 0.055(2) Uani 1 1 d . . .
H56 H 0.0545 0.4306 -0.2318 0.066 Uiso 1 1 calc R . .
C57 C 0.1261(3) 0.3705(5) -0.1984(2) 0.049(2) Uani 1 1 d . . .
H57 H 0.1206 0.3328 -0.2238 0.059 Uiso 1 1 calc R . .
C58 C 0.1731(3) 0.3680(4) -0.1569(2) 0.0351(16) Uani 1 1 d . . .
H58 H 0.2001 0.3283 -0.1539 0.042 Uiso 1 1 calc R . .
Cl3 Cl 0.29370(10) 0.59366(12) -0.08290(8) 0.0715(6) Uani 1 1 d . . .
Cl4 Cl 0.37240(9) 0.71345(15) -0.08719(11) 0.0966(9) Uani 1 1 d . . .
C59 C 0.3010(3) 0.6848(4) -0.1026(3) 0.068(2) Uani 1 1 d . . .
H59A H 0.2792 0.7194 -0.0865 0.081 Uiso 1 1 calc R . .
H59B H 0.2845 0.6881 -0.1397 0.081 Uiso 1 1 calc R . .
Cl5A Cl 0.54783(1) -0.28079(2) -0.14732(1) 0.1001(1) Uani 0.852(3) 1 d PD A 1
Cl6A Cl 0.47803(1) -0.1667(2) -0.12379(2) 0.1278(2) Uani 0.852(3) 1 d PD A 1
Cl5B Cl 0.4933(8) -0.2165(11) -0.1719(6) 0.1001(11) Uani 0.148(3) 1 d PD A 2
Cl6B Cl 0.5184(8) -0.1586(12) -0.0708(8) 0.1278(15) Uani 0.148(3) 1 d PD A 2
C60 C 0.5444(3) -0.2003(4) -0.1141(3) 0.073(3) Uani 1 1 d D . .
H60A H 0.5605 -0.2106 -0.0775 0.087 Uiso 0.852(3) 1 calc PR A 1
H60B H 0.5685 -0.1613 -0.1239 0.087 Uiso 0.852(3) 1 calc PR A 1
H60C H 0.5616 -0.2491 -0.1004 0.087 Uiso 0.148(3) 1 calc PR A 2
H60D H 0.5753 -0.1686 -0.1203 0.087 Uiso 0.148(3) 1 calc PR A 2
Cl7 Cl 0.36439(14) 0.81436(15) 0.11762(10) 0.1043(9) Uani 1 1 d . . .
Cl8 Cl 0.32085(15) 0.71285(19) 0.03759(11) 0.1299(12) Uani 1 1 d . . .
C61 C 0.3789(4) 0.7457(6) 0.0812(4) 0.116(4) Uani 1 1 d . . .
H61A H 0.3973 0.7034 0.1032 0.139 Uiso 1 1 calc R . .
H61B H 0.4066 0.7648 0.0636 0.139 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'
O O 0.0106 0.0060 '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
O2 Rh1 C3 107.89(18) . .
O2 Rh1 C4 142.25(18) . .
C3 Rh1 C4 40.9(2) . .
O2 Rh1 C5 167.83(17) . .
C3 Rh1 C5 66.7(2) . .
C4 Rh1 C5 39.40(19) . .
O2 Rh1 C2 103.02(17) . .
C3 Rh1 C2 39.5(2) . .
C4 Rh1 C2 67.0(2) . .
C5 Rh1 C2 65.7(2) . .
O2 Rh1 Cl1 86.94(10) . .
C3 Rh1 Cl1 138.60(16) . .
C4 Rh1 Cl1 105.85(15) . .
C5 Rh1 Cl1 104.30(15) . .
C2 Rh1 Cl1 169.96(15) . .
O2 Rh1 C1 130.96(17) . .
C3 Rh1 C1 62.3(2) . .
C4 Rh1 C1 62.4(2) . .
C5 Rh1 C1 36.97(19) . .
C2 Rh1 C1 36.95(19) . .
Cl1 Rh1 C1 134.01(14) . .
C34 Rh2 C33 39.83(19) . .
C34 Rh2 C31 66.50(19) . .
C33 Rh2 C31 66.1(2) . .
C34 Rh2 C32 66.28(19) . .
C33 Rh2 C32 39.28(19) . .
C31 Rh2 C32 38.98(18) . .
C34 Rh2 C30 38.94(18) . .
C33 Rh2 C30 65.37(19) . .
C31 Rh2 C30 39.29(18) . .
C32 Rh2 C30 65.07(18) . .
C34 Rh2 Cl2 99.97(14) . .
C33 Rh2 Cl2 105.84(14) . .
C31 Rh2 Cl2 166.16(14) . .
C32 Rh2 Cl2 139.81(14) . .
C30 Rh2 Cl2 127.77(13) . .
C34 Rh2 Cl2 162.21(14) . 7
C33 Rh2 Cl2 122.40(14) . 7
C31 Rh2 Cl2 110.32(14) . 7
C32 Rh2 Cl2 99.84(13) . 7
C30 Rh2 Cl2 146.72(14) . 7
Cl2 Rh2 Cl2 83.44(4) . 7
C34 Rh2 Cl1 110.67(14) . .
C33 Rh2 Cl1 147.51(14) . .
C31 Rh2 Cl1 91.69(14) . .
C32 Rh2 Cl1 129.53(14) . .
C30 Rh2 Cl1 82.35(14) . .
Cl2 Rh2 Cl1 90.55(5) . .
Cl2 Rh2 Cl1 86.63(5) 7 .
Rh1 Cl1 Rh2 108.31(6) . .
Rh2 Cl2 Rh2 96.56(4) . 7
C30 O2 Rh1 122.9(3) . .
O1 C1 C5 126.7(5) . .
O1 C1 C2 128.3(6) . .
C5 C1 C2 104.6(5) . .
O1 C1 Rh1 136.1(4) . .
C5 C1 Rh1 61.1(3) . .
C2 C1 Rh1 61.5(3) . .
C3 C2 C1 107.6(5) . .
C3 C2 C6 127.9(5) . .
C1 C2 C6 124.0(5) . .
C3 C2 Rh1 67.0(3) . .
C1 C2 Rh1 81.6(3) . .
C6 C2 Rh1 123.3(3) . .
C2 C3 C4 108.8(5) . .
C2 C3 C12 126.8(5) . .
C4 C3 C12 124.3(5) . .
C2 C3 Rh1 73.5(3) . .
C4 C3 Rh1 70.5(3) . .
C12 C3 Rh1 124.4(4) . .
C5 C4 C3 106.9(5) . .
C5 C4 C18 127.0(5) . .
C3 C4 C18 125.8(5) . .
C5 C4 Rh1 72.2(3) . .
C3 C4 Rh1 68.6(3) . .
C18 C4 Rh1 128.9(4) . .
C4 C5 C24 127.7(5) . .
C4 C5 C1 108.6(5) . .
C24 C5 C1 122.1(5) . .
C4 C5 Rh1 68.4(3) . .
C24 C5 Rh1 127.5(4) . .
C1 C5 Rh1 81.9(3) . .
C7 C6 C11 118.9(6) . .
C7 C6 C2 120.1(5) . .
C11 C6 C2 121.0(5) . .
C8 C7 C6 120.5(6) . .
C8 C7 H7 119.7 . .
C6 C7 H7 119.7 . .
C9 C8 C7 120.3(6) . .
C9 C8 H8 119.8 . .
C7 C8 H8 119.8 . .
C10 C9 C8 120.3(6) . .
C10 C9 H9 119.8 . .
C8 C9 H9 119.8 . .
C9 C10 C11 119.8(6) . .
C9 C10 H10 120.1 . .
C11 C10 H10 120.1 . .
C6 C11 C10 120.1(6) . .
C6 C11 H11 120.0 . .
C10 C11 H11 120.0 . .
C17 C12 C13 118.9(5) . .
C17 C12 C3 121.5(5) . .
C13 C12 C3 119.5(5) . .
C14 C13 C12 119.0(6) . .
C14 C13 H13 120.5 . .
C12 C13 H13 120.5 . .
C15 C14 C13 120.6(6) . .
C15 C14 H14 119.7 . .
C13 C14 H14 119.7 . .
C16 C15 C14 120.5(6) . .
C16 C15 H15 119.7 . .
C14 C15 H15 119.7 . .
C17 C16 C15 119.4(6) . .
C17 C16 H16 120.3 . .
C15 C16 H16 120.3 . .
C16 C17 C12 121.5(6) . .
C16 C17 H17 119.3 . .
C12 C17 H17 119.3 . .
C19 C18 C23 118.6(6) . .
C19 C18 C4 121.6(5) . .
C23 C18 C4 119.5(5) . .
C20 C19 C18 120.3(6) . .
C20 C19 H19 119.8 . .
C18 C19 H19 119.8 . .
C19 C20 C21 120.1(6) . .
C19 C20 H20 119.9 . .
C21 C20 H20 119.9 . .
C22 C21 C20 119.2(6) . .
C22 C21 H21 120.4 . .
C20 C21 H21 120.4 . .
C23 C22 C21 120.4(6) . .
C23 C22 H22 119.8 . .
C21 C22 H22 119.8 . .
C22 C23 C18 121.3(6) . .
C22 C23 H23 119.3 . .
C18 C23 H23 119.3 . .
C29 C24 C25 118.5(5) . .
C29 C24 C5 120.2(5) . .
C25 C24 C5 121.2(5) . .
C26 C25 C24 121.1(6) . .
C26 C25 H25 119.4 . .
C24 C25 H25 119.4 . .
C27 C26 C25 118.4(7) . .
C27 C26 H26 120.8 . .
C25 C26 H26 120.8 . .
C28 C27 C26 121.5(7) . .
C28 C27 H27 119.3 . .
C26 C27 H27 119.3 . .
C27 C28 C29 119.5(6) . .
C27 C28 H28 120.3 . .
C29 C28 H28 120.3 . .
C24 C29 C28 121.1(6) . .
C24 C29 H29 119.5 . .
C28 C29 H29 119.5 . .
O2 C30 C34 125.5(5) . .
O2 C30 C31 128.0(5) . .
C34 C30 C31 106.3(4) . .
O2 C30 Rh2 126.6(4) . .
C34 C30 Rh2 67.1(3) . .
C31 C30 Rh2 67.1(3) . .
C32 C31 C30 108.5(4) . .
C32 C31 C35 127.3(4) . .
C30 C31 C35 124.1(4) . .
C32 C31 Rh2 70.8(3) . .
C30 C31 Rh2 73.7(3) . .
C35 C31 Rh2 125.6(4) . .
C31 C32 C33 108.6(4) . .
C31 C32 C41 126.9(4) . .
C33 C32 C41 124.4(4) . .
C31 C32 Rh2 70.3(3) . .
C33 C32 Rh2 70.0(3) . .
C41 C32 Rh2 127.5(4) . .
C32 C33 C34 107.9(4) . .
C32 C33 C47 123.0(4) . .
C34 C33 C47 128.4(5) . .
C32 C33 Rh2 70.7(3) . .
C34 C33 Rh2 70.0(3) . .
C47 C33 Rh2 132.4(4) . .
C33 C34 C30 108.2(4) . .
C33 C34 C53 128.8(5) . .
C30 C34 C53 122.8(4) . .
C33 C34 Rh2 70.1(3) . .
C30 C34 Rh2 74.0(3) . .
C53 C34 Rh2 126.5(4) . .
C36 C35 C40 119.7(5) . .
C36 C35 C31 119.1(5) . .
C40 C35 C31 121.1(5) . .
C35 C36 C37 120.4(5) . .
C35 C36 H36 119.8 . .
C37 C36 H36 119.8 . .
C38 C37 C36 119.7(5) . .
C38 C37 H37 120.2 . .
C36 C37 H37 120.2 . .
C37 C38 C39 120.6(5) . .
C37 C38 H38 119.7 . .
C39 C38 H38 119.7 . .
C38 C39 C40 120.0(5) . .
C38 C39 H39 120.0 . .
C40 C39 H39 120.0 . .
C35 C40 C39 119.6(5) . .
C35 C40 H40 120.2 . .
C39 C40 H40 120.2 . .
C46 C41 C42 119.1(5) . .
C46 C41 C32 122.7(5) . .
C42 C41 C32 118.2(5) . .
C43 C42 C41 120.1(5) . .
C43 C42 H42 119.9 . .
C41 C42 H42 119.9 . .
C44 C43 C42 120.0(6) . .
C44 C43 H43 120.0 . .
C42 C43 H43 120.0 . .
C45 C44 C43 120.5(5) . .
C45 C44 H44 119.8 . .
C43 C44 H44 119.8 . .
C44 C45 C46 120.2(5) . .
C44 C45 H45 119.9 . .
C46 C45 H45 119.9 . .
C41 C46 C45 120.0(5) . .
C41 C46 H46 120.0 . .
C45 C46 H46 120.0 . .
C48 C47 C52 118.7(5) . .
C48 C47 C33 118.6(5) . .
C52 C47 C33 122.5(5) . .
C49 C48 C47 120.7(6) . .
C49 C48 H48 119.7 . .
C47 C48 H48 119.7 . .
C48 C49 C50 120.6(6) . .
C48 C49 H49 119.7 . .
C50 C49 H49 119.7 . .
C51 C50 C49 119.5(6) . .
C51 C50 H50 120.3 . .
C49 C50 H50 120.3 . .
C50 C51 C52 120.1(6) . .
C50 C51 H51 119.9 . .
C52 C51 H51 119.9 . .
C51 C52 C47 120.5(6) . .
C51 C52 H52 119.8 . .
C47 C52 H52 119.8 . .
C58 C53 C54 119.4(5) . .
C58 C53 C34 120.8(5) . .
C54 C53 C34 119.6(5) . .
C53 C54 C55 119.5(6) . .
C53 C54 H54 120.2 . .
C55 C54 H54 120.2 . .
C56 C55 C54 120.0(6) . .
C56 C55 H55 120.0 . .
C54 C55 H55 120.0 . .
C55 C56 C57 120.5(6) . .
C55 C56 H56 119.8 . .
C57 C56 H56 119.8 . .
C58 C57 C56 119.7(6) . .
C58 C57 H57 120.1 . .
C56 C57 H57 120.1 . .
C53 C58 C57 120.8(6) . .
C53 C58 H58 119.6 . .
C57 C58 H58 119.6 . .
Cl3 C59 Cl4 112.1(4) . .
Cl3 C59 H59A 109.2 . .
Cl4 C59 H59A 109.2 . .
Cl3 C59 H59B 109.2 . .
Cl4 C59 H59B 109.2 . .
H59A C59 H59B 107.9 . .
Cl6B C60 Cl6A 54.3(7) . .
Cl6B C60 Cl5A 146.7(9) . .
Cl6A C60 Cl5A 113.5(5) . .
Cl6B C60 Cl5B 114.0(9) . .
Cl6A C60 Cl5B 60.0(7) . .
Cl5A C60 Cl5B 60.4(7) . .
Cl6B C60 H60A 58.7 . .
Cl6A C60 H60A 108.9 . .
Cl5A C60 H60A 108.9 . .
Cl5B C60 H60A 151.0 . .
Cl6B C60 H60B 104.4 . .
Cl6A C60 H60B 108.9 . .
Cl5A C60 H60B 108.9 . .
Cl5B C60 H60B 101.3 . .
H60A C60 H60B 107.7 . .
Cl6B C60 H60C 108.8 . .
Cl6A C60 H60C 131.4 . .
Cl5A C60 H60C 52.7 . .
Cl5B C60 H60C 108.8 . .
Cl6B C60 H60D 108.8 . .
Cl6A C60 H60D 120.9 . .
Cl5A C60 H60D 103.7 . .
Cl5B C60 H60D 108.8 . .
H60C C60 H60D 107.7 . .
Cl7 C61 Cl8 113.8(5) . .
Cl7 C61 H61A 108.8 . .
Cl8 C61 H61A 108.8 . .
Cl7 C61 H61B 108.8 . .
Cl8 C61 H61B 108.8 . .
H61A C61 H61B 107.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 O2 2.080(4) .
Rh1 C3 2.082(5) .
Rh1 C4 2.109(5) .
Rh1 C5 2.160(5) .
Rh1 C2 2.169(5) .
Rh1 Cl1 2.3769(14) .
Rh1 C1 2.442(5) .
Rh2 C34 2.132(5) .
Rh2 C33 2.133(6) .
Rh2 C31 2.135(5) .
Rh2 C32 2.142(5) .
Rh2 C30 2.225(5) .
Rh2 Cl2 2.4210(13) .
Rh2 Cl2 2.4565(13) 7
Rh2 Cl1 2.5089(15) .
Cl2 Rh2 2.4565(13) 7
O1 C1 1.227(6) .
O2 C30 1.275(5) .
C1 C5 1.484(8) .
C1 C2 1.484(8) .
C2 C3 1.439(8) .
C2 C6 1.485(8) .
C3 C4 1.465(7) .
C3 C12 1.473(7) .
C4 C5 1.440(7) .
C4 C18 1.465(7) .
C5 C24 1.463(7) .
C6 C7 1.384(8) .
C6 C11 1.397(8) .
C7 C8 1.383(9) .
C7 H7 0.9500 .
C8 C9 1.376(9) .
C8 H8 0.9500 .
C9 C10 1.371(8) .
C9 H9 0.9500 .
C10 C11 1.400(8) .
C10 H10 0.9500 .
C11 H11 0.9500 .
C12 C17 1.382(7) .
C12 C13 1.415(8) .
C13 C14 1.382(8) .
C13 H13 0.9500 .
C14 C15 1.380(9) .
C14 H14 0.9500 .
C15 C16 1.376(9) .
C15 H15 0.9500 .
C16 C17 1.374(8) .
C16 H16 0.9500 .
C17 H17 0.9500 .
C18 C19 1.389(8) .
C18 C23 1.394(7) .
C19 C20 1.380(8) .
C19 H19 0.9500 .
C20 C21 1.392(9) .
C20 H20 0.9500 .
C21 C22 1.389(9) .
C21 H21 0.9500 .
C22 C23 1.353(8) .
C22 H22 0.9500 .
C23 H23 0.9500 .
C24 C29 1.379(8) .
C24 C25 1.398(8) .
C25 C26 1.388(8) .
C25 H25 0.9500 .
C26 C27 1.384(9) .
C26 H26 0.9500 .
C27 C28 1.369(10) .
C27 H27 0.9500 .
C28 C29 1.383(8) .
C28 H28 0.9500 .
C29 H29 0.9500 .
C30 C34 1.455(7) .
C30 C31 1.468(7) .
C31 C32 1.427(7) .
C31 C35 1.487(7) .
C32 C33 1.437(7) .
C32 C41 1.477(7) .
C33 C34 1.453(7) .
C33 C47 1.481(7) .
C34 C53 1.486(7) .
C35 C36 1.384(7) .
C35 C40 1.387(7) .
C36 C37 1.390(7) .
C36 H36 0.9500 .
C37 C38 1.365(8) .
C37 H37 0.9500 .
C38 C39 1.385(8) .
C38 H38 0.9500 .
C39 C40 1.391(7) .
C39 H39 0.9500 .
C40 H40 0.9500 .
C41 C46 1.389(7) .
C41 C42 1.401(8) .
C42 C43 1.390(7) .
C42 H42 0.9500 .
C43 C44 1.376(8) .
C43 H43 0.9500 .
C44 C45 1.374(8) .
C44 H44 0.9500 .
C45 C46 1.394(7) .
C45 H45 0.9500 .
C46 H46 0.9500 .
C47 C48 1.386(8) .
C47 C52 1.387(7) .
C48 C49 1.367(8) .
C48 H48 0.9500 .
C49 C50 1.383(8) .
C49 H49 0.9500 .
C50 C51 1.374(8) .
C50 H50 0.9500 .
C51 C52 1.384(7) .
C51 H51 0.9500 .
C52 H52 0.9500 .
C53 C58 1.374(8) .
C53 C54 1.394(8) .
C54 C55 1.401(8) .
C54 H54 0.9500 .
C55 C56 1.361(10) .
C55 H55 0.9500 .
C56 C57 1.387(10) .
C56 H56 0.9500 .
C57 C58 1.378(8) .
C57 H57 0.9500 .
C58 H58 0.9500 .
Cl3 C59 1.732(7) .
Cl4 C59 1.747(8) .
C59 H59A 0.9900 .
C59 H59B 0.9900 .
Cl5A C60 1.709(8) .
Cl6A C60 1.673(8) .
Cl5B C60 1.752(14) .
Cl6B C60 1.665(16) .
C60 H60A 0.9900 .
C60 H60B 0.9900 .
C60 H60C 0.9900 .
C60 H60D 0.9900 .
Cl7 C61 1.676(10) .
Cl8 C61 1.686(10) .
C61 H61A 0.9900 .
C61 H61B 0.9900 .
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
O2 Rh1 Cl1 Rh2 -18.97(11) . .
C3 Rh1 Cl1 Rh2 -132.8(2) . .
C4 Rh1 Cl1 Rh2 -162.87(16) . .
C5 Rh1 Cl1 Rh2 156.30(14) . .
C2 Rh1 Cl1 Rh2 153.8(9) . .
C1 Rh1 Cl1 Rh2 130.46(19) . .
C34 Rh2 Cl1 Rh1 34.19(16) . .
C33 Rh2 Cl1 Rh1 13.5(3) . .
C31 Rh2 Cl1 Rh1 -31.28(14) . .
C32 Rh2 Cl1 Rh1 -41.56(18) . .
C30 Rh2 Cl1 Rh1 6.98(14) . .
Cl2 Rh2 Cl1 Rh1 135.06(6) . .
Cl2 Rh2 Cl1 Rh1 -141.54(6) 7 .
C34 Rh2 Cl2 Rh2 -162.36(14) . 7
C33 Rh2 Cl2 Rh2 -121.87(14) . 7
C31 Rh2 Cl2 Rh2 -174.1(6) . 7
C32 Rh2 Cl2 Rh2 -97.5(2) . 7
C30 Rh2 Cl2 Rh2 167.28(18) . 7
Cl2 Rh2 Cl2 Rh2 0.0 7 7
Cl1 Rh2 Cl2 Rh2 86.54(5) . 7
C3 Rh1 O2 C30 178.2(4) . .
C4 Rh1 O2 C30 149.8(4) . .
C5 Rh1 O2 C30 -120.1(8) . .
C2 Rh1 O2 C30 -141.1(4) . .
Cl1 Rh1 O2 C30 37.6(4) . .
C1 Rh1 O2 C30 -113.4(4) . .
O2 Rh1 C1 O1 68.0(7) . .
C3 Rh1 C1 O1 158.2(7) . .
C4 Rh1 C1 O1 -155.3(7) . .
C5 Rh1 C1 O1 -114.3(7) . .
C2 Rh1 C1 O1 116.9(8) . .
Cl1 Rh1 C1 O1 -69.7(7) . .
O2 Rh1 C1 C5 -177.7(3) . .
C3 Rh1 C1 C5 -87.5(3) . .
C4 Rh1 C1 C5 -41.0(3) . .
C2 Rh1 C1 C5 -128.8(5) . .
Cl1 Rh1 C1 C5 44.6(4) . .
O2 Rh1 C1 C2 -48.9(4) . .
C3 Rh1 C1 C2 41.3(3) . .
C4 Rh1 C1 C2 87.8(4) . .
C5 Rh1 C1 C2 128.8(5) . .
Cl1 Rh1 C1 C2 173.4(3) . .
O1 C1 C2 C3 169.5(5) . .
C5 C1 C2 C3 -17.7(5) . .
Rh1 C1 C2 C3 -62.5(3) . .
O1 C1 C2 C6 -3.3(8) . .
C5 C1 C2 C6 169.5(4) . .
Rh1 C1 C2 C6 124.7(5) . .
O1 C1 C2 Rh1 -128.0(5) . .
C5 C1 C2 Rh1 44.8(3) . .
O2 Rh1 C2 C3 -102.4(3) . .
C4 Rh1 C2 C3 39.2(3) . .
C5 Rh1 C2 C3 82.3(3) . .
Cl1 Rh1 C2 C3 84.9(9) . .
C1 Rh1 C2 C3 113.3(5) . .
O2 Rh1 C2 C1 144.3(3) . .
C3 Rh1 C2 C1 -113.3(5) . .
C4 Rh1 C2 C1 -74.1(3) . .
C5 Rh1 C2 C1 -31.0(3) . .
Cl1 Rh1 C2 C1 -28.3(11) . .
O2 Rh1 C2 C6 18.9(5) . .
C3 Rh1 C2 C6 121.4(6) . .
C4 Rh1 C2 C6 160.5(5) . .
C5 Rh1 C2 C6 -156.3(5) . .
Cl1 Rh1 C2 C6 -153.7(6) . .
C1 Rh1 C2 C6 -125.4(6) . .
C1 C2 C3 C4 10.3(5) . .
C6 C2 C3 C4 -177.2(5) . .
Rh1 C2 C3 C4 -62.1(3) . .
C1 C2 C3 C12 -166.6(5) . .
C6 C2 C3 C12 5.8(8) . .
Rh1 C2 C3 C12 120.9(5) . .
C1 C2 C3 Rh1 72.4(3) . .
C6 C2 C3 Rh1 -115.1(5) . .
O2 Rh1 C3 C2 88.9(3) . .
C4 Rh1 C3 C2 -117.5(5) . .
C5 Rh1 C3 C2 -79.4(3) . .
Cl1 Rh1 C3 C2 -164.8(2) . .
C1 Rh1 C3 C2 -38.6(3) . .
O2 Rh1 C3 C4 -153.7(3) . .
C5 Rh1 C3 C4 38.0(3) . .
C2 Rh1 C3 C4 117.5(5) . .
Cl1 Rh1 C3 C4 -47.3(4) . .
C1 Rh1 C3 C4 78.9(3) . .
O2 Rh1 C3 C12 -34.8(5) . .
C4 Rh1 C3 C12 118.9(6) . .
C5 Rh1 C3 C12 156.9(5) . .
C2 Rh1 C3 C12 -123.7(6) . .
Cl1 Rh1 C3 C12 71.6(6) . .
C1 Rh1 C3 C12 -162.3(6) . .
C2 C3 C4 C5 1.5(5) . .
C12 C3 C4 C5 178.6(5) . .
Rh1 C3 C4 C5 -62.5(3) . .
C2 C3 C4 C18 -172.7(5) . .
C12 C3 C4 C18 4.4(8) . .
Rh1 C3 C4 C18 123.3(5) . .
C2 C3 C4 Rh1 64.0(3) . .
C12 C3 C4 Rh1 -118.9(5) . .
O2 Rh1 C4 C5 160.6(3) . .
C3 Rh1 C4 C5 117.0(4) . .
C2 Rh1 C4 C5 79.2(3) . .
Cl1 Rh1 C4 C5 -93.4(3) . .
C1 Rh1 C4 C5 38.4(3) . .
O2 Rh1 C4 C3 43.6(4) . .
C5 Rh1 C4 C3 -117.0(4) . .
C2 Rh1 C4 C3 -37.8(3) . .
Cl1 Rh1 C4 C3 149.6(3) . .
C1 Rh1 C4 C3 -78.6(3) . .
O2 Rh1 C4 C18 -75.8(6) . .
C3 Rh1 C4 C18 -119.4(6) . .
C5 Rh1 C4 C18 123.6(6) . .
C2 Rh1 C4 C18 -157.2(6) . .
Cl1 Rh1 C4 C18 30.2(5) . .
C1 Rh1 C4 C18 162.0(6) . .
C3 C4 C5 C24 -178.5(5) . .
C18 C4 C5 C24 -4.3(8) . .
Rh1 C4 C5 C24 121.4(5) . .
C3 C4 C5 C1 -12.9(5) . .
C18 C4 C5 C1 161.3(5) . .
Rh1 C4 C5 C1 -73.0(4) . .
C3 C4 C5 Rh1 60.1(3) . .
C18 C4 C5 Rh1 -125.8(5) . .
O1 C1 C5 C4 -168.2(5) . .
C2 C1 C5 C4 18.8(5) . .
Rh1 C1 C5 C4 63.9(3) . .
O1 C1 C5 C24 -1.7(8) . .
C2 C1 C5 C24 -174.6(5) . .
Rh1 C1 C5 C24 -129.6(5) . .
O1 C1 C5 Rh1 127.9(5) . .
C2 C1 C5 Rh1 -45.0(3) . .
O2 Rh1 C5 C4 -105.3(8) . .
C3 Rh1 C5 C4 -39.5(3) . .
C2 Rh1 C5 C4 -82.8(3) . .
Cl1 Rh1 C5 C4 97.7(3) . .
C1 Rh1 C5 C4 -113.7(4) . .
O2 Rh1 C5 C24 133.0(7) . .
C3 Rh1 C5 C24 -161.1(5) . .
C4 Rh1 C5 C24 -121.6(6) . .
C2 Rh1 C5 C24 155.6(5) . .
Cl1 Rh1 C5 C24 -24.0(5) . .
C1 Rh1 C5 C24 124.6(6) . .
O2 Rh1 C5 C1 8.4(9) . .
C3 Rh1 C5 C1 74.3(3) . .
C4 Rh1 C5 C1 113.7(4) . .
C2 Rh1 C5 C1 30.9(3) . .
Cl1 Rh1 C5 C1 -148.6(3) . .
C3 C2 C6 C7 -138.9(6) . .
C1 C2 C6 C7 32.4(7) . .
Rh1 C2 C6 C7 135.8(4) . .
C3 C2 C6 C11 41.2(8) . .
C1 C2 C6 C11 -147.5(5) . .
Rh1 C2 C6 C11 -44.2(7) . .
C11 C6 C7 C8 2.9(8) . .
C2 C6 C7 C8 -177.0(5) . .
C6 C7 C8 C9 -2.9(9) . .
C7 C8 C9 C10 1.7(10) . .
C8 C9 C10 C11 -0.8(9) . .
C7 C6 C11 C10 -1.9(8) . .
C2 C6 C11 C10 178.0(5) . .
C9 C10 C11 C6 0.9(9) . .
C2 C3 C12 C17 52.0(8) . .
C4 C3 C12 C17 -124.6(6) . .
Rh1 C3 C12 C17 146.7(5) . .
C2 C3 C12 C13 -132.8(6) . .
C4 C3 C12 C13 50.7(8) . .
Rh1 C3 C12 C13 -38.1(7) . .
C17 C12 C13 C14 -1.4(9) . .
C3 C12 C13 C14 -176.7(5) . .
C12 C13 C14 C15 0.2(9) . .
C13 C14 C15 C16 1.6(10) . .
C14 C15 C16 C17 -2.2(10) . .
C15 C16 C17 C12 1.0(10) . .
C13 C12 C17 C16 0.8(9) . .
C3 C12 C17 C16 176.0(6) . .
C5 C4 C18 C19 53.6(8) . .
C3 C4 C18 C19 -133.3(6) . .
Rh1 C4 C18 C19 -43.2(8) . .
C5 C4 C18 C23 -119.4(6) . .
C3 C4 C18 C23 53.7(8) . .
Rh1 C4 C18 C23 143.9(5) . .
C23 C18 C19 C20 1.1(9) . .
C4 C18 C19 C20 -171.9(5) . .
C18 C19 C20 C21 1.6(9) . .
C19 C20 C21 C22 -3.5(10) . .
C20 C21 C22 C23 2.6(10) . .
C21 C22 C23 C18 0.2(9) . .
C19 C18 C23 C22 -2.1(9) . .
C4 C18 C23 C22 171.1(5) . .
C4 C5 C24 C29 -144.1(6) . .
C1 C5 C24 C29 52.0(7) . .
Rh1 C5 C24 C29 -53.8(7) . .
C4 C5 C24 C25 39.9(8) . .
C1 C5 C24 C25 -123.9(6) . .
Rh1 C5 C24 C25 130.3(5) . .
C29 C24 C25 C26 1.0(8) . .
C5 C24 C25 C26 177.0(5) . .
C24 C25 C26 C27 -1.6(9) . .
C25 C26 C27 C28 1.6(10) . .
C26 C27 C28 C29 -0.9(10) . .
C25 C24 C29 C28 -0.3(9) . .
C5 C24 C29 C28 -176.3(5) . .
C27 C28 C29 C24 0.2(10) . .
Rh1 O2 C30 C34 -130.3(5) . .
Rh1 O2 C30 C31 43.8(7) . .
Rh1 O2 C30 Rh2 -44.1(5) . .
C34 Rh2 C30 O2 -118.1(6) . .
C33 Rh2 C30 O2 -157.1(5) . .
C31 Rh2 C30 O2 121.2(6) . .
C32 Rh2 C30 O2 159.4(5) . .
Cl2 Rh2 C30 O2 -65.7(5) . .
Cl2 Rh2 C30 O2 90.8(5) 7 .
Cl1 Rh2 C30 O2 19.0(4) . .
C33 Rh2 C30 C34 -39.0(3) . .
C31 Rh2 C30 C34 -120.7(4) . .
C32 Rh2 C30 C34 -82.5(3) . .
Cl2 Rh2 C30 C34 52.4(3) . .
Cl2 Rh2 C30 C34 -151.1(3) 7 .
Cl1 Rh2 C30 C34 137.1(3) . .
C34 Rh2 C30 C31 120.7(4) . .
C33 Rh2 C30 C31 81.7(3) . .
C32 Rh2 C30 C31 38.2(3) . .
Cl2 Rh2 C30 C31 173.1(2) . .
Cl2 Rh2 C30 C31 -30.4(4) 7 .
Cl1 Rh2 C30 C31 -102.2(3) . .
O2 C30 C31 C32 178.0(5) . .
C34 C30 C31 C32 -7.0(6) . .
Rh2 C30 C31 C32 -62.6(4) . .
O2 C30 C31 C35 2.9(9) . .
C34 C30 C31 C35 177.8(5) . .
Rh2 C30 C31 C35 122.3(5) . .
O2 C30 C31 Rh2 -119.4(6) . .
C34 C30 C31 Rh2 55.6(4) . .
C34 Rh2 C31 C32 80.8(3) . .
C33 Rh2 C31 C32 37.1(3) . .
C30 Rh2 C31 C32 116.9(4) . .
Cl2 Rh2 C31 C32 93.4(6) . .
Cl2 Rh2 C31 C32 -80.3(3) 7 .
Cl1 Rh2 C31 C32 -167.4(3) . .
C34 Rh2 C31 C30 -36.1(3) . .
C33 Rh2 C31 C30 -79.8(3) . .
C32 Rh2 C31 C30 -116.9(4) . .
Cl2 Rh2 C31 C30 -23.4(8) . .
Cl2 Rh2 C31 C30 162.8(3) 7 .
Cl1 Rh2 C31 C30 75.7(3) . .
C34 Rh2 C31 C35 -156.6(5) . .
C33 Rh2 C31 C35 159.7(5) . .
C32 Rh2 C31 C35 122.6(5) . .
C30 Rh2 C31 C35 -120.5(5) . .
Cl2 Rh2 C31 C35 -144.0(4) . .
Cl2 Rh2 C31 C35 42.3(4) 7 .
Cl1 Rh2 C31 C35 -44.8(4) . .
C30 C31 C32 C33 4.7(6) . .
C35 C31 C32 C33 179.7(5) . .
Rh2 C31 C32 C33 -59.7(4) . .
C30 C31 C32 C41 -172.8(5) . .
C35 C31 C32 C41 2.1(9) . .
Rh2 C31 C32 C41 122.7(5) . .
C30 C31 C32 Rh2 64.5(4) . .
C35 C31 C32 Rh2 -120.6(5) . .
C34 Rh2 C32 C31 -81.4(3) . .
C33 Rh2 C32 C31 -119.5(4) . .
C30 Rh2 C32 C31 -38.5(3) . .
Cl2 Rh2 C32 C31 -158.3(2) . .
Cl2 Rh2 C32 C31 110.2(3) 7 .
Cl1 Rh2 C32 C31 16.5(3) . .
C34 Rh2 C32 C33 38.0(3) . .
C31 Rh2 C32 C33 119.5(4) . .
C30 Rh2 C32 C33 80.9(3) . .
Cl2 Rh2 C32 C33 -38.8(4) . .
Cl2 Rh2 C32 C33 -130.3(3) 7 .
Cl1 Rh2 C32 C33 135.9(2) . .
C34 Rh2 C32 C41 156.7(5) . .
C33 Rh2 C32 C41 118.6(5) . .
C31 Rh2 C32 C41 -121.9(6) . .
C30 Rh2 C32 C41 -160.4(5) . .
Cl2 Rh2 C32 C41 79.8(5) . .
Cl2 Rh2 C32 C41 -11.7(4) 7 .
Cl1 Rh2 C32 C41 -105.4(4) . .
C31 C32 C33 C34 -0.6(6) . .
C41 C32 C33 C34 177.1(5) . .
Rh2 C32 C33 C34 -60.4(4) . .
C31 C32 C33 C47 -171.5(5) . .
C41 C32 C33 C47 6.1(8) . .
Rh2 C32 C33 C47 128.6(5) . .
C31 C32 C33 Rh2 59.9(4) . .
C41 C32 C33 Rh2 -122.5(5) . .
C34 Rh2 C33 C32 -118.3(4) . .
C31 Rh2 C33 C32 -36.8(3) . .
C30 Rh2 C33 C32 -80.1(3) . .
Cl2 Rh2 C33 C32 155.1(2) . .
Cl2 Rh2 C33 C32 62.9(3) 7 .
Cl1 Rh2 C33 C32 -87.2(3) . .
C31 Rh2 C33 C34 81.5(3) . .
C32 Rh2 C33 C34 118.3(4) . .
C30 Rh2 C33 C34 38.2(3) . .
Cl2 Rh2 C33 C34 -86.6(3) . .
Cl2 Rh2 C33 C34 -178.9(2) 7 .
Cl1 Rh2 C33 C34 31.0(4) . .
C34 Rh2 C33 C47 124.3(6) . .
C31 Rh2 C33 C47 -154.2(5) . .
C32 Rh2 C33 C47 -117.4(6) . .
C30 Rh2 C33 C47 162.5(6) . .
Cl2 Rh2 C33 C47 37.7(5) . .
Cl2 Rh2 C33 C47 -54.6(5) 7 .
Cl1 Rh2 C33 C47 155.4(3) . .
C32 C33 C34 C30 -3.9(6) . .
C47 C33 C34 C30 166.5(5) . .
Rh2 C33 C34 C30 -64.7(4) . .
C32 C33 C34 C53 -177.7(5) . .
C47 C33 C34 C53 -7.4(9) . .
Rh2 C33 C34 C53 121.4(6) . .
C32 C33 C34 Rh2 60.9(4) . .
C47 C33 C34 Rh2 -128.8(6) . .
O2 C30 C34 C33 -178.2(5) . .
C31 C30 C34 C33 6.6(6) . .
Rh2 C30 C34 C33 62.2(3) . .
O2 C30 C34 C53 -3.9(9) . .
C31 C30 C34 C53 -179.1(5) . .
Rh2 C30 C34 C53 -123.5(5) . .
O2 C30 C34 Rh2 119.6(5) . .
C31 C30 C34 Rh2 -55.6(4) . .
C31 Rh2 C34 C33 -80.2(3) . .
C32 Rh2 C34 C33 -37.5(3) . .
C30 Rh2 C34 C33 -116.6(4) . .
Cl2 Rh2 C34 C33 102.8(3) . .
Cl2 Rh2 C34 C33 3.2(6) 7 .
Cl1 Rh2 C34 C33 -162.8(3) . .
C33 Rh2 C34 C30 116.6(4) . .
C31 Rh2 C34 C30 36.4(3) . .
C32 Rh2 C34 C30 79.1(3) . .
Cl2 Rh2 C34 C30 -140.5(3) . .
Cl2 Rh2 C34 C30 119.8(4) 7 .
Cl1 Rh2 C34 C30 -46.1(3) . .
C33 Rh2 C34 C53 -124.1(6) . .
C31 Rh2 C34 C53 155.7(5) . .
C32 Rh2 C34 C53 -161.6(5) . .
C30 Rh2 C34 C53 119.3(6) . .
Cl2 Rh2 C34 C53 -21.3(4) . .
Cl2 Rh2 C34 C53 -120.9(5) 7 .
Cl1 Rh2 C34 C53 73.1(4) . .
C32 C31 C35 C36 -131.6(6) . .
C30 C31 C35 C36 42.6(8) . .
Rh2 C31 C35 C36 136.4(5) . .
C32 C31 C35 C40 45.3(8) . .
C30 C31 C35 C40 -140.5(6) . .
Rh2 C31 C35 C40 -46.7(7) . .
C40 C35 C36 C37 1.4(8) . .
C31 C35 C36 C37 178.3(5) . .
C35 C36 C37 C38 -1.4(9) . .
C36 C37 C38 C39 0.3(9) . .
C37 C38 C39 C40 0.9(9) . .
C36 C35 C40 C39 -0.2(9) . .
C31 C35 C40 C39 -177.1(5) . .
C38 C39 C40 C35 -0.9(9) . .
C31 C32 C41 C46 -129.2(6) . .
C33 C32 C41 C46 53.6(8) . .
Rh2 C32 C41 C46 -36.7(7) . .
C31 C32 C41 C42 50.8(8) . .
C33 C32 C41 C42 -126.4(6) . .
Rh2 C32 C41 C42 143.4(4) . .
C46 C41 C42 C43 0.8(8) . .
C32 C41 C42 C43 -179.3(5) . .
C41 C42 C43 C44 1.0(9) . .
C42 C43 C44 C45 -1.9(9) . .
C43 C44 C45 C46 1.1(9) . .
C42 C41 C46 C45 -1.6(8) . .
C32 C41 C46 C45 178.5(5) . .
C44 C45 C46 C41 0.6(8) . .
C32 C33 C47 C48 67.8(7) . .
C34 C33 C47 C48 -101.3(7) . .
Rh2 C33 C47 C48 161.1(4) . .
C32 C33 C47 C52 -107.5(6) . .
C34 C33 C47 C52 83.4(7) . .
Rh2 C33 C47 C52 -14.2(8) . .
C52 C47 C48 C49 0.6(8) . .
C33 C47 C48 C49 -174.9(5) . .
C47 C48 C49 C50 0.7(9) . .
C48 C49 C50 C51 -1.2(9) . .
C49 C50 C51 C52 0.4(8) . .
C50 C51 C52 C47 0.8(8) . .
C48 C47 C52 C51 -1.3(8) . .
C33 C47 C52 C51 173.9(5) . .
C33 C34 C53 C58 -142.7(6) . .
C30 C34 C53 C58 44.3(8) . .
Rh2 C34 C53 C58 -49.7(7) . .
C33 C34 C53 C54 42.0(8) . .
C30 C34 C53 C54 -131.1(6) . .
Rh2 C34 C53 C54 135.0(5) . .
C58 C53 C54 C55 -1.5(9) . .
C34 C53 C54 C55 173.9(5) . .
C53 C54 C55 C56 0.8(9) . .
C54 C55 C56 C57 0.3(10) . .
C55 C56 C57 C58 -0.8(11) . .
C54 C53 C58 C57 1.0(9) . .
C34 C53 C58 C57 -174.3(6) . .
C56 C57 C58 C53 0.1(10) . .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.599 0.052 0.190 12 1 ' '
2 0.401 0.052 0.310 12 2 ' '
3 0.500 0.215 0.750 107 33 ' '
4 1.000 0.285 0.250 107 34 ' '
5 0.500 0.203 0.250 18 5 ' '
6 0.850 0.202 0.709 12 2 ' '
7 0.150 0.202 0.791 12 2 ' '
8 0.000 0.297 0.750 18 5 ' '
9 0.350 0.297 0.209 12 1 ' '
10 0.650 0.298 0.291 12 2 ' '
11 0.099 0.448 0.690 12 1 ' '
12 0.901 0.448 0.810 12 1 ' '
13 0.099 0.552 0.190 12 1 ' '
14 0.901 0.552 0.310 12 2 ' '
15 0.000 0.715 0.750 107 33 ' '
16 0.500 0.785 0.250 107 34 ' '
17 0.000 0.703 0.250 18 5 ' '
18 0.350 0.702 0.709 12 2 ' '
19 0.650 0.702 0.791 12 2 ' '
20 0.500 0.797 0.750 18 5 ' '
21 0.850 0.797 0.209 12 1 ' '
22 0.150 0.798 0.291 12 2 ' '
23 0.599 0.948 0.690 12 1 ' '
24 0.401 0.948 0.810 12 1 ' '
