#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/19/2211934.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2211934
loop_
_publ_author_name
'Hadebe, Siphamandla W.'
'Robinson, Ross R.'
'Munro, Orde Q.'
_publ_section_title
;
 A bis(benzenedithiolate)-bridged dinuclear RhIII complex with
 capping triphenylphosphine ligands and an Rh₂S₂ core
;
_journal_coeditor_code           SG2110
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m175
_journal_page_last               m177
_journal_paper_doi               10.1107/S1600536806053037
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Rh2 (C6 H4 S2)2 (C6 H5 S2)2 (C18 H15 P1)2] , 4C H2 Cl2'
_chemical_formula_moiety         'C60 H48 P2 Rh2 S8 , 4C H2 Cl2'
_chemical_formula_sum            'C64 H56 Cl8 P2 Rh2 S8'
_chemical_formula_weight         1632.93
_chemical_name_systematic
;
bis(μ-benzene-1,2-dithiolato)bis[(2-
mercaptobenzenethiolato)triphenylphosphine)rhodium(III)]
dichloromethane tetrasolvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                104.781(4)
_cell_angle_beta                 97.789(4)
_cell_angle_gamma                96.089(4)
_cell_formula_units_Z            1
_cell_length_a                   10.8719(5)
_cell_length_b                   11.0495(5)
_cell_length_c                   14.2621(5)
_cell_measurement_reflns_used    15065
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.9987
_cell_measurement_theta_min      4.4352
_cell_volume                     1623.53(13)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2005)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2005)'
_computing_data_reduction        'CrysAlis RED'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Oxford Xcalibur2 CCD area-detector'
_diffrn_measurement_method       ω/2θ
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0209
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15977
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         4.44
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.18582
_exptl_absorpt_correction_T_max  0.87949
_exptl_absorpt_correction_T_min  0.80774
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(CrysAlis RED; Oxford Diffraction, 2005)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.67
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rhomb
_exptl_crystal_F_000             824
_exptl_crystal_size_max          0.21563
_exptl_crystal_size_mid          0.12199
_exptl_crystal_size_min          0.04185
_refine_diff_density_max         0.492
_refine_diff_density_min         -0.382
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     383
_refine_ls_number_reflns         5650
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_gt           0.0247
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.025P)²+2.3569P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.06
_reflns_number_gt                5476
_reflns_number_total             5650
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            sg2110.cif
_cod_data_source_block           IV
_cod_original_cell_volume        1623.53(12)
_cod_database_code               2211934
_cod_database_fobs_code          2211934
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
C C1 0.4359(2) 0.4129(2) 0.79067(16) 0.0118(4) Uani d . 1
C C2 0.4398(2) 0.3692(2) 0.87469(18) 0.0182(5) Uani d . 1
H H2 0.5185 0.3705 0.9134 0.022 Uiso calc R 1
C C3 0.3304(2) 0.3240(2) 0.90211(18) 0.0207(5) Uani d . 1
H H3 0.3349 0.2946 0.9593 0.025 Uiso calc R 1
C C4 0.2135(2) 0.3214(2) 0.84656(18) 0.0183(5) Uani d . 1
H H4 0.1387 0.2886 0.8648 0.022 Uiso calc R 1
C C5 0.2080(2) 0.3672(2) 0.76435(17) 0.0152(5) Uani d . 1
H H5 0.129 0.369 0.7273 0.018 Uiso calc R 1
C C6 0.3187(2) 0.4107(2) 0.73610(16) 0.0112(4) Uani d . 1
C C21 0.7793(2) 0.4692(2) 0.57917(15) 0.0096(4) Uani d . 1
C C22 0.9081(2) 0.4609(2) 0.58625(16) 0.0131(4) Uani d . 1
H H22 0.9679 0.5345 0.6164 0.016 Uiso calc R 1
C C23 0.9486(2) 0.3454(2) 0.54935(17) 0.0152(5) Uani d . 1
H H23 1.0359 0.3412 0.5532 0.018 Uiso calc R 1
C C24 0.8624(2) 0.2361(2) 0.50680(16) 0.0135(5) Uani d . 1
H H24 0.8907 0.157 0.4838 0.016 Uiso calc R 1
C C31 0.4901(2) 0.8854(2) 0.70877(16) 0.0111(4) Uani d . 1
C C32 0.4060(2) 0.9702(2) 0.73617(17) 0.0147(5) Uani d . 1
H H32 0.3494 0.9548 0.7785 0.018 Uiso calc R 1
C C33 0.4053(2) 1.0768(2) 0.70146(18) 0.0190(5) Uani d . 1
H H33 0.3465 1.1329 0.7188 0.023 Uiso calc R 1
C C34 0.4893(2) 1.1018(2) 0.64192(18) 0.0198(5) Uani d . 1
H H34 0.4886 1.175 0.6186 0.024 Uiso calc R 1
C C35 0.5752(2) 1.0191(2) 0.61627(17) 0.0167(5) Uani d . 1
H H35 0.6343 1.037 0.5766 0.02 Uiso calc R 1
C C36 0.5746(2) 0.9111(2) 0.64840(16) 0.0132(5) Uani d . 1
H H36 0.632 0.8541 0.6293 0.016 Uiso calc R 1
C C41 0.3702(2) 0.72549(19) 0.81345(16) 0.0101(4) Uani d . 1
C C42 0.2489(2) 0.7282(2) 0.76618(17) 0.0132(5) Uani d . 1
H H42 0.2376 0.7474 0.7046 0.016 Uiso calc R 1
C C43 0.1450(2) 0.7029(2) 0.80924(17) 0.0157(5) Uani d . 1
H H43 0.0633 0.7068 0.7777 0.019 Uiso calc R 1
C C44 0.1606(2) 0.6720(2) 0.89803(18) 0.0172(5) Uani d . 1
H H44 0.0896 0.6545 0.9272 0.021 Uiso calc R 1
C C45 0.2802(2) 0.6666(2) 0.94422(17) 0.0172(5) Uani d . 1
H H45 0.2908 0.6445 1.0047 0.021 Uiso calc R 1
C C46 0.3838(2) 0.6933(2) 0.90239(16) 0.0130(5) Uani d . 1
H H46 0.4652 0.6898 0.9346 0.016 Uiso calc R 1
P P1 0.50557(5) 0.74546(5) 0.75307(4) 0.00798(12) Uani d . 1
Rh Rh1 0.516868(15) 0.559012(15) 0.631842(11) 0.00660(6) Uani d . 1
S S1 0.57820(5) 0.47043(5) 0.76088(4) 0.01074(11) Uani d . 1
S S2 0.30796(5) 0.47635(5) 0.63334(4) 0.00959(11) Uani d . 1
S S3 0.72913(5) 0.61691(5) 0.62473(4) 0.00973(11) Uani d . 1
S S4 0.52994(5) 0.36774(5) 0.51249(4) 0.00713(11) Uani d . 1
Cl Cl3 0.85112(6) 0.89997(6) 0.53038(5) 0.02969(15) Uani d . 1
Cl Cl2 0.90066(7) 0.41800(7) 0.85316(6) 0.03787(18) Uani d . 1
C C26 0.6934(2) 0.3598(2) 0.53249(15) 0.0093(4) Uani d . 1
C C25 0.7350(2) 0.2432(2) 0.49825(16) 0.0118(4) Uani d . 1
H H25 0.6758 0.1689 0.4691 0.014 Uiso calc R 1
C C51 0.6359(2) 0.8126(2) 0.85671(16) 0.0106(4) Uani d . 1
C C52 0.6236(2) 0.9252(2) 0.92502(16) 0.0141(5) Uani d . 1
H H52 0.5483 0.961 0.9181 0.017 Uiso calc R 1
C C56 0.7476(2) 0.7613(2) 0.86780(16) 0.0136(5) Uani d . 1
H H56 0.7572 0.6844 0.823 0.016 Uiso calc R 1
C C53 0.7201(2) 0.9850(2) 1.00256(17) 0.0174(5) Uani d . 1
H H53 0.7101 1.0605 1.049 0.021 Uiso calc R 1
C C55 0.8447(2) 0.8238(2) 0.94497(17) 0.0175(5) Uani d . 1
H H55 0.9211 0.7898 0.9514 0.021 Uiso calc R 1
C C54 0.8315(2) 0.9346(2) 1.01233(17) 0.0182(5) Uani d . 1
H H54 0.8981 0.9759 1.0649 0.022 Uiso calc R 1
Cl Cl1 0.81361(8) 0.15369(7) 0.83715(5) 0.03757(18) Uani d . 1
Cl Cl4 1.05266(7) 1.02331(7) 0.69693(6) 0.0434(2) Uani d . 1
C C1S 0.8249(3) 0.2712(3) 0.7737(2) 0.0297(6) Uani d . 1
H H1S1 0.7397 0.2808 0.7447 0.036 Uiso calc R 1
H H1S2 0.8725 0.2445 0.7194 0.036 Uiso calc R 1
C C2S 0.9222(3) 0.9025(3) 0.6506(2) 0.0332(7) Uani d . 1
H H2S1 0.8596 0.9159 0.6952 0.04 Uiso calc R 1
H H2S2 0.9498 0.8196 0.6492 0.04 Uiso calc R 1
H H100 0.293(3) 0.367(3) 0.568(2) 0.022(7) Uiso d . 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 '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'
P P 0.1023 0.0942 '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'
S S 0.1246 0.1234 '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_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C6 C1 C2 . 118.0(2) ?
C6 C1 S1 . 123.53(17) ?
C2 C1 S1 . 118.41(18) ?
C3 C2 C1 . 120.8(2) ?
C3 C2 H2 . 119.6 ?
C1 C2 H2 . 119.6 ?
C2 C3 C4 . 120.7(2) ?
C2 C3 H3 . 119.7 ?
C4 C3 H3 . 119.7 ?
C5 C4 C3 . 119.1(2) ?
C5 C4 H4 . 120.4 ?
C3 C4 H4 . 120.4 ?
C4 C5 C6 . 119.9(2) ?
C4 C5 H5 . 120 ?
C6 C5 H5 . 120 ?
C1 C6 C5 . 121.4(2) ?
C1 C6 S2 . 119.78(17) ?
C5 C6 S2 . 118.66(17) ?
C26 C21 C22 . 118.52(19) ?
C26 C21 S3 . 121.51(16) ?
C22 C21 S3 . 119.93(17) ?
C23 C22 C21 . 120.4(2) ?
C23 C22 H22 . 119.8 ?
C21 C22 H22 . 119.8 ?
C22 C23 C24 . 120.6(2) ?
C22 C23 H23 . 119.7 ?
C24 C23 H23 . 119.7 ?
C25 C24 C23 . 119.6(2) ?
C25 C24 H24 . 120.2 ?
C23 C24 H24 . 120.2 ?
C36 C31 C32 . 119.2(2) ?
C36 C31 P1 . 116.22(16) ?
C32 C31 P1 . 124.47(17) ?
C33 C32 C31 . 120.0(2) ?
C33 C32 H32 . 120 ?
C31 C32 H32 . 120 ?
C34 C33 C32 . 120.5(2) ?
C34 C33 H33 . 119.7 ?
C32 C33 H33 . 119.7 ?
C33 C34 C35 . 119.7(2) ?
C33 C34 H34 . 120.2 ?
C35 C34 H34 . 120.2 ?
C36 C35 C34 . 120.3(2) ?
C36 C35 H35 . 119.9 ?
C34 C35 H35 . 119.9 ?
C35 C36 C31 . 120.4(2) ?
C35 C36 H36 . 119.8 ?
C31 C36 H36 . 119.8 ?
C46 C41 C42 . 118.7(2) ?
C46 C41 P1 . 120.38(17) ?
C42 C41 P1 . 120.57(17) ?
C43 C42 C41 . 120.3(2) ?
C43 C42 H42 . 119.9 ?
C41 C42 H42 . 119.9 ?
C44 C43 C42 . 120.1(2) ?
C44 C43 H43 . 119.9 ?
C42 C43 H43 . 119.9 ?
C43 C44 C45 . 119.9(2) ?
C43 C44 H44 . 120 ?
C45 C44 H44 . 120 ?
C46 C45 C44 . 120.2(2) ?
C46 C45 H45 . 119.9 ?
C44 C45 H45 . 119.9 ?
C45 C46 C41 . 120.8(2) ?
C45 C46 H46 . 119.6 ?
C41 C46 H46 . 119.6 ?
C41 P1 C31 . 105.35(10) ?
C41 P1 C51 . 103.38(10) ?
C31 P1 C51 . 99.43(10) ?
C41 P1 Rh1 . 110.98(7) ?
C31 P1 Rh1 . 115.45(7) ?
C51 P1 Rh1 . 120.47(7) ?
S1 Rh1 S3 . 89.708(19) y
S1 Rh1 P1 . 87.264(19) y
S3 Rh1 P1 . 94.227(19) y
S1 Rh1 S2 . 87.451(19) y
S3 Rh1 S2 . 173.370(19) y
P1 Rh1 S2 . 91.621(19) y
S1 Rh1 S4 . 91.223(19) y
S3 Rh1 S4 . 85.765(18) y
P1 Rh1 S4 . 178.486(19) y
S2 Rh1 S4 . 88.307(19) y
S1 Rh1 S4 2_666 172.623(19) y
S3 Rh1 S4 2_666 86.131(19) y
P1 Rh1 S4 2_666 99.105(19) y
S2 Rh1 S4 2_666 96.034(19) y
S4 Rh1 S4 2_666 82.405(19) y
C1 S1 Rh1 . 104.14(8) ?
C6 S2 Rh1 . 104.54(8) ?
C6 S2 H100 . 94.3(12) ?
Rh1 S2 H100 . 102.1(12) y
C21 S3 Rh1 . 102.76(7) ?
C26 S4 Rh1 . 101.90(7) ?
C26 S4 Rh1 2_666 107.82(7) ?
Rh1 S4 Rh1 2_666 97.595(19) y
C21 C26 C25 . 120.6(2) ?
C21 C26 S4 . 120.31(16) ?
C25 C26 S4 . 119.02(17) ?
C24 C25 C26 . 120.2(2) ?
C24 C25 H25 . 119.9 ?
C26 C25 H25 . 119.9 ?
C56 C51 C52 . 118.9(2) ?
C56 C51 P1 . 123.77(17) ?
C52 C51 P1 . 117.27(17) ?
C53 C52 C51 . 120.8(2) ?
C53 C52 H52 . 119.6 ?
C51 C52 H52 . 119.6 ?
C55 C56 C51 . 119.7(2) ?
C55 C56 H56 . 120.2 ?
C51 C56 H56 . 120.2 ?
C52 C53 C54 . 120.0(2) ?
C52 C53 H53 . 120 ?
C54 C53 H53 . 120 ?
C54 C55 C56 . 121.0(2) ?
C54 C55 H55 . 119.5 ?
C56 C55 H55 . 119.5 ?
C55 C54 C53 . 119.6(2) ?
C55 C54 H54 . 120.2 ?
C53 C54 H54 . 120.2 ?
Cl1 C1S Cl2 . 111.25(16) ?
Cl1 C1S H1S1 . 109.4 ?
Cl2 C1S H1S1 . 109.4 ?
Cl1 C1S H1S2 . 109.4 ?
Cl2 C1S H1S2 . 109.4 ?
H1S1 C1S H1S2 . 108 ?
Cl4 C2S Cl3 . 111.79(16) ?
Cl4 C2S H2S1 . 109.3 ?
Cl3 C2S H2S1 . 109.3 ?
Cl4 C2S H2S2 . 109.3 ?
Cl3 C2S H2S2 . 109.3 ?
H2S1 C2S H2S2 . 107.9 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C6 . 1.394(3) ?
C1 C2 . 1.399(3) ?
C1 S1 . 1.757(2) ?
C2 C3 . 1.384(3) ?
C2 H2 . 0.95 ?
C3 C4 . 1.397(4) ?
C3 H3 . 0.95 ?
C4 C5 . 1.387(3) ?
C4 H4 . 0.95 ?
C5 C6 . 1.396(3) ?
C5 H5 . 0.95 ?
C6 S2 . 1.789(2) ?
C21 C26 . 1.400(3) ?
C21 C22 . 1.404(3) ?
C21 S3 . 1.769(2) ?
C22 C23 . 1.392(3) ?
C22 H22 . 0.95 ?
C23 C24 . 1.392(3) ?
C23 H23 . 0.95 ?
C24 C25 . 1.386(3) ?
C24 H24 . 0.95 ?
C31 C36 . 1.396(3) ?
C31 C32 . 1.399(3) ?
C31 P1 . 1.829(2) ?
C32 C33 . 1.390(3) ?
C32 H32 . 0.95 ?
C33 C34 . 1.381(4) ?
C33 H33 . 0.95 ?
C34 C35 . 1.394(4) ?
C34 H34 . 0.95 ?
C35 C36 . 1.383(3) ?
C35 H35 . 0.95 ?
C36 H36 . 0.95 ?
C41 C46 . 1.396(3) ?
C41 C42 . 1.405(3) ?
C41 P1 . 1.824(2) ?
C42 C43 . 1.393(3) ?
C42 H42 . 0.95 ?
C43 C44 . 1.387(3) ?
C43 H43 . 0.95 ?
C44 C45 . 1.390(3) ?
C44 H44 . 0.95 ?
C45 C46 . 1.383(3) ?
C45 H45 . 0.95 ?
C46 H46 . 0.95 ?
P1 C51 . 1.842(2) ?
P1 Rh1 . 2.3542(5) yes
Rh1 S1 . 2.3483(5) yes
Rh1 S3 . 2.3512(6) yes
Rh1 S2 . 2.3614(6) yes
Rh1 S4 . 2.3829(5) yes
Rh1 S4 2_666 2.4093(5) yes
S2 H100 . 1.31(3) yes
S4 C26 . 1.777(2) ?
S4 Rh1 2_666 2.4093(5) ?
Cl3 C2S . 1.775(3) ?
Cl2 C1S . 1.766(3) ?
C26 C25 . 1.402(3) ?
C25 H25 . 0.95 ?
C51 C56 . 1.400(3) ?
C51 C52 . 1.402(3) ?
C52 C53 . 1.388(3) ?
C52 H52 . 0.95 ?
C56 C55 . 1.395(3) ?
C56 H56 . 0.95 ?
C53 C54 . 1.390(4) ?
C53 H53 . 0.95 ?
C55 C54 . 1.385(3) ?
C55 H55 . 0.95 ?
C54 H54 . 0.95 ?
Cl1 C1S . 1.765(3) ?
Cl4 C2S . 1.768(3) ?
C1S H1S1 . 0.99 ?
C1S H1S2 . 0.99 ?
C2S H2S1 . 0.99 ?
C2S H2S2 . 0.99 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
S2 H100 S3 2_666 1.31(3) 2.78(3) 3.5137(8) 113.8(18)
C1S H1S1 S1 1_555 0.99 2.86 3.660(3) 139
C56 H56 S1 1_555 0.95 2.77 3.396(2) 125
C56 H56 S3 1_555 0.95 2.70 3.395(2) 131
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C6 C1 C2 C3 . . 0.6(3) ?
S1 C1 C2 C3 . . 179.37(19) ?
C1 C2 C3 C4 . . -0.1(4) ?
C2 C3 C4 C5 . . -1.4(4) ?
C3 C4 C5 C6 . . 2.4(4) ?
C2 C1 C6 C5 . . 0.5(3) ?
S1 C1 C6 C5 . . -178.22(17) ?
C2 C1 C6 S2 . . 175.37(17) ?
S1 C1 C6 S2 . . -3.4(3) ?
C4 C5 C6 C1 . . -2.0(3) ?
C4 C5 C6 S2 . . -176.94(18) ?
C26 C21 C22 C23 . . -1.4(3) ?
S3 C21 C22 C23 . . -179.06(17) ?
C21 C22 C23 C24 . . -1.4(3) ?
C22 C23 C24 C25 . . 2.2(3) ?
C36 C31 C32 C33 . . 1.5(3) ?
P1 C31 C32 C33 . . 177.30(18) ?
C31 C32 C33 C34 . . -1.6(4) ?
C32 C33 C34 C35 . . 0.2(4) ?
C33 C34 C35 C36 . . 1.4(4) ?
C34 C35 C36 C31 . . -1.6(4) ?
C32 C31 C36 C35 . . 0.1(3) ?
P1 C31 C36 C35 . . -176.03(18) ?
C46 C41 C42 C43 . . 1.9(3) ?
P1 C41 C42 C43 . . 174.86(17) ?
C41 C42 C43 C44 . . -1.5(3) ?
C42 C43 C44 C45 . . 0.2(3) ?
C43 C44 C45 C46 . . 0.7(3) ?
C44 C45 C46 C41 . . -0.3(3) ?
C42 C41 C46 C45 . . -1.0(3) ?
P1 C41 C46 C45 . . -174.01(17) ?
C46 C41 P1 C31 . . -138.13(18) ?
C42 C41 P1 C31 . . 49.01(19) ?
C46 C41 P1 C51 . . -34.2(2) ?
C42 C41 P1 C51 . . 152.89(17) ?
C46 C41 P1 Rh1 . . 96.25(17) ?
C42 C41 P1 Rh1 . . -76.61(18) ?
C36 C31 P1 C41 . . -171.99(17) ?
C32 C31 P1 C41 . . 12.1(2) ?
C36 C31 P1 C51 . . 81.22(18) ?
C32 C31 P1 C51 . . -94.7(2) ?
C36 C31 P1 Rh1 . . -49.19(19) ?
C32 C31 P1 Rh1 . . 134.87(18) ?
C41 P1 Rh1 S1 . . -72.26(8) ?
C31 P1 Rh1 S1 . . 167.97(8) ?
C51 P1 Rh1 S1 . . 48.61(8) ?
C41 P1 Rh1 S3 . . -161.77(8) ?
C31 P1 Rh1 S3 . . 78.47(8) ?
C51 P1 Rh1 S3 . . -40.89(8) ?
C41 P1 Rh1 S2 . . 15.11(8) ?
C31 P1 Rh1 S2 . . -104.66(8) ?
C51 P1 Rh1 S2 . . 135.98(8) ?
C41 P1 Rh1 S4 . 2_666 111.48(8) ?
C31 P1 Rh1 S4 . 2_666 -8.28(8) ?
C51 P1 Rh1 S4 . 2_666 -127.64(8) ?
C6 C1 S1 Rh1 . . 7.4(2) ?
C2 C1 S1 Rh1 . . -171.39(17) ?
S3 Rh1 S1 C1 . . 179.61(8) ?
P1 Rh1 S1 C1 . . 85.36(8) ?
S2 Rh1 S1 C1 . . -6.39(8) ?
S4 Rh1 S1 C1 . . -94.64(8) ?
C1 C6 S2 Rh1 . . -2.59(19) ?
C5 C6 S2 Rh1 . . 172.40(16) ?
S1 Rh1 S2 C6 . . 5.17(7) ?
P1 Rh1 S2 C6 . . -82.02(7) ?
S4 Rh1 S2 C6 . . 96.47(7) ?
S4 Rh1 S2 C6 2_666 . 178.65(7) ?
C26 C21 S3 Rh1 . . 17.52(19) y
C22 C21 S3 Rh1 . . -164.84(16) y
S1 Rh1 S3 C21 . . 68.87(7) ?
P1 Rh1 S3 C21 . . 156.11(7) ?
S4 Rh1 S3 C21 . . -22.37(7) ?
S4 Rh1 S3 C21 2_666 . -105.03(7) ?
S1 Rh1 S4 C26 . . -66.17(7) ?
S3 Rh1 S4 C26 . . 23.45(7) ?
S2 Rh1 S4 C26 . . -153.58(7) ?
S4 Rh1 S4 C26 2_666 . 110.10(7) ?
S1 Rh1 S4 Rh1 . 2_666 -176.27(2) ?
S3 Rh1 S4 Rh1 . 2_666 -86.65(2) ?
S2 Rh1 S4 Rh1 . 2_666 96.32(2) ?
S4 Rh1 S4 Rh1 2_666 2_666 0 ?
C22 C21 C26 C25 . . 3.3(3) ?
S3 C21 C26 C25 . . -179.01(16) ?
C22 C21 C26 S4 . . -174.76(16) ?
S3 C21 C26 S4 . . 2.9(3) ?
Rh1 S4 C26 C21 . . -21.29(18) y
Rh1 S4 C26 C21 2_666 . 80.81(17) ?
Rh1 S4 C26 C25 . . 160.60(15) y
Rh1 S4 C26 C25 2_666 . -97.30(17) ?
C23 C24 C25 C26 . . -0.2(3) ?
C21 C26 C25 C24 . . -2.6(3) ?
S4 C26 C25 C24 . . 175.52(17) ?
C41 P1 C51 C56 . . 126.69(19) ?
C31 P1 C51 C56 . . -124.93(19) ?
Rh1 P1 C51 C56 . . 2.2(2) ?
C41 P1 C51 C52 . . -56.69(19) ?
C31 P1 C51 C52 . . 51.68(19) ?
Rh1 P1 C51 C52 . . 178.77(14) ?
C56 C51 C52 C53 . . -0.1(3) ?
P1 C51 C52 C53 . . -176.93(18) ?
C52 C51 C56 C55 . . -1.1(3) ?
P1 C51 C56 C55 . . 175.48(17) ?
C51 C52 C53 C54 . . 1.1(3) ?
C51 C56 C55 C54 . . 1.4(3) ?
C56 C55 C54 C53 . . -0.5(4) ?
C52 C53 C54 C55 . . -0.8(4) ?
