#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/30/7003047.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_7003047
loop_
_publ_author_name
'Ollagnier, Cecile M. A.'
'Perera, Sarath D.'
'Fitchett, Christopher M.'
'Draper, Sylvia M.'
_publ_section_title
;
 Rhodium and palladium complexes of a pyridyl-centred polyphenylene
 derivative
;
_journal_issue                   2
_journal_name_full               'Dalton Transactions'
_journal_page_first              283
_journal_page_last               290
_journal_paper_doi               10.1039/b709818a
_journal_year                    2008
_chemical_formula_moiety         'C68 H46 Cl4 N4 Rh2, 6(C H Cl3)'
_chemical_formula_sum            'C74 H52 Cl22 N4 Rh2'
_chemical_formula_weight         1982.92
_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                 112.6660(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.2841(12)
_cell_length_b                   20.2395(13)
_cell_length_c                   21.0781(13)
_cell_measurement_reflns_used    6080
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      26.10
_cell_measurement_theta_min      2.20
_cell_volume                     7985.1(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      153(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0654
_diffrn_reflns_av_sigmaI/netI    0.0584
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            33833
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.48
_exptl_absorpt_coefficient_mu    1.195
_exptl_absorpt_correction_T_max  0.9765
_exptl_absorpt_correction_T_min  0.6987
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'blessing Acta Cryst. 1995(A51) 33-38'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.649
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3952
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.291
_refine_diff_density_min         -0.567
_refine_diff_density_rms         0.120
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.134
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         7853
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.134
_refine_ls_R_factor_all          0.0885
_refine_ls_R_factor_gt           0.0640
_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)+(0.0565P)²+22.9653P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1257
_refine_ls_wR_factor_ref         0.1343
_reflns_number_gt                6103
_reflns_number_total             7853
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b709818a.txt
_cod_data_source_block           5
_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_Hall     -C2yc
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7003047
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 0.57268(2) 0.051403(18) 0.044642(19) 0.01744(11) Uani 1 1 d . . .
Cl1 Cl 0.58695(7) 0.14541(6) 0.11187(6) 0.0256(3) Uani 1 1 d . . .
Cl2 Cl 0.44811(6) 0.04664(6) 0.02214(6) 0.0221(3) Uani 1 1 d . . .
N1 N 0.67403(19) 0.04543(19) 0.0609(2) 0.0176(8) Uani 1 1 d . . .
C2 C 0.6969(2) 0.0792(2) 0.0176(2) 0.0189(10) Uani 1 1 d . . .
C3 C 0.7693(3) 0.0745(2) 0.0275(2) 0.0186(10) Uani 1 1 d . . .
C4 C 0.8130(3) 0.0301(2) 0.0769(2) 0.0203(10) Uani 1 1 d . . .
C5 C 0.7850(3) -0.0089(2) 0.1162(2) 0.0204(10) Uani 1 1 d . . .
C6 C 0.7153(3) 0.0031(2) 0.1101(2) 0.0211(11) Uani 1 1 d . . .
C31 C 0.6383(3) 0.1156(2) -0.0366(2) 0.0194(10) Uani 1 1 d . . .
C32 C 0.5704(3) 0.1090(2) -0.0335(2) 0.0187(10) Uani 1 1 d . . .
C33 C 0.5129(3) 0.1420(2) -0.0807(3) 0.0245(11) Uani 1 1 d . . .
H33A H 0.4672 0.1383 -0.0782 0.029 Uiso 1 1 calc R . .
C34 C 0.5207(3) 0.1810(2) -0.1321(3) 0.0288(12) Uani 1 1 d . . .
H34A H 0.4810 0.2044 -0.1636 0.035 Uiso 1 1 calc R . .
C35 C 0.5866(3) 0.1852(3) -0.1367(3) 0.0269(12) Uani 1 1 d . . .
H35A H 0.5916 0.2103 -0.1727 0.032 Uiso 1 1 calc R . .
C36 C 0.6451(3) 0.1535(2) -0.0898(3) 0.0239(11) Uani 1 1 d . . .
H36A H 0.6902 0.1571 -0.0933 0.029 Uiso 1 1 calc R . .
C7 C 0.6790(3) -0.0243(2) 0.1544(3) 0.0225(11) Uani 1 1 d . . .
N8 N 0.6093(2) -0.0073(2) 0.1355(2) 0.0223(9) Uani 1 1 d . . .
C9 C 0.5726(3) -0.0242(3) 0.1738(3) 0.0271(12) Uani 1 1 d . . .
H9A H 0.5242 -0.0106 0.1598 0.032 Uiso 1 1 calc R . .
C10 C 0.6034(3) -0.0613(3) 0.2333(3) 0.0314(13) Uani 1 1 d . . .
H10A H 0.5767 -0.0730 0.2601 0.038 Uiso 1 1 calc R . .
C11 C 0.6734(3) -0.0805(3) 0.2526(3) 0.0377(14) Uani 1 1 d . . .
H11A H 0.6953 -0.1069 0.2925 0.045 Uiso 1 1 calc R . .
C12 C 0.7118(3) -0.0615(3) 0.2142(3) 0.0337(13) Uani 1 1 d . . .
H12A H 0.7606 -0.0738 0.2283 0.040 Uiso 1 1 calc R . .
C13 C 0.8290(3) -0.0635(2) 0.1599(3) 0.0217(11) Uani 1 1 d . . .
C18 C 0.8872(3) -0.0519(3) 0.2212(3) 0.0257(11) Uani 1 1 d . . .
H18A H 0.9019 -0.0080 0.2357 0.031 Uiso 1 1 calc R . .
C17 C 0.9231(3) -0.1051(3) 0.2608(3) 0.0348(14) Uani 1 1 d . . .
H17A H 0.9621 -0.0973 0.3031 0.042 Uiso 1 1 calc R . .
C16 C 0.9037(3) -0.1688(3) 0.2400(3) 0.0374(15) Uani 1 1 d . . .
H16A H 0.9291 -0.2047 0.2676 0.045 Uiso 1 1 calc R . .
C15 C 0.8473(3) -0.1805(3) 0.1790(3) 0.0380(14) Uani 1 1 d . . .
H15A H 0.8336 -0.2246 0.1644 0.046 Uiso 1 1 calc R . .
C14 C 0.8103(3) -0.1280(3) 0.1386(3) 0.0329(13) Uani 1 1 d . . .
H14A H 0.7718 -0.1364 0.0961 0.039 Uiso 1 1 calc R . .
C19 C 0.8902(3) 0.0246(2) 0.0883(3) 0.0231(11) Uani 1 1 d . . .
C24 C 0.9374(3) 0.0729(3) 0.1263(3) 0.0292(12) Uani 1 1 d . . .
H24A H 0.9205 0.1082 0.1458 0.035 Uiso 1 1 calc R . .
C23 C 1.0090(3) 0.0703(3) 0.1361(3) 0.0338(13) Uani 1 1 d . . .
H23A H 1.0412 0.1034 0.1624 0.041 Uiso 1 1 calc R . .
C22 C 1.0333(3) 0.0195(3) 0.1075(3) 0.0365(14) Uani 1 1 d . . .
H22A H 1.0822 0.0178 0.1138 0.044 Uiso 1 1 calc R . .
C21 C 0.9874(3) -0.0288(3) 0.0702(3) 0.0353(14) Uani 1 1 d . . .
H21A H 1.0047 -0.0635 0.0505 0.042 Uiso 1 1 calc R . .
C20 C 0.9157(3) -0.0273(3) 0.0608(3) 0.0291(12) Uani 1 1 d . . .
H20A H 0.8843 -0.0615 0.0358 0.035 Uiso 1 1 calc R . .
C25 C 0.8013(2) 0.1138(2) -0.0140(2) 0.0208(10) Uani 1 1 d . . .
C26 C 0.8153(3) 0.0835(3) -0.0668(3) 0.0237(11) Uani 1 1 d . . .
H26A H 0.8056 0.0378 -0.0760 0.028 Uiso 1 1 calc R . .
C27 C 0.8436(3) 0.1201(3) -0.1062(3) 0.0287(12) Uani 1 1 d . . .
H27A H 0.8529 0.0995 -0.1424 0.034 Uiso 1 1 calc R . .
C28 C 0.8582(3) 0.1864(3) -0.0927(3) 0.0310(13) Uani 1 1 d . . .
H28A H 0.8765 0.2117 -0.1202 0.037 Uiso 1 1 calc R . .
C29 C 0.8462(3) 0.2158(3) -0.0390(3) 0.0307(13) Uani 1 1 d . . .
H29A H 0.8579 0.2611 -0.0288 0.037 Uiso 1 1 calc R . .
C30 C 0.8175(3) 0.1804(2) -0.0004(3) 0.0269(12) Uani 1 1 d . . .
H30A H 0.8087 0.2014 0.0358 0.032 Uiso 1 1 calc R . .
C50 C 0.3516(4) 0.1145(3) 0.1198(4) 0.0499(17) Uani 1 1 d . . .
H50A H 0.3857 0.1252 0.0974 0.060 Uiso 1 1 calc R . .
Cl51 Cl 0.33539(14) 0.02932(9) 0.11267(12) 0.0774(7) Uani 1 1 d . . .
Cl52 Cl 0.39100(11) 0.13697(9) 0.20665(10) 0.0641(5) Uani 1 1 d . . .
Cl53 Cl 0.27193(11) 0.15895(12) 0.07748(10) 0.0721(6) Uani 1 1 d . . .
C54 C 0.7352(3) 0.3277(3) 0.7679(3) 0.0396(15) Uani 1 1 d . . .
H54A H 0.7885 0.3266 0.7908 0.048 Uiso 1 1 calc R . .
Cl55 Cl 0.70798(16) 0.25933(11) 0.71497(12) 0.0932(8) Uani 1 1 d . . .
Cl56 Cl 0.70024(13) 0.32505(11) 0.83123(11) 0.0753(6) Uani 1 1 d . . .
Cl57 Cl 0.71067(12) 0.40084(10) 0.72109(12) 0.0738(6) Uani 1 1 d . . .
C59 C 0.0564(3) 0.2488(3) 0.9910(3) 0.0412(15) Uani 1 1 d . . .
H59A H 0.0160 0.2808 0.9799 0.049 Uiso 1 1 calc R . .
Cl60 Cl 0.04333(10) 0.18480(9) 1.04066(9) 0.0563(5) Uani 1 1 d . . .
Cl61 Cl 0.13721(9) 0.29046(8) 1.03758(10) 0.0529(4) Uani 1 1 d . . .
Cl62 Cl 0.05786(12) 0.21797(10) 0.91375(10) 0.0667(5) Uani 1 1 d . . .
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'
N N 0.0061 0.0033 '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
_geom_angle_publ_flag
N1 Rh1 C32 82.55(17) . . ?
N1 Rh1 N8 80.14(15) . . ?
C32 Rh1 N8 162.47(17) . . ?
N1 Rh1 Cl1 93.91(12) . . ?
C32 Rh1 Cl1 89.02(14) . . ?
N8 Rh1 Cl1 89.41(11) . . ?
N1 Rh1 Cl2 89.25(12) . 5_655 ?
C32 Rh1 Cl2 93.23(13) . 5_655 ?
N8 Rh1 Cl2 89.31(11) . 5_655 ?
Cl1 Rh1 Cl2 176.34(5) . 5_655 ?
N1 Rh1 Cl2 174.01(12) . . ?
C32 Rh1 Cl2 99.93(14) . . ?
N8 Rh1 Cl2 97.57(11) . . ?
Cl1 Rh1 Cl2 91.60(4) . . ?
Cl2 Rh1 Cl2 85.18(4) 5_655 . ?
Rh1 Cl2 Rh1 94.83(4) 5_655 . ?
C6 N1 C2 124.2(4) . . ?
C6 N1 Rh1 118.1(3) . . ?
C2 N1 Rh1 117.4(3) . . ?
N1 C2 C3 118.3(4) . . ?
N1 C2 C31 112.8(4) . . ?
C3 C2 C31 128.8(4) . . ?
C4 C3 C2 118.6(4) . . ?
C4 C3 C25 118.8(4) . . ?
C2 C3 C25 122.7(4) . . ?
C3 C4 C5 120.8(4) . . ?
C3 C4 C19 119.3(4) . . ?
C5 C4 C19 119.9(4) . . ?
C6 C5 C4 118.2(5) . . ?
C6 C5 C13 122.1(4) . . ?
C4 C5 C13 119.6(4) . . ?
N1 C6 C5 119.2(4) . . ?
N1 C6 C7 113.7(4) . . ?
C5 C6 C7 127.1(4) . . ?
C36 C31 C32 119.0(4) . . ?
C36 C31 C2 126.0(4) . . ?
C32 C31 C2 115.1(4) . . ?
C33 C32 C31 119.4(4) . . ?
C33 C32 Rh1 128.3(4) . . ?
C31 C32 Rh1 112.2(3) . . ?
C32 C33 C34 120.9(5) . . ?
C32 C33 H33A 119.5 . . ?
C34 C33 H33A 119.5 . . ?
C35 C34 C33 119.6(5) . . ?
C35 C34 H34A 120.2 . . ?
C33 C34 H34A 120.2 . . ?
C36 C35 C34 120.6(5) . . ?
C36 C35 H35A 119.7 . . ?
C34 C35 H35A 119.7 . . ?
C35 C36 C31 120.4(5) . . ?
C35 C36 H36A 119.8 . . ?
C31 C36 H36A 119.8 . . ?
N8 C7 C12 118.8(5) . . ?
N8 C7 C6 115.5(4) . . ?
C12 C7 C6 125.6(5) . . ?
C9 N8 C7 121.2(4) . . ?
C9 N8 Rh1 127.2(3) . . ?
C7 N8 Rh1 111.6(3) . . ?
N8 C9 C10 121.6(5) . . ?
N8 C9 H9A 119.2 . . ?
C10 C9 H9A 119.2 . . ?
C11 C10 C9 118.3(5) . . ?
C11 C10 H10A 120.9 . . ?
C9 C10 H10A 120.9 . . ?
C10 C11 C12 120.1(5) . . ?
C10 C11 H11A 119.9 . . ?
C12 C11 H11A 119.9 . . ?
C11 C12 C7 120.0(5) . . ?
C11 C12 H12A 120.0 . . ?
C7 C12 H12A 120.0 . . ?
C14 C13 C18 119.2(5) . . ?
C14 C13 C5 118.3(5) . . ?
C18 C13 C5 122.5(4) . . ?
C17 C18 C13 119.2(5) . . ?
C17 C18 H18A 120.4 . . ?
C13 C18 H18A 120.4 . . ?
C16 C17 C18 121.3(5) . . ?
C16 C17 H17A 119.4 . . ?
C18 C17 H17A 119.4 . . ?
C17 C16 C15 119.7(5) . . ?
C17 C16 H16A 120.1 . . ?
C15 C16 H16A 120.1 . . ?
C16 C15 C14 120.1(5) . . ?
C16 C15 H15A 120.0 . . ?
C14 C15 H15A 120.0 . . ?
C13 C14 C15 120.5(5) . . ?
C13 C14 H14A 119.8 . . ?
C15 C14 H14A 119.8 . . ?
C24 C19 C20 119.3(5) . . ?
C24 C19 C4 119.2(4) . . ?
C20 C19 C4 121.6(5) . . ?
C19 C24 C23 120.5(5) . . ?
C19 C24 H24A 119.7 . . ?
C23 C24 H24A 119.7 . . ?
C22 C23 C24 119.7(5) . . ?
C22 C23 H23A 120.2 . . ?
C24 C23 H23A 120.2 . . ?
C21 C22 C23 120.4(5) . . ?
C21 C22 H22A 119.8 . . ?
C23 C22 H22A 119.8 . . ?
C22 C21 C20 120.6(5) . . ?
C22 C21 H21A 119.7 . . ?
C20 C21 H21A 119.7 . . ?
C21 C20 C19 119.5(5) . . ?
C21 C20 H20A 120.3 . . ?
C19 C20 H20A 120.3 . . ?
C30 C25 C26 119.1(5) . . ?
C30 C25 C3 120.9(4) . . ?
C26 C25 C3 120.0(4) . . ?
C27 C26 C25 120.0(5) . . ?
C27 C26 H26A 120.0 . . ?
C25 C26 H26A 120.0 . . ?
C28 C27 C26 120.0(5) . . ?
C28 C27 H27A 120.0 . . ?
C26 C27 H27A 120.0 . . ?
C27 C28 C29 119.8(5) . . ?
C27 C28 H28A 120.1 . . ?
C29 C28 H28A 120.1 . . ?
C30 C29 C28 120.6(5) . . ?
C30 C29 H29A 119.7 . . ?
C28 C29 H29A 119.7 . . ?
C29 C30 C25 120.3(5) . . ?
C29 C30 H30A 119.8 . . ?
C25 C30 H30A 119.8 . . ?
Cl51 C50 Cl52 109.9(4) . . ?
Cl51 C50 Cl53 110.8(4) . . ?
Cl52 C50 Cl53 110.9(4) . . ?
Cl51 C50 H50A 108.4 . . ?
Cl52 C50 H50A 108.4 . . ?
Cl53 C50 H50A 108.4 . . ?
Cl55 C54 Cl56 110.3(4) . . ?
Cl55 C54 Cl57 111.4(3) . . ?
Cl56 C54 Cl57 110.4(3) . . ?
Cl55 C54 H54A 108.2 . . ?
Cl56 C54 H54A 108.2 . . ?
Cl57 C54 H54A 108.2 . . ?
Cl60 C59 Cl62 110.7(3) . . ?
Cl60 C59 Cl61 110.0(3) . . ?
Cl62 C59 Cl61 110.0(3) . . ?
Cl60 C59 H59A 108.7 . . ?
Cl62 C59 H59A 108.7 . . ?
Cl61 C59 H59A 108.7 . . ?
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 N1 1.953(4) . ?
Rh1 C32 2.005(5) . ?
Rh1 N8 2.130(4) . ?
Rh1 Cl1 2.3230(13) . ?
Rh1 Cl2 2.3747(12) 5_655 ?
Rh1 Cl2 2.3866(12) . ?
Cl2 Rh1 2.3747(12) 5_655 ?
N1 C6 1.357(6) . ?
N1 C2 1.358(6) . ?
C2 C3 1.406(7) . ?
C2 C31 1.487(6) . ?
C3 C4 1.403(7) . ?
C3 C25 1.501(7) . ?
C4 C5 1.412(7) . ?
C4 C19 1.495(7) . ?
C5 C6 1.389(7) . ?
C5 C13 1.495(7) . ?
C6 C7 1.501(7) . ?
C31 C36 1.407(7) . ?
C31 C32 1.411(7) . ?
C32 C33 1.379(7) . ?
C33 C34 1.397(7) . ?
C33 H33A 0.9500 . ?
C34 C35 1.379(7) . ?
C34 H34A 0.9500 . ?
C35 C36 1.377(7) . ?
C35 H35A 0.9500 . ?
C36 H36A 0.9500 . ?
C7 N8 1.357(6) . ?
C7 C12 1.398(7) . ?
N8 C9 1.335(6) . ?
C9 C10 1.387(7) . ?
C9 H9A 0.9500 . ?
C10 C11 1.375(8) . ?
C10 H10A 0.9500 . ?
C11 C12 1.377(8) . ?
C11 H11A 0.9500 . ?
C12 H12A 0.9500 . ?
C13 C14 1.384(7) . ?
C13 C18 1.394(7) . ?
C18 C17 1.385(7) . ?
C18 H18A 0.9500 . ?
C17 C16 1.370(8) . ?
C17 H17A 0.9500 . ?
C16 C15 1.372(9) . ?
C16 H16A 0.9500 . ?
C15 C14 1.387(8) . ?
C15 H15A 0.9500 . ?
C14 H14A 0.9500 . ?
C19 C24 1.387(7) . ?
C19 C20 1.391(7) . ?
C24 C23 1.388(7) . ?
C24 H24A 0.9500 . ?
C23 C22 1.374(8) . ?
C23 H23A 0.9500 . ?
C22 C21 1.370(8) . ?
C22 H22A 0.9500 . ?
C21 C20 1.391(7) . ?
C21 H21A 0.9500 . ?
C20 H20A 0.9500 . ?
C25 C30 1.391(7) . ?
C25 C26 1.393(7) . ?
C26 C27 1.390(7) . ?
C26 H26A 0.9500 . ?
C27 C28 1.379(8) . ?
C27 H27A 0.9500 . ?
C28 C29 1.380(8) . ?
C28 H28A 0.9500 . ?
C29 C30 1.371(7) . ?
C29 H29A 0.9500 . ?
C30 H30A 0.9500 . ?
C50 Cl51 1.750(6) . ?
C50 Cl52 1.752(7) . ?
C50 Cl53 1.762(7) . ?
C50 H50A 1.0000 . ?
C54 Cl55 1.729(6) . ?
C54 Cl56 1.738(6) . ?
C54 Cl57 1.741(7) . ?
C54 H54A 1.0000 . ?
C59 Cl60 1.749(6) . ?
C59 Cl62 1.754(6) . ?
C59 Cl61 1.767(6) . ?
C59 H59A 1.0000 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 Rh1 Cl2 Rh1 -21.5(11) . . . 5_655 ?
C32 Rh1 Cl2 Rh1 92.44(14) . . . 5_655 ?
N8 Rh1 Cl2 Rh1 -88.67(12) . . . 5_655 ?
Cl1 Rh1 Cl2 Rh1 -178.28(5) . . . 5_655 ?
Cl2 Rh1 Cl2 Rh1 0.0 5_655 . . 5_655 ?
C32 Rh1 N1 C6 -173.4(4) . . . . ?
N8 Rh1 N1 C6 9.4(3) . . . . ?
Cl1 Rh1 N1 C6 98.1(3) . . . . ?
Cl2 Rh1 N1 C6 -80.1(3) 5_655 . . . ?
Cl2 Rh1 N1 C6 -58.6(13) . . . . ?
C32 Rh1 N1 C2 0.3(3) . . . . ?
N8 Rh1 N1 C2 -176.9(4) . . . . ?
Cl1 Rh1 N1 C2 -88.2(3) . . . . ?
Cl2 Rh1 N1 C2 93.7(3) 5_655 . . . ?
Cl2 Rh1 N1 C2 115.2(11) . . . . ?
C6 N1 C2 C3 -5.3(7) . . . . ?
Rh1 N1 C2 C3 -178.6(3) . . . . ?
C6 N1 C2 C31 172.9(4) . . . . ?
Rh1 N1 C2 C31 -0.4(5) . . . . ?
N1 C2 C3 C4 6.3(6) . . . . ?
C31 C2 C3 C4 -171.6(4) . . . . ?
N1 C2 C3 C25 -175.3(4) . . . . ?
C31 C2 C3 C25 6.9(7) . . . . ?
C2 C3 C4 C5 -0.3(7) . . . . ?
C25 C3 C4 C5 -178.8(4) . . . . ?
C2 C3 C4 C19 -179.7(4) . . . . ?
C25 C3 C4 C19 1.7(7) . . . . ?
C3 C4 C5 C6 -7.0(7) . . . . ?
C19 C4 C5 C6 172.5(4) . . . . ?
C3 C4 C5 C13 169.8(4) . . . . ?
C19 C4 C5 C13 -10.7(7) . . . . ?
C2 N1 C6 C5 -2.1(7) . . . . ?
Rh1 N1 C6 C5 171.2(3) . . . . ?
C2 N1 C6 C7 175.9(4) . . . . ?
Rh1 N1 C6 C7 -10.8(5) . . . . ?
C4 C5 C6 N1 8.1(7) . . . . ?
C13 C5 C6 N1 -168.6(4) . . . . ?
C4 C5 C6 C7 -169.6(5) . . . . ?
C13 C5 C6 C7 13.7(8) . . . . ?
N1 C2 C31 C36 -178.2(4) . . . . ?
C3 C2 C31 C36 -0.3(8) . . . . ?
N1 C2 C31 C32 0.3(6) . . . . ?
C3 C2 C31 C32 178.3(4) . . . . ?
C36 C31 C32 C33 -2.8(7) . . . . ?
C2 C31 C32 C33 178.6(4) . . . . ?
C36 C31 C32 Rh1 178.6(3) . . . . ?
C2 C31 C32 Rh1 0.0(5) . . . . ?
N1 Rh1 C32 C33 -178.6(5) . . . . ?
N8 Rh1 C32 C33 -169.5(5) . . . . ?
Cl1 Rh1 C32 C33 -84.5(4) . . . . ?
Cl2 Rh1 C32 C33 92.6(4) 5_655 . . . ?
Cl2 Rh1 C32 C33 6.9(5) . . . . ?
N1 Rh1 C32 C31 -0.2(3) . . . . ?
N8 Rh1 C32 C31 9.0(8) . . . . ?
Cl1 Rh1 C32 C31 93.9(3) . . . . ?
Cl2 Rh1 C32 C31 -89.0(3) 5_655 . . . ?
Cl2 Rh1 C32 C31 -174.6(3) . . . . ?
C31 C32 C33 C34 1.0(7) . . . . ?
Rh1 C32 C33 C34 179.4(4) . . . . ?
C32 C33 C34 C35 1.6(8) . . . . ?
C33 C34 C35 C36 -2.4(8) . . . . ?
C34 C35 C36 C31 0.6(8) . . . . ?
C32 C31 C36 C35 2.0(7) . . . . ?
C2 C31 C36 C35 -179.5(4) . . . . ?
N1 C6 C7 N8 5.1(6) . . . . ?
C5 C6 C7 N8 -177.1(5) . . . . ?
N1 C6 C7 C12 -170.8(5) . . . . ?
C5 C6 C7 C12 7.0(8) . . . . ?
C12 C7 N8 C9 1.4(7) . . . . ?
C6 C7 N8 C9 -174.8(4) . . . . ?
C12 C7 N8 Rh1 178.4(4) . . . . ?
C6 C7 N8 Rh1 2.2(5) . . . . ?
N1 Rh1 N8 C9 170.7(4) . . . . ?
C32 Rh1 N8 C9 161.5(5) . . . . ?
Cl1 Rh1 N8 C9 76.7(4) . . . . ?
Cl2 Rh1 N8 C9 -99.9(4) 5_655 . . . ?
Cl2 Rh1 N8 C9 -14.9(4) . . . . ?
N1 Rh1 N8 C7 -6.0(3) . . . . ?
C32 Rh1 N8 C7 -15.2(8) . . . . ?
Cl1 Rh1 N8 C7 -100.1(3) . . . . ?
Cl2 Rh1 N8 C7 83.4(3) 5_655 . . . ?
Cl2 Rh1 N8 C7 168.4(3) . . . . ?
C7 N8 C9 C10 -1.6(8) . . . . ?
Rh1 N8 C9 C10 -178.0(4) . . . . ?
N8 C9 C10 C11 -0.1(8) . . . . ?
C9 C10 C11 C12 1.8(9) . . . . ?
C10 C11 C12 C7 -1.9(9) . . . . ?
N8 C7 C12 C11 0.3(8) . . . . ?
C6 C7 C12 C11 176.1(5) . . . . ?
C6 C5 C13 C14 69.6(7) . . . . ?
C4 C5 C13 C14 -107.0(6) . . . . ?
C6 C5 C13 C18 -109.5(6) . . . . ?
C4 C5 C13 C18 73.9(6) . . . . ?
C14 C13 C18 C17 -2.5(7) . . . . ?
C5 C13 C18 C17 176.6(5) . . . . ?
C13 C18 C17 C16 1.5(8) . . . . ?
C18 C17 C16 C15 -0.3(9) . . . . ?
C17 C16 C15 C14 0.0(9) . . . . ?
C18 C13 C14 C15 2.3(8) . . . . ?
C5 C13 C14 C15 -176.9(5) . . . . ?
C16 C15 C14 C13 -1.0(9) . . . . ?
C3 C4 C19 C24 77.6(6) . . . . ?
C5 C4 C19 C24 -101.9(6) . . . . ?
C3 C4 C19 C20 -101.5(6) . . . . ?
C5 C4 C19 C20 79.1(6) . . . . ?
C20 C19 C24 C23 0.9(8) . . . . ?
C4 C19 C24 C23 -178.1(5) . . . . ?
C19 C24 C23 C22 0.4(8) . . . . ?
C24 C23 C22 C21 -0.7(9) . . . . ?
C23 C22 C21 C20 -0.3(9) . . . . ?
C22 C21 C20 C19 1.6(8) . . . . ?
C24 C19 C20 C21 -1.8(8) . . . . ?
C4 C19 C20 C21 177.2(5) . . . . ?
C4 C3 C25 C30 -104.6(5) . . . . ?
C2 C3 C25 C30 77.0(6) . . . . ?
C4 C3 C25 C26 75.3(6) . . . . ?
C2 C3 C25 C26 -103.2(6) . . . . ?
C30 C25 C26 C27 -1.4(7) . . . . ?
C3 C25 C26 C27 178.7(5) . . . . ?
C25 C26 C27 C28 0.3(8) . . . . ?
C26 C27 C28 C29 1.5(8) . . . . ?
C27 C28 C29 C30 -2.2(8) . . . . ?
C28 C29 C30 C25 1.2(8) . . . . ?
C26 C25 C30 C29 0.7(8) . . . . ?
C3 C25 C30 C29 -179.5(5) . . . . ?
