#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/27/1512709.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_1512709
loop_
_publ_author_name
'Dibakar Sardar'
'Papia Datta'
'Sanju Das'
'Biswarup Saha'
'Saheli Samanta'
'Debalina Bhattacharya'
'Parimal Karmakar'
'Chung-De Chen'
'Chun-Jung Chen'
'Chittaranjan Sinha'
_publ_section_title
;
 Synthesis, structure, DNA interaction and nuclease activity of
 rhodium(III)-arylazoimidazole complexes
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              98
_journal_page_last               106
_journal_volume                  393
_journal_year                    2012
_chemical_formula_sum            'C24 H28 Cl3 N8 O4 Rh'
_chemical_formula_weight         701.80
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 95.5870(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   12.9971(7)
_cell_length_b                   17.6354(7)
_cell_length_c                   37.9265(18)
_cell_measurement_reflns_used    10789
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      28.33
_cell_measurement_theta_min      1.75
_cell_volume                     8651.8(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0578
_diffrn_reflns_av_sigmaI/netI    0.0391
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -50
_diffrn_reflns_number            50536
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         1.08
_exptl_absorpt_coefficient_mu    0.84
_exptl_absorpt_correction_T_max  0.952
_exptl_absorpt_correction_T_min  0.708
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.616
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       lump
_exptl_crystal_F_000             4056
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.205
_refine_diff_density_min         -1.503
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.417
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     548
_refine_ls_number_reflns         10789
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.417
_refine_ls_R_factor_all          0.0800
_refine_ls_R_factor_gt           0.0732
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+99.7145P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1433
_refine_ls_wR_factor_ref         0.1456
_reflns_number_gt                9856
_reflns_number_total             10789
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-394-98-106.cif
_cod_data_source_block           07fe13lm
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               1512709
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
Rh1 Rh 0.5000 0.19823(3) 0.2500 0.02135(13) Uani 1 2 d S
Rh2 Rh 0.49288(3) 0.22656(2) 0.074730(10) 0.01649(9) Uani 1 1 d .
Cl1 Cl 0.52005(10) 0.14230(7) 0.02944(3) 0.0232(3) Uani 1 1 d .
Cl2 Cl 0.42619(10) 0.13147(7) 0.10824(4) 0.0232(3) Uani 1 1 d .
Cl3 Cl 1.0000 0.26267(12) 0.2500 0.0291(4) Uani 1 2 d S
Cl4 Cl 0.56023(13) 0.28786(7) 0.21237(4) 0.0345(3) Uani 1 1 d .
Cl5 Cl 1.02581(10) 0.14590(9) 0.08250(5) 0.0354(3) Uani 1 1 d .
O1 O 0.9883(5) 0.2157(3) 0.21901(15) 0.0624(16) Uani 1 1 d .
O2 O 0.9102(4) 0.3095(3) 0.25067(14) 0.0495(13) Uani 1 1 d .
O3 O 0.9339(4) 0.1076(4) 0.0745(2) 0.076(2) Uani 1 1 d .
O4 O 1.0221(5) 0.2108(4) 0.0633(4) 0.193(7) Uani 1 1 d .
O5 O 1.0347(6) 0.1623(9) 0.1176(3) 0.209(8) Uani 1 1 d .
O6 O 1.1137(3) 0.1015(3) 0.07461(13) 0.0381(11) Uani 1 1 d .
N1 N 0.4919(3) 0.3034(3) 0.11513(11) 0.0194(9) Uani 1 1 d .
N2 N 0.5321(3) 0.3184(2) 0.04538(10) 0.0160(8) Uani 1 1 d .
N3 N 0.4577(3) 0.3598(2) 0.03106(11) 0.0193(9) Uani 1 1 d .
N4 N 0.5784(3) 0.3169(3) 0.13338(12) 0.0212(9) Uani 1 1 d .
N5 N 0.6348(3) 0.2133(3) 0.10031(11) 0.0202(9) Uani 1 1 d .
N6 N 0.7504(3) 0.2610(3) 0.14072(13) 0.0280(11) Uani 1 1 d .
N7 N 0.3550(3) 0.2594(2) 0.05097(11) 0.0167(8) Uani 1 1 d .
N8 N 0.2707(3) 0.3535(2) 0.02239(11) 0.0184(8) Uani 1 1 d .
N9 N 0.4500(3) 0.0853(3) 0.19627(12) 0.0220(9) Uani 1 1 d .
N10 N 0.5278(3) 0.1118(2) 0.21600(11) 0.0191(9) Uani 1 1 d .
N11 N 0.3653(4) 0.1908(3) 0.21974(12) 0.0253(10) Uani 1 1 d .
N12 N 0.2712(4) 0.1204(3) 0.18027(13) 0.0292(11) Uani 1 1 d .
C1 C 0.4078(4) 0.3518(3) 0.12055(13) 0.0204(10) Uani 1 1 d .
C2 C 0.4202(4) 0.4304(3) 0.12156(14) 0.0223(11) Uani 1 1 d .
H2 H 0.4848 0.4521 0.1201 0.027 Uiso 1 1 calc R
C3 C 0.3341(4) 0.4755(3) 0.12476(15) 0.0241(11) Uani 1 1 d .
H3 H 0.3415 0.5279 0.1250 0.029 Uiso 1 1 calc R
C4 C 0.2365(4) 0.4440(3) 0.12764(14) 0.0241(11) Uani 1 1 d .
C5 C 0.1437(4) 0.4948(3) 0.12973(16) 0.0264(12) Uani 1 1 d .
H5A H 0.1225 0.5151 0.1067 0.040 Uiso 1 1 calc R
H5B H 0.1615 0.5356 0.1459 0.040 Uiso 1 1 calc R
H5C H 0.0880 0.4659 0.1379 0.040 Uiso 1 1 calc R
C6 C 0.2274(4) 0.3650(3) 0.12786(14) 0.0243(11) Uani 1 1 d .
H6 H 0.1636 0.3431 0.1306 0.029 Uiso 1 1 calc R
C7 C 0.3121(4) 0.3189(3) 0.12409(14) 0.0220(10) Uani 1 1 d .
H7 H 0.3049 0.2665 0.1239 0.026 Uiso 1 1 calc R
C8 C 0.6328(4) 0.3503(3) 0.04694(13) 0.0182(10) Uani 1 1 d .
C9 C 0.7142(4) 0.3017(3) 0.04009(13) 0.0199(10) Uani 1 1 d .
H9 H 0.7012 0.2518 0.0331 0.024 Uiso 1 1 calc R
C10 C 0.8147(4) 0.3298(3) 0.04394(14) 0.0226(11) Uani 1 1 d .
H10 H 0.8689 0.2987 0.0386 0.027 Uiso 1 1 calc R
C11 C 0.8354(4) 0.4033(3) 0.05550(14) 0.0219(11) Uani 1 1 d .
C12 C 0.7529(4) 0.4503(3) 0.06241(14) 0.0221(11) Uani 1 1 d .
H12 H 0.7663 0.4996 0.0702 0.027 Uiso 1 1 calc R
C13 C 0.6516(4) 0.4246(3) 0.05778(14) 0.0197(10) Uani 1 1 d .
H13 H 0.5972 0.4567 0.0619 0.024 Uiso 1 1 calc R
C14 C 0.6520(4) 0.2656(3) 0.12523(14) 0.0231(11) Uani 1 1 d .
C15 C 0.3652(4) 0.3255(3) 0.03442(13) 0.0188(10) Uani 1 1 d .
C16 C 0.1997(4) 0.3027(3) 0.03191(14) 0.0214(10) Uani 1 1 d .
H16 H 0.1283 0.3066 0.0273 0.026 Uiso 1 1 calc R
C17 C 0.2526(4) 0.2443(3) 0.04968(13) 0.0191(10) Uani 1 1 d .
H17 H 0.2231 0.2018 0.0592 0.023 Uiso 1 1 calc R
C18 C 0.7234(4) 0.1728(3) 0.09945(16) 0.0271(12) Uani 1 1 d .
H18 H 0.7336 0.1323 0.0844 0.032 Uiso 1 1 calc R
C19 C 0.7952(4) 0.2023(4) 0.12483(16) 0.0320(13) Uani 1 1 d .
H19 H 0.8626 0.1851 0.1302 0.038 Uiso 1 1 calc R
C20 C 0.9453(4) 0.4325(3) 0.05963(16) 0.0282(12) Uani 1 1 d .
H20A H 0.9891 0.3964 0.0727 0.042 Uiso 1 1 calc R
H20B H 0.9477 0.4799 0.0721 0.042 Uiso 1 1 calc R
H20C H 0.9689 0.4399 0.0367 0.042 Uiso 1 1 calc R
C21 C 0.2504(4) 0.4259(3) 0.00341(14) 0.0215(10) Uani 1 1 d .
H21A H 0.1874 0.4215 -0.0124 0.026 Uiso 1 1 calc R
H21B H 0.3068 0.4367 -0.0108 0.026 Uiso 1 1 calc R
C22 C 0.2397(5) 0.4903(3) 0.02910(16) 0.0345(14) Uani 1 1 d .
H22A H 0.1835 0.4798 0.0430 0.052 Uiso 1 1 calc R
H22B H 0.2260 0.5366 0.0162 0.052 Uiso 1 1 calc R
H22C H 0.3026 0.4954 0.0444 0.052 Uiso 1 1 calc R
C23 C 0.7992(4) 0.3095(4) 0.16927(16) 0.0368(15) Uani 1 1 d .
H23A H 0.8298 0.2779 0.1884 0.044 Uiso 1 1 calc R
H23B H 0.7471 0.3412 0.1785 0.044 Uiso 1 1 calc R
C24 C 0.8817(5) 0.3590(4) 0.1556(2) 0.0446(17) Uani 1 1 d .
H24A H 0.9324 0.3276 0.1459 0.067 Uiso 1 1 calc R
H24B H 0.9145 0.3887 0.1747 0.067 Uiso 1 1 calc R
H24C H 0.8507 0.3920 0.1375 0.067 Uiso 1 1 calc R
C25 C 0.6202(4) 0.0691(3) 0.21702(13) 0.0204(10) Uani 1 1 d .
C26 C 0.3645(4) 0.1299(3) 0.19859(14) 0.0233(11) Uani 1 1 d .
C27 C 0.6164(4) -0.0098(3) 0.21900(15) 0.0255(11) Uani 1 1 d .
H27 H 0.5539 -0.0349 0.2201 0.031 Uiso 1 1 calc R
C28 C 0.8036(5) 0.0661(4) 0.21544(16) 0.0351(15) Uani 1 1 d .
H28 H 0.8661 0.0912 0.2141 0.042 Uiso 1 1 calc R
C29 C 0.8022(5) -0.0127(4) 0.21693(16) 0.0380(16) Uani 1 1 d .
C30 C 0.7082(5) -0.0496(4) 0.21923(17) 0.0361(15) Uani 1 1 d .
H30 H 0.7072 -0.1022 0.2210 0.043 Uiso 1 1 calc R
C31 C 0.2690(5) 0.2211(4) 0.21468(17) 0.0352(15) Uani 1 1 d .
H31 H 0.2465 0.2639 0.2260 0.042 Uiso 1 1 calc R
C32 C 0.8987(6) -0.0590(6) 0.2160(2) 0.065(3) Uani 1 1 d .
H32A H 0.8948 -0.0879 0.1945 0.097 Uiso 1 1 calc R
H32B H 0.9055 -0.0927 0.2360 0.097 Uiso 1 1 calc R
H32C H 0.9576 -0.0259 0.2170 0.097 Uiso 1 1 calc R
C33 C 0.7126(4) 0.1082(3) 0.21586(15) 0.0260(12) Uani 1 1 d .
H33 H 0.7139 0.1609 0.2154 0.031 Uiso 1 1 calc R
C34 C 0.2104(5) 0.1784(4) 0.19019(18) 0.0357(15) Uani 1 1 d .
H34 H 0.1418 0.1872 0.1818 0.043 Uiso 1 1 calc R
C35 C 0.2386(5) 0.0564(4) 0.15698(17) 0.0400(16) Uani 1 1 d .
H35A H 0.2991 0.0291 0.1508 0.048 Uiso 1 1 calc R
H35B H 0.2017 0.0754 0.1353 0.048 Uiso 1 1 calc R
C36 C 0.1696(7) 0.0033(5) 0.1752(2) 0.063(2) Uani 1 1 d .
H36A H 0.2055 -0.0142 0.1970 0.094 Uiso 1 1 calc R
H36B H 0.1516 -0.0393 0.1601 0.094 Uiso 1 1 calc R
H36C H 0.1079 0.0296 0.1801 0.094 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'
N N 0.0061 0.0033 '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
N11 Rh1 N11 172.4(3) 2_655 .
N11 Rh1 N10 96.53(18) 2_655 .
N11 Rh1 N10 77.79(18) . .
N11 Rh1 N10 77.79(18) 2_655 2_655
N11 Rh1 N10 96.53(18) . 2_655
N10 Rh1 N10 84.0(2) . 2_655
N11 Rh1 Cl4 91.20(14) 2_655 2_655
N11 Rh1 Cl4 93.96(14) . 2_655
N10 Rh1 Cl4 170.14(13) . 2_655
N10 Rh1 Cl4 91.65(12) 2_655 2_655
N11 Rh1 Cl4 93.96(14) 2_655 .
N11 Rh1 Cl4 91.20(14) . .
N10 Rh1 Cl4 91.64(12) . .
N10 Rh1 Cl4 170.14(13) 2_655 .
Cl4 Rh1 Cl4 93.94(7) 2_655 .
N7 Rh2 N5 169.85(18) . .
N7 Rh2 N1 94.28(16) . .
N5 Rh2 N1 77.76(17) . .
N7 Rh2 N2 77.74(16) . .
N5 Rh2 N2 95.06(16) . .
N1 Rh2 N2 84.48(16) . .
N7 Rh2 Cl2 95.14(12) . .
N5 Rh2 Cl2 91.49(13) . .
N1 Rh2 Cl2 92.22(12) . .
N2 Rh2 Cl2 171.87(12) . .
N7 Rh2 Cl1 92.63(12) . .
N5 Rh2 Cl1 94.82(13) . .
N1 Rh2 Cl1 171.56(12) . .
N2 Rh2 Cl1 92.27(12) . .
Cl2 Rh2 Cl1 91.98(5) . .
O2 Cl3 O2 109.5(5) 2_755 .
O2 Cl3 O1 109.0(3) 2_755 2_755
O2 Cl3 O1 109.9(3) . 2_755
O2 Cl3 O1 109.9(3) 2_755 .
O2 Cl3 O1 109.0(3) . .
O1 Cl3 O1 109.5(5) 2_755 .
O4 Cl5 O5 110.1(9) . .
O4 Cl5 O3 108.0(6) . .
O5 Cl5 O3 108.0(6) . .
O4 Cl5 O6 109.6(4) . .
O5 Cl5 O6 109.0(4) . .
O3 Cl5 O6 112.1(3) . .
N4 N1 C1 117.2(4) . .
N4 N1 Rh2 117.3(3) . .
C1 N1 Rh2 124.6(3) . .
N3 N2 C8 116.3(4) . .
N3 N2 Rh2 117.3(3) . .
C8 N2 Rh2 124.4(3) . .
N2 N3 C15 110.0(4) . .
N1 N4 C14 110.4(4) . .
C14 N5 C18 107.4(4) . .
C14 N5 Rh2 110.3(3) . .
C18 N5 Rh2 142.1(4) . .
C14 N6 C19 106.3(5) . .
C14 N6 C23 127.2(5) . .
C19 N6 C23 126.6(5) . .
C15 N7 C17 107.2(4) . .
C15 N7 Rh2 109.7(3) . .
C17 N7 Rh2 142.1(4) . .
C16 N8 C15 106.6(4) . .
C16 N8 C21 127.3(4) . .
C15 N8 C21 126.1(4) . .
N10 N9 C26 110.6(5) . .
N9 N10 C25 116.1(4) . .
N9 N10 Rh1 117.3(3) . .
C25 N10 Rh1 125.4(3) . .
C26 N11 C31 106.1(5) . .
C26 N11 Rh1 110.6(4) . .
C31 N11 Rh1 142.9(5) . .
C26 N12 C34 106.3(5) . .
C26 N12 C35 126.6(5) . .
C34 N12 C35 126.8(5) . .
C7 C1 C2 120.9(5) . .
C7 C1 N1 118.2(5) . .
C2 C1 N1 120.9(5) . .
C3 C2 C1 118.7(5) . .
C3 C2 H2 120.7 . .
C1 C2 H2 120.7 . .
C2 C3 C4 121.7(5) . .
C2 C3 H3 119.2 . .
C4 C3 H3 119.2 . .
C6 C4 C3 118.2(5) . .
C6 C4 C5 121.4(5) . .
C3 C4 C5 120.3(5) . .
C4 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C4 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C7 C6 C4 121.0(5) . .
C7 C6 H6 119.5 . .
C4 C6 H6 119.5 . .
C6 C7 C1 119.4(5) . .
C6 C7 H7 120.3 . .
C1 C7 H7 120.3 . .
C13 C8 C9 121.1(5) . .
C13 C8 N2 121.4(4) . .
C9 C8 N2 117.3(5) . .
C10 C9 C8 118.6(5) . .
C10 C9 H9 120.7 . .
C8 C9 H9 120.7 . .
C11 C10 C9 121.2(5) . .
C11 C10 H10 119.4 . .
C9 C10 H10 119.4 . .
C10 C11 C12 118.9(5) . .
C10 C11 C20 120.3(5) . .
C12 C11 C20 120.7(5) . .
C13 C12 C11 121.2(5) . .
C13 C12 H12 119.4 . .
C11 C12 H12 119.4 . .
C12 C13 C8 118.9(5) . .
C12 C13 H13 120.6 . .
C8 C13 H13 120.6 . .
N5 C14 N6 110.7(5) . .
N5 C14 N4 123.2(4) . .
N6 C14 N4 126.1(5) . .
N7 C15 N8 110.3(4) . .
N7 C15 N3 124.0(4) . .
N8 C15 N3 125.7(5) . .
N8 C16 C17 107.6(4) . .
N8 C16 H16 126.2 . .
C17 C16 H16 126.2 . .
N7 C17 C16 108.2(5) . .
N7 C17 H17 125.9 . .
C16 C17 H17 125.9 . .
N5 C18 C19 107.6(5) . .
N5 C18 H18 126.2 . .
C19 C18 H18 126.2 . .
N6 C19 C18 107.9(5) . .
N6 C19 H19 126.0 . .
C18 C19 H19 126.0 . .
C11 C20 H20A 109.5 . .
C11 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C11 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
N8 C21 C22 111.0(4) . .
N8 C21 H21A 109.4 . .
C22 C21 H21A 109.4 . .
N8 C21 H21B 109.4 . .
C22 C21 H21B 109.4 . .
H21A C21 H21B 108.0 . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
N6 C23 C24 110.6(5) . .
N6 C23 H23A 109.5 . .
C24 C23 H23A 109.5 . .
N6 C23 H23B 109.5 . .
C24 C23 H23B 109.5 . .
H23A C23 H23B 108.1 . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C33 C25 C27 122.2(5) . .
C33 C25 N10 117.9(5) . .
C27 C25 N10 119.9(5) . .
N11 C26 N12 111.2(5) . .
N11 C26 N9 122.6(5) . .
N12 C26 N9 126.2(5) . .
C30 C27 C25 118.1(6) . .
C30 C27 H27 120.9 . .
C25 C27 H27 120.9 . .
C29 C28 C33 121.0(6) . .
C29 C28 H28 119.5 . .
C33 C28 H28 119.5 . .
C28 C29 C30 119.0(5) . .
C28 C29 C32 121.9(7) . .
C30 C29 C32 119.1(7) . .
C27 C30 C29 121.5(6) . .
C27 C30 H30 119.3 . .
C29 C30 H30 119.3 . .
N11 C31 C34 108.9(6) . .
N11 C31 H31 125.6 . .
C34 C31 H31 125.6 . .
C29 C32 H32A 109.5 . .
C29 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C29 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C25 C33 C28 118.2(6) . .
C25 C33 H33 120.9 . .
C28 C33 H33 120.9 . .
N12 C34 C31 107.4(5) . .
N12 C34 H34 126.3 . .
C31 C34 H34 126.3 . .
N12 C35 C36 110.5(6) . .
N12 C35 H35A 109.5 . .
C36 C35 H35A 109.5 . .
N12 C35 H35B 109.5 . .
C36 C35 H35B 109.5 . .
H35A C35 H35B 108.1 . .
C35 C36 H36A 109.5 . .
C35 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C35 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 N11 2.002(5) 2_655
Rh1 N11 2.002(5) .
Rh1 N10 2.051(4) .
Rh1 N10 2.051(4) 2_655
Rh1 Cl4 2.3164(14) 2_655
Rh1 Cl4 2.3164(14) .
Rh2 N7 2.011(4) .
Rh2 N5 2.013(4) .
Rh2 N1 2.047(4) .
Rh2 N2 2.057(4) .
Rh2 Cl2 2.3224(13) .
Rh2 Cl1 2.3242(13) .
Cl3 O2 1.432(5) 2_755
Cl3 O2 1.432(5) .
Cl3 O1 1.434(5) 2_755
Cl3 O1 1.434(5) .
Cl5 O4 1.356(8) .
Cl5 O5 1.356(8) .
Cl5 O3 1.380(5) .
Cl5 O6 1.441(4) .
N1 N4 1.284(6) .
N1 C1 1.418(7) .
N2 N3 1.289(6) .
N2 C8 1.421(6) .
N3 C15 1.363(6) .
N4 C14 1.374(7) .
N5 C14 1.324(7) .
N5 C18 1.358(7) .
N6 C14 1.356(6) .
N6 C19 1.358(8) .
N6 C23 1.473(8) .
N7 C15 1.336(7) .
N7 C17 1.354(6) .
N8 C16 1.360(7) .
N8 C15 1.361(6) .
N8 C21 1.477(7) .
N9 N10 1.286(6) .
N9 C26 1.371(7) .
N10 C25 1.415(6) .
N11 C26 1.339(7) .
N11 C31 1.358(7) .
N12 C26 1.348(7) .
N12 C34 1.367(8) .
N12 C35 1.470(9) .
C1 C7 1.390(7) .
C1 C2 1.395(7) .
C2 C3 1.387(8) .
C2 H2 0.9300 .
C3 C4 1.399(7) .
C3 H3 0.9300 .
C4 C6 1.398(8) .
C4 C5 1.510(7) .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C6 C7 1.387(7) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C13 1.389(7) .
C8 C9 1.405(7) .
C9 C10 1.391(7) .
C9 H9 0.9300 .
C10 C11 1.386(8) .
C10 H10 0.9300 .
C11 C12 1.400(7) .
C11 C20 1.512(7) .
C12 C13 1.387(7) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C16 C17 1.377(7) .
C16 H16 0.9300 .
C17 H17 0.9300 .
C18 C19 1.376(8) .
C18 H18 0.9300 .
C19 H19 0.9300 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 C22 1.512(8) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 C24 1.514(9) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 C33 1.389(7) .
C25 C27 1.393(7) .
C27 C30 1.384(8) .
C27 H27 0.9300 .
C28 C29 1.391(10) .
C28 C33 1.397(8) .
C28 H28 0.9300 .
C29 C30 1.395(10) .
C29 C32 1.500(8) .
C30 H30 0.9300 .
C31 C34 1.368(10) .
C31 H31 0.9300 .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
C33 H33 0.9300 .
C34 H34 0.9300 .
C35 C36 1.510(10) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
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
N7 Rh2 N1 N4 -163.3(4) .
N5 Rh2 N1 N4 10.3(4) .
N2 Rh2 N1 N4 -86.1(4) .
Cl2 Rh2 N1 N4 101.4(4) .
Cl1 Rh2 N1 N4 -18.4(11) .
N7 Rh2 N1 C1 5.4(4) .
N5 Rh2 N1 C1 179.0(4) .
N2 Rh2 N1 C1 82.6(4) .
Cl2 Rh2 N1 C1 -89.9(4) .
Cl1 Rh2 N1 C1 150.3(7) .
N7 Rh2 N2 N3 10.5(3) .
N5 Rh2 N2 N3 -162.3(4) .
N1 Rh2 N2 N3 -85.1(4) .
Cl2 Rh2 N2 N3 -18.8(11) .
Cl1 Rh2 N2 N3 102.7(3) .
N7 Rh2 N2 C8 173.9(4) .
N5 Rh2 N2 C8 1.2(4) .
N1 Rh2 N2 C8 78.3(4) .
Cl2 Rh2 N2 C8 144.6(7) .
Cl1 Rh2 N2 C8 -93.9(4) .
C8 N2 N3 C15 -174.2(4) .
Rh2 N2 N3 C15 -9.4(5) .
C1 N1 N4 C14 -180.0(4) .
Rh2 N1 N4 C14 -10.4(5) .
N7 Rh2 N5 C14 31.7(11) .
N1 Rh2 N5 C14 -7.2(3) .
N2 Rh2 N5 C14 76.0(4) .
Cl2 Rh2 N5 C14 -99.2(3) .
Cl1 Rh2 N5 C14 168.7(3) .
N7 Rh2 N5 C18 -141.5(9) .
N1 Rh2 N5 C18 179.6(6) .
N2 Rh2 N5 C18 -97.2(6) .
Cl2 Rh2 N5 C18 87.6(6) .
Cl1 Rh2 N5 C18 -4.5(6) .
N5 Rh2 N7 C15 37.0(11) .
N1 Rh2 N7 C15 75.0(3) .
N2 Rh2 N7 C15 -8.4(3) .
Cl2 Rh2 N7 C15 167.6(3) .
Cl1 Rh2 N7 C15 -100.1(3) .
N5 Rh2 N7 C17 -129.9(9) .
N1 Rh2 N7 C17 -91.9(6) .
N2 Rh2 N7 C17 -175.3(6) .
Cl2 Rh2 N7 C17 0.7(6) .
Cl1 Rh2 N7 C17 92.9(6) .
C26 N9 N10 C25 177.6(4) .
C26 N9 N10 Rh1 9.3(5) .
N11 Rh1 N10 N9 164.8(4) 2_655
N11 Rh1 N10 N9 -10.2(4) .
N10 Rh1 N10 N9 87.8(4) 2_655
Cl4 Rh1 N10 N9 23.4(10) 2_655
Cl4 Rh1 N10 N9 -101.1(4) .
N11 Rh1 N10 C25 -2.3(4) 2_655
N11 Rh1 N10 C25 -177.2(4) .
N10 Rh1 N10 C25 -79.2(4) 2_655
Cl4 Rh1 N10 C25 -143.6(6) 2_655
Cl4 Rh1 N10 C25 91.9(4) .
N11 Rh1 N11 C26 -33.6(4) 2_655
N10 Rh1 N11 C26 8.1(4) .
N10 Rh1 N11 C26 -74.4(4) 2_655
Cl4 Rh1 N11 C26 -166.5(4) 2_655
Cl4 Rh1 N11 C26 99.5(4) .
N11 Rh1 N11 C31 138.0(7) 2_655
N10 Rh1 N11 C31 179.6(7) .
N10 Rh1 N11 C31 97.2(7) 2_655
Cl4 Rh1 N11 C31 5.0(7) 2_655
Cl4 Rh1 N11 C31 -89.0(7) .
N4 N1 C1 C7 -134.9(5) .
Rh2 N1 C1 C7 56.3(6) .
N4 N1 C1 C2 46.4(7) .
Rh2 N1 C1 C2 -122.3(5) .
C7 C1 C2 C3 -2.5(8) .
N1 C1 C2 C3 176.1(5) .
C1 C2 C3 C4 1.2(8) .
C2 C3 C4 C6 1.1(8) .
C2 C3 C4 C5 -177.7(5) .
C3 C4 C6 C7 -2.2(8) .
C5 C4 C6 C7 176.6(5) .
C4 C6 C7 C1 0.9(8) .
C2 C1 C7 C6 1.5(8) .
N1 C1 C7 C6 -177.2(5) .
N3 N2 C8 C13 45.3(6) .
Rh2 N2 C8 C13 -118.3(5) .
N3 N2 C8 C9 -140.2(5) .
Rh2 N2 C8 C9 56.2(6) .
C13 C8 C9 C10 -0.8(8) .
N2 C8 C9 C10 -175.4(5) .
C8 C9 C10 C11 2.3(8) .
C9 C10 C11 C12 -1.8(8) .
C9 C10 C11 C20 179.8(5) .
C10 C11 C12 C13 -0.1(8) .
C20 C11 C12 C13 178.3(5) .
C11 C12 C13 C8 1.6(8) .
C9 C8 C13 C12 -1.1(8) .
N2 C8 C13 C12 173.2(5) .
C18 N5 C14 N6 0.5(6) .
Rh2 N5 C14 N6 -175.1(3) .
C18 N5 C14 N4 -179.9(5) .
Rh2 N5 C14 N4 4.5(6) .
C19 N6 C14 N5 -0.9(6) .
C23 N6 C14 N5 179.5(5) .
C19 N6 C14 N4 179.5(5) .
C23 N6 C14 N4 0.0(9) .
N1 N4 C14 N5 3.8(7) .
N1 N4 C14 N6 -176.7(5) .
C17 N7 C15 N8 0.0(6) .
Rh2 N7 C15 N8 -171.7(3) .
C17 N7 C15 N3 178.6(5) .
Rh2 N7 C15 N3 7.0(6) .
C16 N8 C15 N7 0.0(6) .
C21 N8 C15 N7 178.8(4) .
C16 N8 C15 N3 -178.6(5) .
C21 N8 C15 N3 0.2(8) .
N2 N3 C15 N7 1.4(7) .
N2 N3 C15 N8 179.8(5) .
C15 N8 C16 C17 0.0(6) .
C21 N8 C16 C17 -178.8(5) .
C15 N7 C17 C16 0.0(6) .
Rh2 N7 C17 C16 167.2(4) .
N8 C16 C17 N7 0.0(6) .
C14 N5 C18 C19 0.0(6) .
Rh2 N5 C18 C19 173.4(5) .
C14 N6 C19 C18 0.9(6) .
C23 N6 C19 C18 -179.5(5) .
N5 C18 C19 N6 -0.6(7) .
C16 N8 C21 C22 89.9(6) .
C15 N8 C21 C22 -88.7(6) .
C14 N6 C23 C24 -111.6(7) .
C19 N6 C23 C24 68.9(8) .
N9 N10 C25 C33 138.0(5) .
Rh1 N10 C25 C33 -54.8(6) .
N9 N10 C25 C27 -41.8(7) .
Rh1 N10 C25 C27 125.4(5) .
C31 N11 C26 N12 0.0(6) .
Rh1 N11 C26 N12 174.7(4) .
C31 N11 C26 N9 178.9(5) .
Rh1 N11 C26 N9 -6.4(6) .
C34 N12 C26 N11 0.3(6) .
C35 N12 C26 N11 -174.2(5) .
C34 N12 C26 N9 -178.5(5) .
C35 N12 C26 N9 6.9(9) .
N10 N9 C26 N11 -1.9(7) .
N10 N9 C26 N12 176.9(5) .
C33 C25 C27 C30 -1.0(9) .
N10 C25 C27 C30 178.7(5) .
C33 C28 C29 C30 -0.7(9) .
C33 C28 C29 C32 179.2(6) .
C25 C27 C30 C29 -1.1(9) .
C28 C29 C30 C27 2.0(10) .
C32 C29 C30 C27 -177.9(6) .
C26 N11 C31 C34 -0.4(6) .
Rh1 N11 C31 C34 -172.1(5) .
C27 C25 C33 C28 2.3(8) .
N10 C25 C33 C28 -177.5(5) .
C29 C28 C33 C25 -1.4(9) .
C26 N12 C34 C31 -0.6(7) .
C35 N12 C34 C31 174.0(6) .
N11 C31 C34 N12 0.6(7) .
C26 N12 C35 C36 103.5(7) .
C34 N12 C35 C36 -69.9(8) .
