#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/78/1517892.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_1517892
loop_
_publ_author_name
'Meißner, Antje'
'Alberico, Elisabetta'
'Drexler, Hans-Joachim'
'Baumann, Wolfgang'
'Heller, Detlef'
_publ_section_title
;
 Rhodium diphosphine complexes: a case study for catalyst activation and
 deactivation
;
_journal_issue                   10
_journal_name_full               'Catal. Sci. Technol.'
_journal_page_first              3409
_journal_paper_doi               10.1039/C4CY00497C
_journal_volume                  4
_journal_year                    2014
_chemical_formula_sum            'C78 H64 Cl2 O2 P4 Rh2'
_chemical_formula_weight         1433.89
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 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                 114.8610(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   29.9133(15)
_cell_length_b                   18.7802(9)
_cell_length_c                   19.2461(10)
_cell_measurement_reflns_used    9842
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.59
_cell_measurement_theta_min      2.17
_cell_volume                     9810.1(9)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2012)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0547
_diffrn_reflns_av_sigmaI/netI    0.0347
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            81146
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.32
_exptl_absorpt_coefficient_mu    0.488
_exptl_absorpt_correction_T_max  0.8901
_exptl_absorpt_correction_T_min  0.8044
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
'SADABS (Bruker, 2008)'
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    0.971
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'part of block'
_exptl_crystal_F_000             2928
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_platon_squeeze_details
;
;
_refine_diff_density_max         1.061
_refine_diff_density_min         -0.618
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     412
_refine_ls_number_reflns         9960
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0417
_refine_ls_R_factor_gt           0.0307
_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)+(0.0413P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0708
_refine_ls_wR_factor_ref         0.0735
_reflns_number_gt                8138
_reflns_number_total             9960
_reflns_threshold_expression     >2sigma(I)
_cod_duplicate_entry             1516136
_cod_data_source_file            c4cy00497c1.cif
_cod_data_source_block           ax0480abssq
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2827 2014-09-09 07:05:25Z andrius 
;
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               1517892
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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
Rh1 Rh 0.281618(8) 0.5000 0.178915(11) 0.02024(6) Uani 1 2 d S
Rh2 Rh 0.239857(8) 0.5000 0.328316(11) 0.02108(6) Uani 1 2 d S
Cl1 Cl 0.276500(19) 0.58167(2) 0.27209(3) 0.02835(12) Uani 1 1 d .
P1 P 0.273679(19) 0.40677(2) 0.10177(3) 0.02135(11) Uani 1 1 d .
P2 P 0.226330(19) 0.58971(3) 0.39152(3) 0.02308(11) Uani 1 1 d .
O1 O 0.27398(7) 0.5000 -0.01719(10) 0.0257(4) Uani 1 2 d S
O2 O 0.29062(7) 0.5000 0.51239(10) 0.0237(4) Uani 1 2 d S
C1 C 0.30370(7) 0.38806(10) 0.03733(11) 0.0245(4) Uani 1 1 d .
C2 C 0.32961(7) 0.32653(10) 0.03778(11) 0.0291(5) Uani 1 1 d .
H2 H 0.3319 0.2891 0.0723 0.035 Uiso 1 1 calc R
C3 C 0.35226(8) 0.31911(11) -0.01168(12) 0.0346(5) Uani 1 1 d .
H3 H 0.3695 0.2765 -0.0111 0.042 Uiso 1 1 calc R
C4 C 0.34994(8) 0.37344(11) -0.06206(12) 0.0354(5) Uani 1 1 d .
H4 H 0.3662 0.3680 -0.0948 0.043 Uiso 1 1 calc R
C5 C 0.32424(8) 0.43527(10) -0.06497(11) 0.0328(5) Uani 1 1 d .
C6 C 0.31954(14) 0.5000 -0.11589(18) 0.0401(8) Uani 1 2 d S
C7 C 0.35997(18) 0.5000 -0.1456(2) 0.0738(15) Uani 1 2 d S
H7A H 0.3570 0.5431 -0.1760 0.111 Uiso 0.50 1 calc PR
H7B H 0.3562 0.4579 -0.1776 0.111 Uiso 0.50 1 calc PR
H7C H 0.3924 0.4991 -0.1021 0.111 Uiso 1 2 calc SR
C8 C 0.26856(17) 0.5000 -0.18386(18) 0.0668(13) Uani 1 2 d S
H8A H 0.2680 0.5353 -0.2217 0.100 Uiso 0.50 1 calc PR
H8B H 0.2434 0.5120 -0.1658 0.100 Uiso 0.50 1 calc PR
H8C H 0.2618 0.4527 -0.2075 0.100 Uiso 0.50 1 calc PR
C9 C 0.30109(8) 0.43943(10) -0.01587(11) 0.0268(4) Uani 1 1 d .
C10 C 0.29121(7) 0.32416(10) 0.15785(10) 0.0246(4) Uani 1 1 d .
C11 C 0.33930(8) 0.31860(11) 0.21328(12) 0.0339(5) Uani 1 1 d .
H11 H 0.3619 0.3563 0.2201 0.041 Uiso 1 1 calc R
C12 C 0.35456(9) 0.25783(13) 0.25907(13) 0.0456(6) Uani 1 1 d .
H12 H 0.3875 0.2541 0.2967 0.055 Uiso 1 1 calc R
C13 C 0.32173(11) 0.20335(13) 0.24957(14) 0.0505(7) Uani 1 1 d .
H13 H 0.3319 0.1622 0.2810 0.061 Uiso 1 1 calc R
C14 C 0.27424(11) 0.20847(12) 0.19464(15) 0.0500(7) Uani 1 1 d .
H14 H 0.2518 0.1706 0.1881 0.060 Uiso 1 1 calc R
C15 C 0.25865(8) 0.26882(10) 0.14831(12) 0.0331(5) Uani 1 1 d .
H15 H 0.2257 0.2719 0.1103 0.040 Uiso 1 1 calc R
C16 C 0.20868(7) 0.39279(10) 0.03712(11) 0.0256(4) Uani 1 1 d .
C17 C 0.19274(8) 0.36740(11) -0.03711(11) 0.0332(5) Uani 1 1 d .
H17 H 0.2162 0.3555 -0.0565 0.040 Uiso 1 1 calc R
C18 C 0.14266(9) 0.35924(12) -0.08343(13) 0.0419(6) Uani 1 1 d .
H18 H 0.1322 0.3421 -0.1343 0.050 Uiso 1 1 calc R
C19 C 0.10853(9) 0.37572(13) -0.05625(14) 0.0470(6) Uani 1 1 d .
H19 H 0.0744 0.3706 -0.0883 0.056 Uiso 1 1 calc R
C20 C 0.12390(9) 0.40001(13) 0.01844(15) 0.0495(6) Uani 1 1 d .
H20 H 0.1003 0.4101 0.0381 0.059 Uiso 1 1 calc R
C21 C 0.17332(8) 0.40948(11) 0.06411(13) 0.0374(5) Uani 1 1 d .
H21 H 0.1835 0.4276 0.1146 0.045 Uiso 1 1 calc R
C22 C 0.28860(7) 0.61463(10) 0.45982(11) 0.0255(4) Uani 1 1 d .
C23 C 0.31415(8) 0.67609(10) 0.45797(12) 0.0326(5) Uani 1 1 d .
H23 H 0.2974 0.7138 0.4242 0.039 Uiso 1 1 calc R
C24 C 0.36394(8) 0.68244(11) 0.50522(13) 0.0389(5) Uani 1 1 d .
H24 H 0.3806 0.7253 0.5045 0.047 Uiso 1 1 calc R
C25 C 0.39002(8) 0.62757(12) 0.55364(12) 0.0371(5) Uani 1 1 d .
H25 H 0.4243 0.6327 0.5844 0.045 Uiso 1 1 calc R
C26 C 0.36610(7) 0.56510(10) 0.55722(11) 0.0284(4) Uani 1 1 d .
C27 C 0.38981(11) 0.5000 0.60709(16) 0.0326(7) Uani 1 2 d S
C28 C 0.44557(11) 0.5000 0.63716(19) 0.0431(8) Uani 1 2 d S
H28A H 0.4589 0.5432 0.6675 0.065 Uiso 0.50 1 calc PR
H28B H 0.4548 0.4989 0.5940 0.065 Uiso 1 2 calc SR
H28C H 0.4590 0.4580 0.6694 0.065 Uiso 0.50 1 calc PR
C29 C 0.37631(12) 0.5000 0.67643(16) 0.0396(8) Uani 1 2 d S
H29A H 0.3959 0.4639 0.7135 0.059 Uiso 0.50 1 calc PR
H29B H 0.3412 0.4891 0.6589 0.059 Uiso 0.50 1 calc PR
H29C H 0.3832 0.5470 0.7008 0.059 Uiso 0.50 1 calc PR
C30 C 0.31602(7) 0.56160(10) 0.51113(10) 0.0246(4) Uani 1 1 d .
C31 C 0.19091(8) 0.59066(10) 0.44968(11) 0.0302(5) Uani 1 1 d .
C32 C 0.21230(10) 0.59999(15) 0.52825(13) 0.0549(7) Uani 1 1 d .
H32 H 0.2471 0.6020 0.5553 0.066 Uiso 1 1 calc R
C33 C 0.18272(12) 0.60646(18) 0.56763(16) 0.0714(9) Uani 1 1 d .
H33 H 0.1978 0.6133 0.6215 0.086 Uiso 1 1 calc R
C34 C 0.13374(12) 0.60337(17) 0.53177(18) 0.0703(9) Uani 1 1 d .
H34 H 0.1142 0.6079 0.5597 0.084 Uiso 1 1 calc R
C35 C 0.11192(11) 0.5934(2) 0.4536(2) 0.0921(12) Uani 1 1 d .
H35 H 0.0771 0.5906 0.4272 0.111 Uiso 1 1 calc R
C36 C 0.14084(9) 0.58755(17) 0.41349(15) 0.0662(9) Uani 1 1 d .
H36 H 0.1254 0.5812 0.3595 0.079 Uiso 1 1 calc R
C37 C 0.20047(7) 0.67167(10) 0.33730(11) 0.0275(4) Uani 1 1 d .
C38 C 0.17901(8) 0.67059(11) 0.25773(11) 0.0323(5) Uani 1 1 d .
H38 H 0.1796 0.6281 0.2314 0.039 Uiso 1 1 calc R
C39 C 0.15668(9) 0.73117(12) 0.21651(13) 0.0426(6) Uani 1 1 d .
H39 H 0.1425 0.7301 0.1621 0.051 Uiso 1 1 calc R
C40 C 0.15506(9) 0.79270(12) 0.25403(14) 0.0462(6) Uani 1 1 d .
H40 H 0.1395 0.8340 0.2256 0.055 Uiso 1 1 calc R
C41 C 0.17619(9) 0.79450(12) 0.33334(13) 0.0442(6) Uani 1 1 d .
H41 H 0.1753 0.8371 0.3594 0.053 Uiso 1 1 calc R
C42 C 0.19833(8) 0.73470(11) 0.37415(12) 0.0365(5) Uani 1 1 d .
H42 H 0.2125 0.7362 0.4285 0.044 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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_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
P1 Rh1 P1 102.64(3) . 6_565
P1 Rh1 Cl1 165.034(18) . .
P1 Rh1 Cl1 88.493(16) 6_565 .
P1 Rh1 Cl1 88.493(16) . 6_565
P1 Rh1 Cl1 165.034(18) 6_565 6_565
Cl1 Rh1 Cl1 78.93(2) . 6_565
P2 Rh2 P2 99.18(3) . 6_565
P2 Rh2 Cl1 89.140(17) . .
P2 Rh2 Cl1 164.03(2) 6_565 .
P2 Rh2 Cl1 164.03(2) . 6_565
P2 Rh2 Cl1 89.140(17) 6_565 6_565
Cl1 Rh2 Cl1 79.76(2) . 6_565
Rh2 Cl1 Rh1 96.487(17) . .
C16 P1 C10 103.72(9) . .
C16 P1 C1 101.16(9) . .
C10 P1 C1 97.74(8) . .
C16 P1 Rh1 110.36(6) . .
C10 P1 Rh1 110.24(6) . .
C1 P1 Rh1 130.37(6) . .
C22 P2 C31 103.48(9) . .
C22 P2 C37 104.57(9) . .
C31 P2 C37 97.18(9) . .
C22 P2 Rh2 102.90(6) . .
C31 P2 Rh2 128.92(7) . .
C37 P2 Rh2 117.14(6) . .
C9 O1 C9 109.7(2) 6_565 .
C30 O2 C30 112.70(19) . 6_565
C9 C1 C2 116.22(17) . .
C9 C1 P1 118.18(14) . .
C2 C1 P1 125.59(15) . .
C3 C2 C1 120.73(19) . .
C3 C2 H2 119.6 . .
C1 C2 H2 119.6 . .
C2 C3 C4 120.63(19) . .
C2 C3 H3 119.7 . .
C4 C3 H3 119.7 . .
C5 C4 C3 120.64(18) . .
C5 C4 H4 119.7 . .
C3 C4 H4 119.7 . .
C4 C5 C9 116.62(18) . .
C4 C5 C6 126.43(19) . .
C9 C5 C6 116.95(19) . .
C5 C6 C5 105.2(2) 6_565 .
C5 C6 C8 109.7(2) 6_565 .
C5 C6 C8 109.7(2) . .
C5 C6 C7 111.3(2) 6_565 .
C5 C6 C7 111.3(2) . .
C8 C6 C7 109.7(3) . .
C6 C7 H7A 109.5 . .
C6 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C6 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C6 C8 H8A 109.5 . .
C6 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C6 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C1 C9 C5 125.08(18) . .
C1 C9 O1 115.73(16) . .
C5 C9 O1 119.16(17) . .
C15 C10 C11 119.32(18) . .
C15 C10 P1 123.09(15) . .
C11 C10 P1 117.57(15) . .
C10 C11 C12 120.3(2) . .
C10 C11 H11 119.8 . .
C12 C11 H11 119.8 . .
C13 C12 C11 119.9(2) . .
C13 C12 H12 120.1 . .
C11 C12 H12 120.1 . .
C14 C13 C12 120.0(2) . .
C14 C13 H13 120.0 . .
C12 C13 H13 120.0 . .
C13 C14 C15 120.6(2) . .
C13 C14 H14 119.7 . .
C15 C14 H14 119.7 . .
C10 C15 C14 119.9(2) . .
C10 C15 H15 120.1 . .
C14 C15 H15 120.1 . .
C17 C16 C21 118.33(19) . .
C17 C16 P1 123.73(16) . .
C21 C16 P1 117.94(15) . .
C16 C17 C18 120.6(2) . .
C16 C17 H17 119.7 . .
C18 C17 H17 119.7 . .
C19 C18 C17 120.4(2) . .
C19 C18 H18 119.8 . .
C17 C18 H18 119.8 . .
C18 C19 C20 119.7(2) . .
C18 C19 H19 120.1 . .
C20 C19 H19 120.1 . .
C21 C20 C19 120.2(2) . .
C21 C20 H20 119.9 . .
C19 C20 H20 119.9 . .
C20 C21 C16 120.8(2) . .
C20 C21 H21 119.6 . .
C16 C21 H21 119.6 . .
C23 C22 C30 116.26(18) . .
C23 C22 P2 126.62(16) . .
C30 C22 P2 116.22(14) . .
C24 C23 C22 120.30(19) . .
C24 C23 H23 119.9 . .
C22 C23 H23 119.9 . .
C23 C24 C25 121.5(2) . .
C23 C24 H24 119.3 . .
C25 C24 H24 119.3 . .
C24 C25 C26 120.2(2) . .
C24 C25 H25 119.9 . .
C26 C25 H25 119.9 . .
C30 C26 C25 116.66(19) . .
C30 C26 C27 117.04(18) . .
C25 C26 C27 126.3(2) . .
C28 C27 C26 112.57(16) . 6_565
C28 C27 C26 112.57(16) . .
C26 C27 C26 105.9(2) 6_565 .
C28 C27 C29 108.3(2) . .
C26 C27 C29 108.68(16) 6_565 .
C26 C27 C29 108.68(16) . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C27 C29 H29A 109.5 . .
C27 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C27 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C26 C30 O2 118.71(17) . .
C26 C30 C22 124.99(18) . .
O2 C30 C22 116.24(17) . .
C36 C31 C32 117.9(2) . .
C36 C31 P2 118.69(17) . .
C32 C31 P2 123.19(17) . .
C31 C32 C33 119.9(2) . .
C31 C32 H32 120.0 . .
C33 C32 H32 120.0 . .
C34 C33 C32 121.8(3) . .
C34 C33 H33 119.1 . .
C32 C33 H33 119.1 . .
C33 C34 C35 119.0(3) . .
C33 C34 H34 120.5 . .
C35 C34 H34 120.5 . .
C34 C35 C36 119.9(3) . .
C34 C35 H35 120.0 . .
C36 C35 H35 120.0 . .
C31 C36 C35 121.5(2) . .
C31 C36 H36 119.3 . .
C35 C36 H36 119.3 . .
C38 C37 C42 118.28(18) . .
C38 C37 P2 120.18(15) . .
C42 C37 P2 121.35(15) . .
C39 C38 C37 120.44(19) . .
C39 C38 H38 119.8 . .
C37 C38 H38 119.8 . .
C40 C39 C38 120.3(2) . .
C40 C39 H39 119.9 . .
C38 C39 H39 119.9 . .
C39 C40 C41 119.9(2) . .
C39 C40 H40 120.0 . .
C41 C40 H40 120.0 . .
C42 C41 C40 119.9(2) . .
C42 C41 H41 120.1 . .
C40 C41 H41 120.1 . .
C41 C42 C37 121.2(2) . .
C41 C42 H42 119.4 . .
C37 C42 H42 119.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 P1 2.2428(5) .
Rh1 P1 2.2428(5) 6_565
Rh1 Cl1 2.4130(5) .
Rh1 Cl1 2.4130(5) 6_565
Rh2 P2 2.2126(5) .
Rh2 P2 2.2126(5) 6_565
Rh2 Cl1 2.3920(5) .
Rh2 Cl1 2.3920(5) 6_565
P1 C16 1.834(2) .
P1 C10 1.8361(19) .
P1 C1 1.8451(19) .
P2 C22 1.832(2) .
P2 C31 1.836(2) .
P2 C37 1.838(2) .
O1 C9 1.391(2) 6_565
O1 C9 1.391(2) .
O2 C30 1.390(2) .
O2 C30 1.390(2) 6_565
C1 C9 1.385(3) .
C1 C2 1.389(3) .
C2 C3 1.388(3) .
C2 H2 0.9500 .
C3 C4 1.389(3) .
C3 H3 0.9500 .
C4 C5 1.381(3) .
C4 H4 0.9500 .
C5 C9 1.389(3) .
C5 C6 1.530(3) .
C6 C5 1.530(3) 6_565
C6 C8 1.536(5) .
C6 C7 1.540(5) .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C10 C15 1.383(3) .
C10 C11 1.388(3) .
C11 C12 1.396(3) .
C11 H11 0.9500 .
C12 C13 1.376(4) .
C12 H12 0.9500 .
C13 C14 1.372(4) .
C13 H13 0.9500 .
C14 C15 1.396(3) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C16 C17 1.387(3) .
C16 C21 1.396(3) .
C17 C18 1.393(3) .
C17 H17 0.9500 .
C18 C19 1.364(3) .
C18 H18 0.9500 .
C19 C20 1.389(3) .
C19 H19 0.9500 .
C20 C21 1.377(3) .
C20 H20 0.9500 .
C21 H21 0.9500 .
C22 C23 1.393(3) .
C22 C30 1.400(3) .
C23 C24 1.386(3) .
C23 H23 0.9500 .
C24 C25 1.388(3) .
C24 H24 0.9500 .
C25 C26 1.391(3) .
C25 H25 0.9500 .
C26 C30 1.385(3) .
C26 C27 1.532(3) .
C27 C28 1.518(4) .
C27 C26 1.532(3) 6_565
C27 C29 1.548(4) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C31 C36 1.362(3) .
C31 C32 1.383(3) .
C32 C33 1.392(3) .
C32 H32 0.9500 .
C33 C34 1.332(4) .
C33 H33 0.9500 .
C34 C35 1.378(4) .
C34 H34 0.9500 .
C35 C36 1.385(4) .
C35 H35 0.9500 .
C36 H36 0.9500 .
C37 C38 1.390(3) .
C37 C42 1.395(3) .
C38 C39 1.387(3) .
C38 H38 0.9500 .
C39 C40 1.374(3) .
C39 H39 0.9500 .
C40 C41 1.386(3) .
C40 H40 0.9500 .
C41 C42 1.371(3) .
C41 H41 0.9500 .
C42 H42 0.9500 .
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
P2 Rh2 Cl1 Rh1 -169.76(2) . .
P2 Rh2 Cl1 Rh1 68.41(7) 6_565 .
Cl1 Rh2 Cl1 Rh1 21.78(2) 6_565 .
P1 Rh1 Cl1 Rh2 11.67(9) . .
P1 Rh1 Cl1 Rh2 150.20(2) 6_565 .
Cl1 Rh1 Cl1 Rh2 -21.65(3) 6_565 .
P1 Rh1 P1 C16 -77.34(7) 6_565 .
Cl1 Rh1 P1 C16 59.93(10) . .
Cl1 Rh1 P1 C16 92.56(7) 6_565 .
P1 Rh1 P1 C10 168.68(7) 6_565 .
Cl1 Rh1 P1 C10 -54.05(11) . .
Cl1 Rh1 P1 C10 -21.42(7) 6_565 .
P1 Rh1 P1 C1 48.56(9) 6_565 .
Cl1 Rh1 P1 C1 -174.17(10) . .
Cl1 Rh1 P1 C1 -141.54(8) 6_565 .
P2 Rh2 P2 C22 97.77(6) 6_565 .
Cl1 Rh2 P2 C22 -68.53(6) . .
Cl1 Rh2 P2 C22 -22.85(10) 6_565 .
P2 Rh2 P2 C31 -21.72(10) 6_565 .
Cl1 Rh2 P2 C31 171.98(9) . .
Cl1 Rh2 P2 C31 -142.34(10) 6_565 .
P2 Rh2 P2 C37 -148.18(7) 6_565 .
Cl1 Rh2 P2 C37 45.52(8) . .
Cl1 Rh2 P2 C37 91.20(10) 6_565 .
C16 P1 C1 C9 76.13(17) . .
C10 P1 C1 C9 -178.16(16) . .
Rh1 P1 C1 C9 -53.15(19) . .
C16 P1 C1 C2 -104.67(18) . .
C10 P1 C1 C2 1.04(19) . .
Rh1 P1 C1 C2 126.05(15) . .
C9 C1 C2 C3 1.5(3) . .
P1 C1 C2 C3 -177.71(16) . .
C1 C2 C3 C4 0.7(3) . .
C2 C3 C4 C5 -1.3(3) . .
C3 C4 C5 C9 -0.4(3) . .
C3 C4 C5 C6 178.4(2) . .
C4 C5 C6 C5 -139.09(19) . 6_565
C9 C5 C6 C5 39.8(3) . 6_565
C4 C5 C6 C8 103.1(3) . .
C9 C5 C6 C8 -78.1(3) . .
C4 C5 C6 C7 -18.5(4) . .
C9 C5 C6 C7 160.4(2) . .
C2 C1 C9 C5 -3.5(3) . .
P1 C1 C9 C5 175.82(17) . .
C2 C1 C9 O1 178.38(17) . .
P1 C1 C9 O1 -2.3(2) . .
C4 C5 C9 C1 2.9(3) . .
C6 C5 C9 C1 -176.0(2) . .
C4 C5 C9 O1 -178.95(19) . .
C6 C5 C9 O1 2.1(3) . .
C9 O1 C9 C1 131.19(16) 6_565 .
C9 O1 C9 C5 -47.1(3) 6_565 .
C16 P1 C10 C15 -1.01(18) . .
C1 P1 C10 C15 -104.56(17) . .
Rh1 P1 C10 C15 117.12(15) . .
C16 P1 C10 C11 -179.61(15) . .
C1 P1 C10 C11 76.84(16) . .
Rh1 P1 C10 C11 -61.47(16) . .
C15 C10 C11 C12 -0.2(3) . .
P1 C10 C11 C12 178.45(16) . .
C10 C11 C12 C13 -0.4(3) . .
C11 C12 C13 C14 0.7(4) . .
C12 C13 C14 C15 -0.4(4) . .
C11 C10 C15 C14 0.5(3) . .
P1 C10 C15 C14 -178.08(16) . .
C13 C14 C15 C10 -0.2(3) . .
C10 P1 C16 C17 -95.17(17) . .
C1 P1 C16 C17 5.75(18) . .
Rh1 P1 C16 C17 146.77(15) . .
C10 P1 C16 C21 85.57(17) . .
C1 P1 C16 C21 -173.50(16) . .
Rh1 P1 C16 C21 -32.48(17) . .
C21 C16 C17 C18 0.3(3) . .
P1 C16 C17 C18 -178.90(16) . .
C16 C17 C18 C19 -0.4(3) . .
C17 C18 C19 C20 -0.8(4) . .
C18 C19 C20 C21 2.0(4) . .
C19 C20 C21 C16 -2.0(4) . .
C17 C16 C21 C20 0.9(3) . .
P1 C16 C21 C20 -179.83(18) . .
C31 P2 C22 C23 -115.16(18) . .
C37 P2 C22 C23 -13.91(19) . .
Rh2 P2 C22 C23 108.98(17) . .
C31 P2 C22 C30 76.14(16) . .
C37 P2 C22 C30 177.39(14) . .
Rh2 P2 C22 C30 -59.72(14) . .
C30 C22 C23 C24 -0.1(3) . .
P2 C22 C23 C24 -168.75(16) . .
C22 C23 C24 C25 2.0(3) . .
C23 C24 C25 C26 -1.7(3) . .
C24 C25 C26 C30 -0.5(3) . .
C24 C25 C26 C27 179.5(2) . .
C30 C26 C27 C28 163.6(2) . .
C25 C26 C27 C28 -16.4(3) . .
C30 C26 C27 C26 40.2(3) . 6_565
C25 C26 C27 C26 -139.83(17) . 6_565
C30 C26 C27 C29 -76.5(2) . .
C25 C26 C27 C29 103.6(3) . .
C25 C26 C30 O2 179.55(17) . .
C27 C26 C30 O2 -0.4(3) . .
C25 C26 C30 C22 2.6(3) . .
C27 C26 C30 C22 -177.41(19) . .
C30 O2 C30 C26 -43.5(3) 6_565 .
C30 O2 C30 C22 133.73(15) 6_565 .
C23 C22 C30 C26 -2.3(3) . .
P2 C22 C30 C26 167.59(15) . .
C23 C22 C30 O2 -179.35(16) . .
P2 C22 C30 O2 -9.5(2) . .
C22 P2 C31 C36 167.7(2) . .
C37 P2 C31 C36 60.8(2) . .
Rh2 P2 C31 C36 -73.0(2) . .
C22 P2 C31 C32 -7.0(2) . .
C37 P2 C31 C32 -114.0(2) . .
Rh2 P2 C31 C32 112.21(19) . .
C36 C31 C32 C33 -0.5(4) . .
P2 C31 C32 C33 174.3(2) . .
C31 C32 C33 C34 0.5(5) . .
C32 C33 C34 C35 0.1(5) . .
C33 C34 C35 C36 -0.6(6) . .
C32 C31 C36 C35 0.0(5) . .
P2 C31 C36 C35 -175.1(3) . .
C34 C35 C36 C31 0.6(6) . .
C22 P2 C37 C38 129.06(17) . .
C31 P2 C37 C38 -124.95(18) . .
Rh2 P2 C37 C38 16.0(2) . .
C22 P2 C37 C42 -55.99(19) . .
C31 P2 C37 C42 50.00(19) . .
Rh2 P2 C37 C42 -169.10(15) . .
C42 C37 C38 C39 0.8(3) . .
P2 C37 C38 C39 175.93(17) . .
C37 C38 C39 C40 -0.8(4) . .
C38 C39 C40 C41 0.6(4) . .
C39 C40 C41 C42 -0.5(4) . .
C40 C41 C42 C37 0.6(4) . .
C38 C37 C42 C41 -0.7(3) . .
P2 C37 C42 C41 -175.78(18) . .
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
1 0.000 -0.025 0.000 2021.0 640.2
2 0.236 0.000 0.344 6.9 0.1
3 0.500 -0.012 0.307 2021.0 640.2
4 0.764 0.000 0.656 6.9 -0.1
5 0.264 0.500 0.656 6.9 -0.1
6 0.736 0.500 0.344 6.9 0.1
