#------------------------------------------------------------------------------
#$Date: 2016-03-23 04:05:21 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179276 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/96/4319668.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_4319668
loop_
_publ_author_name
'James E. Redman'
'Neil Feeder'
'Simon J. Teat'
'Jeremy K. M. Sanders'
_publ_contact_author
;
  Jeremy K. M. Sanders
  University Chemical Laboratory
  University of Cambridge
  Lensfield Road
  Cambridge, CB2 1EW
  UK
;
_publ_contact_author_email       jkms@cam.ac.uk
_publ_contact_author_fax         44(1223)336017
_publ_contact_author_phone       44(1223)336411
_publ_section_title
;
 Rh(III) Porphyrins as Building Blocks for Porphyrin Coordination Arrays:
 From Dimers to Heterometallic Undecamers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2486
_journal_page_last               2499
_journal_paper_doi               10.1021/ic001038f
_journal_volume                  40
_journal_year                    2001
_chemical_formula_moiety         'C128 H158 I2 N12 Rh2, 2(C H2 Cl2)'
_chemical_formula_sum            'C130 H162 Cl4 I2 N12 Rh2'
_chemical_formula_weight         2494.14
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                96.060(10)
_cell_angle_beta                 110.390(10)
_cell_angle_gamma                90.530(10)
_cell_formula_units_Z            1
_cell_length_a                   12.2300(10)
_cell_length_b                   15.2190(10)
_cell_length_c                   17.2930(10)
_cell_measurement_reflns_used    18294
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.47
_cell_measurement_theta_min      3.08
_cell_volume                     2996.5(4)
_computing_cell_refinement       'Siemens SAINT'
_computing_data_reduction        'LSCELL (Clegg, 1997)'
_computing_molecular_graphics    'XP (Sheldrick, 1996)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    DIRDIF
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.531
_diffrn_measured_fraction_theta_max 0.531
_diffrn_measurement_device_type  'Siemens SMART CCD diffractometer'
_diffrn_measurement_method       'ω rotation with narrow frames'
_diffrn_radiation_monochromator  'silicon 111'
_diffrn_radiation_source         'Daresbury SRS station 9.8'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.6884
_diffrn_reflns_av_R_equivalents  0.0284
_diffrn_reflns_av_sigmaI/netI    0.0580
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            11438
_diffrn_reflns_theta_full        29.41
_diffrn_reflns_theta_max         29.41
_diffrn_reflns_theta_min         2.21
_exptl_absorpt_coefficient_mu    0.934
_exptl_absorpt_correction_T_max  0.9636
_exptl_absorpt_correction_T_min  0.8804
_exptl_absorpt_correction_type   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.382
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1290
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.280
_refine_diff_density_min         -1.954
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.565
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     674
_refine_ls_number_reflns         9678
_refine_ls_number_restraints     23
_refine_ls_restrained_S_all      1.572
_refine_ls_R_factor_all          0.0811
_refine_ls_R_factor_gt           0.0738
_refine_ls_shift/su_max          3.854
_refine_ls_shift/su_mean         0.190
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2056
_refine_ls_wR_factor_ref         0.2098
_reflns_number_gt                8403
_reflns_number_total             9678
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic001038f_10.cif
_cod_data_source_block           js9918
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4319668
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh -0.36866(3) 0.62163(2) 0.25225(2) 0.02080(14) Uani 1 1 d . . .
I1 I -0.52725(3) 0.71744(2) 0.15808(2) 0.02960(15) Uani 1 1 d . . .
C66 C -0.3416(14) -0.0408(11) 0.2367(9) 0.118(5) Uiso 0.50 1 d PD A 1
H66A H -0.3356 -0.1054 0.2387 0.142 Uiso 0.50 1 calc PR A 1
H66B H -0.4169 -0.0292 0.1941 0.142 Uiso 0.50 1 calc PR A 1
Cl1 Cl -0.219(2) 0.008(3) 0.217(2) 0.166(2) Uiso 0.50 1 d PD A 1
Cl2 Cl -0.3256(14) 0.0180(10) 0.3397(7) 0.166(2) Uiso 0.50 1 d PD A 1
C66' C -0.3416(14) -0.0408(11) 0.2367(9) 0.118(5) Uiso 0.50 1 d PD B 2
H66C H -0.4129 -0.0566 0.1873 0.142 Uiso 0.50 1 calc PR B 2
H66D H -0.3018 -0.0960 0.2527 0.142 Uiso 0.50 1 calc PR B 2
Cl1' Cl -0.3806(13) 0.0093(11) 0.3186(8) 0.166(2) Uiso 0.50 1 d PD B 2
Cl2' Cl -0.245(3) 0.034(3) 0.211(2) 0.166(2) Uiso 0.50 1 d PD B 2
N1 N -0.4708(4) 0.5080(3) 0.2051(3) 0.0246(10) Uani 1 1 d . . .
N2 N -0.2890(3) 0.6039(3) 0.1658(2) 0.0220(10) Uani 1 1 d . . .
N3 N -0.2601(4) 0.7306(3) 0.3027(3) 0.0291(11) Uani 1 1 d . . .
N4 N -0.4489(4) 0.6395(3) 0.3371(3) 0.0260(11) Uani 1 1 d . . .
C1 C -0.5911(5) 0.5125(4) 0.2926(3) 0.0275(12) Uani 1 1 d . . .
C2 C -0.5531(4) 0.4714(3) 0.2304(3) 0.0244(11) Uani 1 1 d . . .
C3 C -0.5962(5) 0.3848(4) 0.1817(4) 0.0308(13) Uani 1 1 d . . .
C4 C -0.5421(4) 0.3749(4) 0.1242(3) 0.0260(12) Uani 1 1 d . . .
C5 C -0.4652(4) 0.4521(3) 0.1388(3) 0.0245(11) Uani 1 1 d . . .
C6 C -0.3979(4) 0.4663(3) 0.0920(3) 0.0227(11) Uani 1 1 d . . .
H6 H -0.4070 0.4229 0.0462 0.027 Uiso 1 1 calc R . .
C7 C -0.3186(4) 0.5355(3) 0.1029(3) 0.0222(11) Uani 1 1 d . . .
C8 C -0.2510(4) 0.5445(4) 0.0507(3) 0.0253(12) Uani 1 1 d . . .
C9 C -0.1813(5) 0.6204(4) 0.0811(3) 0.0277(12) Uani 1 1 d . . .
C10 C -0.2049(4) 0.6565(4) 0.1558(3) 0.0239(12) Uani 1 1 d . . .
C11 C -0.1440(4) 0.7292(4) 0.2122(3) 0.0263(12) Uani 1 1 d . . .
C12 C -0.1689(4) 0.7619(4) 0.2826(3) 0.0274(13) Uani 1 1 d . . .
C13 C -0.1043(5) 0.8340(4) 0.3460(3) 0.0319(14) Uani 1 1 d . . .
C14 C -0.1596(5) 0.8442(4) 0.4016(4) 0.0368(16) Uani 1 1 d . . .
C15 C -0.2573(4) 0.7797(4) 0.3743(3) 0.0272(12) Uani 1 1 d . . .
C16 C -0.3350(5) 0.7733(4) 0.4144(3) 0.0300(13) Uani 1 1 d . . .
H16 H -0.3254 0.8171 0.4600 0.036 Uiso 1 1 calc R . .
C17 C -0.4267(5) 0.7106(4) 0.3968(3) 0.0280(13) Uani 1 1 d . . .
C18 C -0.5071(5) 0.7105(4) 0.4391(3) 0.0299(13) Uani 1 1 d . . .
C19 C -0.5821(5) 0.6382(4) 0.4055(3) 0.0336(14) Uani 1 1 d . . .
C20 C -0.5434(5) 0.5920(4) 0.3404(3) 0.0268(12) Uani 1 1 d . . .
C21 C -0.6802(7) 0.3163(4) 0.1896(5) 0.051(2) Uani 1 1 d . . .
H21A H -0.6948 0.2678 0.1446 0.077 Uiso 1 1 calc R . .
H21B H -0.7539 0.3433 0.1861 0.077 Uiso 1 1 calc R . .
H21C H -0.6466 0.2931 0.2433 0.077 Uiso 1 1 calc R . .
C22 C -0.1054(6) 0.6560(5) 0.0408(4) 0.0410(17) Uani 1 1 d . . .
H22A H -0.0235 0.6528 0.0761 0.061 Uiso 1 1 calc R . .
H22B H -0.1226 0.7178 0.0324 0.061 Uiso 1 1 calc R . .
H22C H -0.1196 0.6211 -0.0131 0.061 Uiso 1 1 calc R . .
C23 C 0.0022(6) 0.8873(5) 0.3516(4) 0.049(2) Uani 1 1 d . . .
H23A H 0.0259 0.9297 0.4019 0.073 Uiso 1 1 calc R . .
H23B H -0.0154 0.9193 0.3027 0.073 Uiso 1 1 calc R . .
H23C H 0.0657 0.8478 0.3537 0.073 Uiso 1 1 calc R . .
C24 C -0.6802(6) 0.6146(5) 0.4335(5) 0.050(2) Uani 1 1 d . . .
H24A H -0.6841 0.6604 0.4766 0.075 Uiso 1 1 calc R . .
H24B H -0.6668 0.5576 0.4560 0.075 Uiso 1 1 calc R . .
H24C H -0.7539 0.6104 0.3862 0.075 Uiso 1 1 calc R . .
C25 C -0.5583(5) 0.2997(4) 0.0574(4) 0.0349(15) Uani 1 1 d D . .
H25A H -0.5453 0.3223 0.0096 0.042 Uiso 1 1 calc R . .
H25B H -0.6398 0.2753 0.0384 0.042 Uiso 1 1 calc R . .
C26 C -0.4757(7) 0.2257(5) 0.0861(6) 0.060(2) Uani 1 1 d D . .
H26A H -0.3951 0.2477 0.0954 0.072 Uiso 1 1 calc R . .
H26B H -0.4779 0.2114 0.1401 0.072 Uiso 1 1 calc R . .
C27 C -0.5028(12) 0.1423(5) 0.0268(8) 0.109(6) Uani 1 1 d D . .
H27A H -0.4459 0.0982 0.0516 0.131 Uiso 1 1 calc R . .
H27B H -0.4914 0.1553 -0.0249 0.131 Uiso 1 1 calc R . .
C28 C -0.6248(13) 0.1013(8) 0.0041(7) 0.134(7) Uani 1 1 d D . .
H28A H -0.6431 0.0596 -0.0472 0.161 Uiso 1 1 calc R . .
H28B H -0.6817 0.1484 -0.0076 0.161 Uiso 1 1 calc R . .
C29 C -0.6384(14) 0.0518(12) 0.0733(9) 0.150(8) Uani 1 1 d D . .
H29A H -0.5807 0.0054 0.0861 0.180 Uiso 1 1 calc R . .
H29B H -0.6230 0.0936 0.1242 0.180 Uiso 1 1 calc R . .
C30 C -0.7620(19) 0.009(2) 0.0463(16) 0.231(15) Uani 1 1 d D . .
H30A H -0.8191 0.0553 0.0316 0.347 Uiso 1 1 calc R . .
H30B H -0.7708 -0.0193 0.0920 0.347 Uiso 1 1 calc R . .
H30C H -0.7753 -0.0346 -0.0020 0.347 Uiso 1 1 calc R . .
C31 C -0.2564(5) 0.4807(4) -0.0235(3) 0.0278(13) Uani 1 1 d . . .
H31A H -0.2462 0.5146 -0.0666 0.033 Uiso 1 1 calc R . .
H31B H -0.3348 0.4502 -0.0469 0.033 Uiso 1 1 calc R . .
C32 C -0.1651(5) 0.4118(4) -0.0040(3) 0.0304(13) Uani 1 1 d . D .
H32A H -0.0870 0.4425 0.0220 0.036 Uiso 1 1 calc R . .
H32B H -0.1675 0.3781 -0.0568 0.036 Uiso 1 1 calc R . .
C33 C -0.1795(5) 0.3463(5) 0.0536(4) 0.0375(16) Uani 1 1 d . . .
H33A H -0.1749 0.3796 0.1071 0.045 Uiso 1 1 calc R C 1
H33B H -0.2581 0.3163 0.0284 0.045 Uiso 1 1 calc R C 1
C34 C -0.0893(6) 0.2771(5) 0.0704(5) 0.0454(18) Uani 0.50 1 d P D 1
H34A H -0.0100 0.3059 0.0899 0.054 Uiso 0.50 1 calc PR D 1
H34B H -0.1002 0.2377 0.0187 0.054 Uiso 0.50 1 calc PR D 1
C35 C -0.1024(17) 0.2236(14) 0.1360(12) 0.056(5) Uiso 0.50 1 d P D 1
H35A H -0.0977 0.2645 0.1856 0.068 Uiso 0.50 1 calc PR D 1
H35B H -0.1808 0.1931 0.1144 0.068 Uiso 0.50 1 calc PR D 1
C36 C -0.012(2) 0.1554(16) 0.1618(15) 0.075(5) Uiso 0.50 1 d P D 1
H36A H -0.0277 0.1214 0.2021 0.113 Uiso 0.50 1 calc PR D 1
H36B H 0.0661 0.1852 0.1872 0.113 Uiso 0.50 1 calc PR D 1
H36C H -0.0141 0.1153 0.1129 0.113 Uiso 0.50 1 calc PR D 1
C34' C -0.0893(6) 0.2771(5) 0.0704(5) 0.0454(18) Uani 0.50 1 d P D 2
H34C H -0.0842 0.2515 0.0168 0.054 Uiso 0.50 1 calc PR D 2
H34D H -0.0124 0.3064 0.1042 0.054 Uiso 0.50 1 calc PR D 2
C35' C -0.1123(14) 0.2038(12) 0.1139(10) 0.047(4) Uiso 0.50 1 d P D 2
H35C H -0.1913 0.1764 0.0827 0.056 Uiso 0.50 1 calc PR D 2
H35D H -0.1101 0.2278 0.1699 0.056 Uiso 0.50 1 calc PR D 2
C36' C -0.023(2) 0.1346(18) 0.1216(16) 0.083(6) Uiso 0.50 1 d P D 2
H36D H -0.0319 0.1056 0.0663 0.124 Uiso 0.50 1 calc PR D 2
H36E H -0.0350 0.0905 0.1557 0.124 Uiso 0.50 1 calc PR D 2
H36F H 0.0555 0.1626 0.1479 0.124 Uiso 0.50 1 calc PR D 2
C37 C -0.1254(6) 0.9039(4) 0.4817(4) 0.0444(19) Uani 1 1 d . . .
H37A H -0.0748 0.9539 0.4791 0.053 Uiso 1 1 calc R . .
H37B H -0.1966 0.9287 0.4884 0.053 Uiso 1 1 calc R . .
C38 C -0.0621(6) 0.8580(5) 0.5561(4) 0.051(2) Uani 1 1 d . F .
H38A H -0.1128 0.8082 0.5587 0.061 Uiso 1 1 calc R . .
H38B H -0.0471 0.9000 0.6069 0.061 Uiso 1 1 calc R . .
C39 C 0.0524(7) 0.8230(6) 0.5550(4) 0.059(2) Uani 1 1 d D . .
H39A H 0.1049 0.8736 0.5565 0.071 Uiso 1 1 calc R E 1
H39B H 0.0378 0.7851 0.5018 0.071 Uiso 1 1 calc R E 1
C40 C 0.1145(7) 0.7702(6) 0.6256(4) 0.066(3) Uani 0.50 1 d PD F 1
H40A H 0.1265 0.8078 0.6785 0.079 Uiso 0.50 1 calc PR F 1
H40B H 0.0622 0.7191 0.6230 0.079 Uiso 0.50 1 calc PR F 1
C41 C 0.2302(12) 0.7361(13) 0.6282(11) 0.055(4) Uiso 0.50 1 d PD F 1
H41A H 0.2864 0.7865 0.6366 0.066 Uiso 0.50 1 calc PR F 1
H41B H 0.2212 0.7011 0.5746 0.066 Uiso 0.50 1 calc PR F 1
C42 C 0.2779(17) 0.6776(12) 0.6994(11) 0.069(5) Uiso 0.50 1 d PD F 1
H42A H 0.3237 0.7147 0.7506 0.103 Uiso 0.50 1 calc PR F 1
H42B H 0.3277 0.6336 0.6849 0.103 Uiso 0.50 1 calc PR F 1
H42C H 0.2126 0.6473 0.7078 0.103 Uiso 0.50 1 calc PR F 1
C40' C 0.1145(7) 0.7702(6) 0.6256(4) 0.066(3) Uani 0.50 1 d PD F 2
H40C H 0.0592 0.7252 0.6305 0.079 Uiso 0.50 1 calc PR F 2
H40D H 0.1432 0.8101 0.6784 0.079 Uiso 0.50 1 calc PR F 2
C41' C 0.2180(19) 0.724(2) 0.6103(13) 0.097(12) Uiso 0.50 1 d PD F 2
H41C H 0.1878 0.6717 0.5690 0.116 Uiso 0.50 1 calc PR F 2
H41D H 0.2575 0.7654 0.5865 0.116 Uiso 0.50 1 calc PR F 2
C42' C 0.306(2) 0.696(2) 0.6882(16) 0.121(12) Uiso 0.50 1 d PD F 2
H42D H 0.3195 0.7433 0.7343 0.182 Uiso 0.50 1 calc PR F 2
H42E H 0.3798 0.6850 0.6792 0.182 Uiso 0.50 1 calc PR F 2
H42F H 0.2763 0.6421 0.7018 0.182 Uiso 0.50 1 calc PR F 2
C43 C -0.5142(6) 0.7795(5) 0.5060(4) 0.0413(17) Uani 1 1 d . . .
H43A H -0.4369 0.8110 0.5335 0.050 Uiso 1 1 calc R . .
H43B H -0.5329 0.7498 0.5485 0.050 Uiso 1 1 calc R . .
C44 C -0.6055(5) 0.8470(5) 0.4737(4) 0.0406(17) Uani 1 1 d . . .
H44A H -0.6826 0.8151 0.4467 0.049 Uiso 1 1 calc R . .
H44B H -0.6095 0.8867 0.5218 0.049 Uiso 1 1 calc R . .
C45 C -0.5847(7) 0.9030(5) 0.4130(4) 0.0461(19) Uani 1 1 d . . .
H45A H -0.5068 0.9338 0.4396 0.055 Uiso 1 1 calc R . .
H45B H -0.5826 0.8634 0.3644 0.055 Uiso 1 1 calc R . .
C46 C -0.6725(6) 0.9708(5) 0.3825(5) 0.051(2) Uani 1 1 d . . .
H46A H -0.6755 1.0099 0.4312 0.062 Uiso 1 1 calc R . .
H46B H -0.7503 0.9400 0.3552 0.062 Uiso 1 1 calc R . .
C47 C -0.6511(7) 1.0279(6) 0.3226(5) 0.054(2) Uani 1 1 d . . .
H47A H -0.5747 1.0607 0.3503 0.064 Uiso 1 1 calc R . .
H47B H -0.6462 0.9892 0.2743 0.064 Uiso 1 1 calc R . .
C48 C -0.7428(11) 1.0929(7) 0.2919(8) 0.085(4) Uani 1 1 d . . .
H48A H -0.8196 1.0616 0.2675 0.127 Uiso 1 1 calc R . .
H48B H -0.7268 1.1238 0.2498 0.127 Uiso 1 1 calc R . .
H48C H -0.7422 1.1360 0.3384 0.127 Uiso 1 1 calc R . .
C49 C -0.6944(6) 0.4691(4) 0.3026(4) 0.0411(17) Uani 1 1 d . . .
C50 C -0.8055(6) 0.4866(5) 0.2487(5) 0.055(2) Uani 1 1 d . . .
H50 H -0.8137 0.5272 0.2092 0.066 Uiso 1 1 calc R . .
C51 C -0.9033(8) 0.4441(7) 0.2534(8) 0.090(4) Uani 1 1 d . . .
H51 H -0.9785 0.4561 0.2166 0.107 Uiso 1 1 calc R . .
C52 C -0.8946(13) 0.3856(8) 0.3093(10) 0.130(6) Uani 1 1 d . . .
H52 H -0.9623 0.3563 0.3113 0.156 Uiso 1 1 calc R . .
C53 C -0.7825(14) 0.3697(6) 0.3641(9) 0.112(5) Uani 1 1 d . . .
H53 H -0.7756 0.3292 0.4035 0.134 Uiso 1 1 calc R . .
C54 C -0.6817(10) 0.4110(5) 0.3625(6) 0.066(3) Uani 1 1 d . . .
H54 H -0.6069 0.4002 0.4005 0.080 Uiso 1 1 calc R . .
C55 C -0.0372(5) 0.7654(4) 0.2009(3) 0.0298(13) Uani 1 1 d . . .
C56 C 0.0666(5) 0.7233(5) 0.2319(4) 0.0405(17) Uani 1 1 d . . .
H56 H 0.0691 0.6738 0.2616 0.049 Uiso 1 1 calc R . .
C57 C 0.1685(6) 0.7530(5) 0.2200(5) 0.051(2) Uani 1 1 d . . .
H57 H 0.2388 0.7230 0.2401 0.061 Uiso 1 1 calc R . .
C58 C 0.1649(6) 0.8257(5) 0.1790(5) 0.054(2) Uani 1 1 d . . .
H58 H 0.2332 0.8465 0.1710 0.064 Uiso 1 1 calc R . .
C59 C 0.0616(7) 0.8695(5) 0.1490(5) 0.053(2) Uani 1 1 d . . .
H59 H 0.0593 0.9204 0.1211 0.064 Uiso 1 1 calc R . .
C60 C -0.0390(6) 0.8376(5) 0.1604(4) 0.0430(17) Uani 1 1 d . . .
H60 H -0.1097 0.8669 0.1394 0.052 Uiso 1 1 calc R . .
N5 N -0.2361(4) 0.5568(3) 0.3369(3) 0.0271(11) Uani 1 1 d . . .
C61 C -0.2487(5) 0.5263(4) 0.4020(4) 0.0332(14) Uani 1 1 d . . .
H61 H -0.3254 0.5212 0.4035 0.040 Uiso 1 1 calc R G 1
C62 C -0.1596(5) 0.5020(4) 0.4669(3) 0.0359(14) Uani 0.50 1 d P H 1
H62 H -0.1727 0.4797 0.5123 0.043 Uiso 0.50 1 calc PR H 1
N6' N -0.1596(5) 0.5020(4) 0.4669(3) 0.0359(14) Uani 0.50 1 d P H 2
C63 C -0.0496(5) 0.5108(4) 0.4642(3) 0.0291(13) Uani 1 1 d . . .
N6 N -0.0324(5) 0.5389(4) 0.3981(3) 0.0342(13) Uani 0.50 1 d P H 1
C64 C -0.0324(5) 0.5389(4) 0.3981(3) 0.0342(13) Uani 0.50 1 d P H 2
H64 H 0.0439 0.5433 0.3958 0.041 Uiso 0.50 1 calc PR H 2
C65 C -0.1261(5) 0.5606(4) 0.3349(3) 0.0320(13) Uani 1 1 d . . .
H65 H -0.1146 0.5793 0.2874 0.038 Uiso 1 1 calc R H 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 0.0000 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'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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'
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
N4 Rh1 N3 93.11(16) . . ?
N4 Rh1 N1 87.29(16) . . ?
N3 Rh1 N1 176.9(2) . . ?
N4 Rh1 N2 179.45(18) . . ?
N3 Rh1 N2 87.06(16) . . ?
N1 Rh1 N2 92.57(16) . . ?
N4 Rh1 N5 89.24(19) . . ?
N3 Rh1 N5 84.04(19) . . ?
N1 Rh1 N5 92.92(18) . . ?
N2 Rh1 N5 91.30(18) . . ?
N4 Rh1 I1 88.00(15) . . ?
N3 Rh1 I1 90.76(16) . . ?
N1 Rh1 I1 92.31(14) . . ?
N2 Rh1 I1 91.48(14) . . ?
N5 Rh1 I1 173.97(10) . . ?
N4 Rh1 Rh1 86.67(14) . 2_566 ?
N3 Rh1 Rh1 76.20(16) . 2_566 ?
N1 Rh1 Rh1 100.78(15) . 2_566 ?
N2 Rh1 Rh1 93.88(13) . 2_566 ?
N5 Rh1 Rh1 8.41(10) . 2_566 ?
I1 Rh1 Rh1 165.609(11) . 2_566 ?
Cl1 C66 Cl2 101.6(15) . . ?
Cl1 C66 H66A 106.3 . . ?
Cl2 C66 H66A 111.9 . . ?
Cl1 C66 H66B 115.0 . . ?
Cl2 C66 H66B 112.1 . . ?
H66A C66 H66B 109.6 . . ?
C2 N1 C5 106.9(4) . . ?
C2 N1 Rh1 129.6(3) . . ?
C5 N1 Rh1 123.5(3) . . ?
C10 N2 C7 107.6(4) . . ?
C10 N2 Rh1 128.9(3) . . ?
C7 N2 Rh1 123.5(3) . . ?
C15 N3 C12 107.2(4) . . ?
C15 N3 Rh1 122.4(4) . . ?
C12 N3 Rh1 129.8(3) . . ?
C17 N4 C20 106.7(4) . . ?
C17 N4 Rh1 124.4(3) . . ?
C20 N4 Rh1 128.4(3) . . ?
C20 C1 C2 124.2(5) . . ?
C20 C1 C49 119.3(5) . . ?
C2 C1 C49 116.4(4) . . ?
N1 C2 C1 124.2(4) . . ?
N1 C2 C3 109.7(4) . . ?
C1 C2 C3 126.1(5) . . ?
C4 C3 C2 106.0(5) . . ?
C4 C3 C21 123.8(4) . . ?
C2 C3 C21 130.3(5) . . ?
C3 C4 C5 107.2(4) . . ?
C3 C4 C25 127.8(5) . . ?
C5 C4 C25 125.0(5) . . ?
C6 C5 N1 126.0(4) . . ?
C6 C5 C4 123.9(4) . . ?
N1 C5 C4 110.1(4) . . ?
C5 C6 C7 128.3(4) . . ?
C5 C6 H6 115.9 . . ?
C7 C6 H6 115.9 . . ?
N2 C7 C6 125.9(5) . . ?
N2 C7 C8 109.8(4) . . ?
C6 C7 C8 124.3(4) . . ?
C9 C8 C7 107.7(4) . . ?
C9 C8 C31 126.9(5) . . ?
C7 C8 C31 125.5(4) . . ?
C8 C9 C22 124.0(4) . . ?
C8 C9 C10 105.7(5) . . ?
C22 C9 C10 130.2(4) . . ?
N2 C10 C11 124.8(4) . . ?
N2 C10 C9 109.2(4) . . ?
C11 C10 C9 125.7(5) . . ?
C12 C11 C10 124.2(5) . . ?
C12 C11 C55 118.6(4) . . ?
C10 C11 C55 116.7(4) . . ?
N3 C12 C11 124.3(4) . . ?
N3 C12 C13 109.2(4) . . ?
C11 C12 C13 126.5(4) . . ?
C14 C13 C12 106.4(4) . . ?
C14 C13 C23 124.8(4) . . ?
C12 C13 C23 128.8(5) . . ?
C13 C14 C15 107.6(4) . . ?
C13 C14 C37 128.7(5) . . ?
C15 C14 C37 123.5(5) . . ?
N3 C15 C16 126.9(4) . . ?
N3 C15 C14 109.6(5) . . ?
C16 C15 C14 123.5(4) . . ?
C15 C16 C17 128.1(4) . . ?
C15 C16 H16 116.0 . . ?
C17 C16 H16 116.0 . . ?
N4 C17 C16 124.0(5) . . ?
N4 C17 C18 111.1(4) . . ?
C16 C17 C18 124.8(4) . . ?
C19 C18 C17 107.7(4) . . ?
C19 C18 C43 125.4(5) . . ?
C17 C18 C43 126.8(5) . . ?
C18 C19 C20 105.9(5) . . ?
C18 C19 C24 124.1(5) . . ?
C20 C19 C24 130.0(4) . . ?
N4 C20 C1 125.5(5) . . ?
N4 C20 C19 108.6(4) . . ?
C1 C20 C19 125.9(5) . . ?
C3 C21 H21A 109.4 . . ?
C3 C21 H21B 109.4 . . ?
H21A C21 H21B 109.5 . . ?
C3 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C9 C22 H22A 109.5 . . ?
C9 C22 H22B 109.4 . . ?
H22A C22 H22B 109.5 . . ?
C9 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C13 C23 H23A 109.4 . . ?
C13 C23 H23B 109.6 . . ?
H23A C23 H23B 109.5 . . ?
C13 C23 H23C 109.4 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C19 C24 H24A 109.5 . . ?
C19 C24 H24B 109.4 . . ?
H24A C24 H24B 109.5 . . ?
C19 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C4 C25 C26 112.9(6) . . ?
C4 C25 H25A 109.0 . . ?
C26 C25 H25A 109.0 . . ?
C4 C25 H25B 109.0 . . ?
C26 C25 H25B 109.0 . . ?
H25A C25 H25B 107.8 . . ?
C27 C26 C25 114.7(8) . . ?
C27 C26 H26A 108.6 . . ?
C25 C26 H26A 108.6 . . ?
C27 C26 H26B 108.7 . . ?
C25 C26 H26B 108.5 . . ?
H26A C26 H26B 107.5 . . ?
C26 C27 C28 115.3(7) . . ?
C26 C27 H27A 108.3 . . ?
C28 C27 H27A 108.4 . . ?
C26 C27 H27B 108.6 . . ?
C28 C27 H27B 108.5 . . ?
H27A C27 H27B 107.5 . . ?
C27 C28 C29 112.4(8) . . ?
C27 C28 H28A 109.1 . . ?
C29 C28 H28A 109.0 . . ?
C27 C28 H28B 109.1 . . ?
C29 C28 H28B 109.2 . . ?
H28A C28 H28B 107.9 . . ?
C30 C29 C28 110.3(9) . . ?
C30 C29 H29A 109.9 . . ?
C28 C29 H29A 109.7 . . ?
C30 C29 H29B 109.3 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 108.1 . . ?
C29 C30 H30A 109.7 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.2 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C8 C31 C32 113.8(5) . . ?
C8 C31 H31A 108.8 . . ?
C32 C31 H31A 108.8 . . ?
C8 C31 H31B 108.8 . . ?
C32 C31 H31B 108.8 . . ?
H31A C31 H31B 107.7 . . ?
C31 C32 C33 114.8(5) . . ?
C31 C32 H32A 108.6 . . ?
C33 C32 H32A 108.6 . . ?
C31 C32 H32B 108.6 . . ?
C33 C32 H32B 108.6 . . ?
H32A C32 H32B 107.6 . . ?
C34 C33 C32 113.7(5) . . ?
C34 C33 H33A 108.8 . . ?
C32 C33 H33A 108.8 . . ?
C34 C33 H33B 108.8 . . ?
C32 C33 H33B 108.8 . . ?
H33A C33 H33B 107.7 . . ?
C33 C34 C35 109.2(9) . . ?
C33 C34 H34A 109.8 . . ?
C35 C34 H34A 110.1 . . ?
C33 C34 H34B 109.8 . . ?
C35 C34 H34B 109.7 . . ?
H34A C34 H34B 108.3 . . ?
C36 C35 C34 114.0(16) . . ?
C36 C35 H35A 108.5 . . ?
C34 C35 H35A 108.6 . . ?
C36 C35 H35B 109.0 . . ?
C34 C35 H35B 108.9 . . ?
H35A C35 H35B 107.6 . . ?
C36' C35' H35C 109.4 . . ?
C36' C35' H35D 109.4 . . ?
H35C C35' H35D 108.1 . . ?
C35' C36' H36D 109.4 . . ?
C35' C36' H36E 109.6 . . ?
H36D C36' H36E 109.5 . . ?
C35' C36' H36F 109.4 . . ?
H36D C36' H36F 109.5 . . ?
H36E C36' H36F 109.5 . . ?
C38 C37 C14 113.2(6) . . ?
C38 C37 H37A 108.9 . . ?
C14 C37 H37A 109.0 . . ?
C38 C37 H37B 108.9 . . ?
C14 C37 H37B 109.0 . . ?
H37A C37 H37B 107.7 . . ?
C37 C38 C39 113.3(6) . . ?
C37 C38 H38A 108.9 . . ?
C39 C38 H38A 108.9 . . ?
C37 C38 H38B 108.9 . . ?
C39 C38 H38B 108.9 . . ?
H38A C38 H38B 107.7 . . ?
C38 C39 C40 114.9(7) . . ?
C38 C39 H39A 108.6 . . ?
C40 C39 H39A 108.5 . . ?
C38 C39 H39B 108.6 . . ?
C40 C39 H39B 108.6 . . ?
H39A C39 H39B 107.5 . . ?
C41 C40 C39 116.7(7) . . ?
C41 C40 H40A 108.2 . . ?
C39 C40 H40A 108.1 . . ?
C41 C40 H40B 108.0 . . ?
C39 C40 H40B 108.1 . . ?
H40A C40 H40B 107.3 . . ?
C40 C41 C42 110.6(9) . . ?
C40 C41 H41A 109.4 . . ?
C42 C41 H41A 109.5 . . ?
C40 C41 H41B 109.6 . . ?
C42 C41 H41B 109.6 . . ?
H41A C41 H41B 108.1 . . ?
C42' C41' H41C 108.8 . . ?
C42' C41' H41D 109.1 . . ?
H41C C41' H41D 107.8 . . ?
C41' C42' H42D 109.4 . . ?
C41' C42' H42E 109.4 . . ?
H42D C42' H42E 109.5 . . ?
C41' C42' H42F 109.7 . . ?
H42D C42' H42F 109.5 . . ?
H42E C42' H42F 109.5 . . ?
C18 C43 C44 113.4(5) . . ?
C18 C43 H43A 108.9 . . ?
C44 C43 H43A 108.9 . . ?
C18 C43 H43B 108.9 . . ?
C44 C43 H43B 108.9 . . ?
H43A C43 H43B 107.7 . . ?
C45 C44 C43 115.6(5) . . ?
C45 C44 H44A 108.4 . . ?
C43 C44 H44A 108.4 . . ?
C45 C44 H44B 108.4 . . ?
C43 C44 H44B 108.4 . . ?
H44A C44 H44B 107.5 . . ?
C46 C45 C44 115.9(6) . . ?
C46 C45 H45A 108.3 . . ?
C44 C45 H45A 108.3 . . ?
C46 C45 H45B 108.3 . . ?
C44 C45 H45B 108.3 . . ?
H45A C45 H45B 107.4 . . ?
C45 C46 C47 116.1(6) . . ?
C45 C46 H46A 108.3 . . ?
C47 C46 H46A 108.3 . . ?
C45 C46 H46B 108.3 . . ?
C47 C46 H46B 108.3 . . ?
H46A C46 H46B 107.4 . . ?
C48 C47 C46 114.2(9) . . ?
C48 C47 H47A 108.7 . . ?
C46 C47 H47A 108.7 . . ?
C48 C47 H47B 108.7 . . ?
C46 C47 H47B 108.7 . . ?
H47A C47 H47B 107.6 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.4 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C50 C49 C54 120.6(7) . . ?
C50 C49 C1 117.9(7) . . ?
C54 C49 C1 121.5(8) . . ?
C51 C50 C49 119.6(10) . . ?
C51 C50 H50 120.3 . . ?
C49 C50 H50 120.2 . . ?
C52 C51 C50 121.7(12) . . ?
C52 C51 H51 119.0 . . ?
C50 C51 H51 119.3 . . ?
C51 C52 C53 118.2(8) . . ?
C51 C52 H52 121.0 . . ?
C53 C52 H52 120.8 . . ?
C54 C53 C52 122.4(12) . . ?
C54 C53 H53 118.7 . . ?
C52 C53 H53 118.9 . . ?
C53 C54 C49 117.5(12) . . ?
C53 C54 H54 121.4 . . ?
C49 C54 H54 121.1 . . ?
C60 C55 C56 119.1(6) . . ?
C60 C55 C11 122.1(6) . . ?
C56 C55 C11 118.8(6) . . ?
C55 C56 C57 120.8(8) . . ?
C55 C56 H56 119.7 . . ?
C57 C56 H56 119.6 . . ?
C58 C57 C56 119.2(8) . . ?
C58 C57 H57 120.4 . . ?
C56 C57 H57 120.4 . . ?
C57 C58 C59 120.4(6) . . ?
C57 C58 H58 119.7 . . ?
C59 C58 H58 119.9 . . ?
C58 C59 C60 119.2(8) . . ?
C58 C59 H59 120.4 . . ?
C60 C59 H59 120.4 . . ?
C55 C60 C59 121.2(8) . . ?
C55 C60 H60 119.3 . . ?
C59 C60 H60 119.4 . . ?
C61 N5 C65 116.7(5) . . ?
C61 N5 Rh1 122.6(4) . . ?
C65 N5 Rh1 119.4(4) . . ?
C61 N5 N5 58.1(3) . 2_566 ?
C65 N5 N5 58.7(3) . 2_566 ?
Rh1 N5 N5 166.48(17) . 2_566 ?
N5 C61 C62 124.3(5) . . ?
N5 C61 H61 117.9 . . ?
C62 C61 H61 117.9 . . ?
C61 C62 C63 117.1(6) . . ?
C61 C62 H62 121.5 . . ?
C63 C62 H62 121.4 . . ?
N6 C63 C62 121.0(6) . . ?
N6 C63 C63 120.8(6) . 2_566 ?
C62 C63 C63 118.2(7) . 2_566 ?
C63 N6 C65 118.5(5) . . ?
N6 C65 N5 122.3(6) . . ?
N6 C65 H65 118.8 . . ?
N5 C65 H65 118.9 . . ?
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 N4 2.028(4) . ?
Rh1 N3 2.031(4) . ?
Rh1 N1 2.041(4) . ?
Rh1 N2 2.048(4) . ?
Rh1 N5 2.104(5) . ?
Rh1 I1 2.6254(7) . ?
Rh1 Rh1 11.0416(16) 2_566 ?
C66 Cl1 1.820(14) . ?
C66 Cl2 1.852(13) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
N1 C2 1.366(6) . ?
N1 C5 1.376(6) . ?
N2 C10 1.367(6) . ?
N2 C7 1.369(5) . ?
N3 C15 1.367(6) . ?
N3 C12 1.373(6) . ?
N4 C17 1.368(6) . ?
N4 C20 1.379(6) . ?
C1 C20 1.388(7) . ?
C1 C2 1.406(7) . ?
C1 C49 1.490(8) . ?
C2 C3 1.473(6) . ?
C3 C4 1.370(8) . ?
C3 C21 1.507(8) . ?
C4 C5 1.443(6) . ?
C4 C25 1.497(6) . ?
C5 C6 1.369(7) . ?
C6 C7 1.378(6) . ?
C6 H6 0.9500 . ?
C7 C8 1.435(7) . ?
C8 C9 1.371(7) . ?
C8 C31 1.507(6) . ?
C9 C22 1.470(8) . ?
C9 C10 1.472(6) . ?
C10 C11 1.407(6) . ?
C11 C12 1.398(7) . ?
C11 C55 1.496(7) . ?
C12 C13 1.468(5) . ?
C13 C14 1.354(8) . ?
C13 C23 1.496(7) . ?
C14 C15 1.449(6) . ?
C14 C37 1.497(7) . ?
C15 C16 1.367(7) . ?
C16 C17 1.394(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.416(7) . ?
C18 C19 1.366(7) . ?
C18 C43 1.505(7) . ?
C19 C20 1.483(7) . ?
C19 C24 1.494(8) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.524(11) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.502(8) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.514(10) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.533(10) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.532(10) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.515(9) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.531(10) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.508(10) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.51(2) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.51(3) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C35' C36' 1.51(3) . ?
C35' H35C 0.9900 . ?
C35' H35D 0.9900 . ?
C36' H36D 0.9800 . ?
C36' H36E 0.9800 . ?
C36' H36F 0.9800 . ?
C37 C38 1.499(12) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.508(11) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40 1.512(8) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 C41 1.499(10) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.546(10) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42A 0.9801 . ?
C42 H42B 0.9801 . ?
C42 H42C 0.9801 . ?
C41' C42' 1.510(11) . ?
C41' H41C 0.9900 . ?
C41' H41D 0.9900 . ?
C42' H42D 0.9801 . ?
C42' H42E 0.9801 . ?
C42' H42F 0.9801 . ?
C43 C44 1.524(11) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.506(11) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.496(12) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 C47 1.506(13) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.495(15) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C50 1.401(12) . ?
C49 C54 1.401(13) . ?
C50 C51 1.386(10) . ?
C50 H50 0.9500 . ?
C51 C52 1.36(2) . ?
C51 H51 0.9500 . ?
C52 C53 1.41(2) . ?
C52 H52 0.9500 . ?
C53 C54 1.389(13) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C55 C60 1.361(10) . ?
C55 C56 1.387(10) . ?
C56 C57 1.410(8) . ?
C56 H56 0.9500 . ?
C57 C58 1.368(13) . ?
C57 H57 0.9500 . ?
C58 C59 1.393(13) . ?
C58 H58 0.9500 . ?
C59 C60 1.402(9) . ?
C59 H59 0.9500 . ?
C60 H60 0.9500 . ?
N5 C61 1.318(8) . ?
N5 C65 1.359(7) . ?
N5 N5 6.907(9) 2_566 ?
C61 C62 1.352(9) . ?
C61 H61 0.9500 . ?
C62 C63 1.368(7) . ?
C62 H62 0.9500 . ?
C63 N6 1.341(8) . ?
C63 C63 1.470(12) 2_566 ?
N6 C65 1.353(9) . ?
C65 H65 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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N4 Rh1 N1 C2 -0.4(5) . . . . ?
N3 Rh1 N1 C2 97(3) . . . . ?
N2 Rh1 N1 C2 -179.9(5) . . . . ?
N5 Rh1 N1 C2 88.7(5) . . . . ?
I1 Rh1 N1 C2 -88.3(5) . . . . ?
Rh1 Rh1 N1 C2 85.7(5) 2_566 . . . ?
N4 Rh1 N1 C5 -179.3(5) . . . . ?
N3 Rh1 N1 C5 -82(3) . . . . ?
N2 Rh1 N1 C5 1.2(5) . . . . ?
N5 Rh1 N1 C5 -90.2(5) . . . . ?
I1 Rh1 N1 C5 92.8(5) . . . . ?
Rh1 Rh1 N1 C5 -93.2(5) 2_566 . . . ?
N4 Rh1 N2 C10 105(17) . . . . ?
N3 Rh1 N2 C10 -3.6(5) . . . . ?
N1 Rh1 N2 C10 179.5(5) . . . . ?
N5 Rh1 N2 C10 -87.6(5) . . . . ?
I1 Rh1 N2 C10 87.1(5) . . . . ?
Rh1 Rh1 N2 C10 -79.6(5) 2_566 . . . ?
N4 Rh1 N2 C7 -72(17) . . . . ?
N3 Rh1 N2 C7 -179.9(5) . . . . ?
N1 Rh1 N2 C7 3.1(5) . . . . ?
N5 Rh1 N2 C7 96.1(5) . . . . ?
I1 Rh1 N2 C7 -89.3(5) . . . . ?
Rh1 Rh1 N2 C7 104.1(5) 2_566 . . . ?
N4 Rh1 N3 C15 5.0(5) . . . . ?
N1 Rh1 N3 C15 -92(3) . . . . ?
N2 Rh1 N3 C15 -175.5(5) . . . . ?
N5 Rh1 N3 C15 -83.9(5) . . . . ?
I1 Rh1 N3 C15 93.1(5) . . . . ?
Rh1 Rh1 N3 C15 -80.8(5) 2_566 . . . ?
N4 Rh1 N3 C12 174.8(6) . . . . ?
N1 Rh1 N3 C12 77(3) . . . . ?
N2 Rh1 N3 C12 -5.7(6) . . . . ?
N5 Rh1 N3 C12 85.9(6) . . . . ?
I1 Rh1 N3 C12 -97.2(6) . . . . ?
Rh1 Rh1 N3 C12 89.0(6) 2_566 . . . ?
N3 Rh1 N4 C17 4.4(5) . . . . ?
N1 Rh1 N4 C17 -178.7(5) . . . . ?
N2 Rh1 N4 C17 -104(17) . . . . ?
N5 Rh1 N4 C17 88.4(5) . . . . ?
I1 Rh1 N4 C17 -86.3(5) . . . . ?
Rh1 Rh1 N4 C17 80.4(5) 2_566 . . . ?
N3 Rh1 N4 C20 175.3(5) . . . . ?
N1 Rh1 N4 C20 -7.8(5) . . . . ?
N2 Rh1 N4 C20 67(17) . . . . ?
N5 Rh1 N4 C20 -100.7(5) . . . . ?
I1 Rh1 N4 C20 84.6(5) . . . . ?
Rh1 Rh1 N4 C20 -108.8(5) 2_566 . . . ?
C5 N1 C2 C1 -174.6(6) . . . . ?
Rh1 N1 C2 C1 6.4(9) . . . . ?
C5 N1 C2 C3 4.1(7) . . . . ?
Rh1 N1 C2 C3 -174.9(4) . . . . ?
C20 C1 C2 N1 -5.3(10) . . . . ?
C49 C1 C2 N1 170.6(6) . . . . ?
C20 C1 C2 C3 176.1(6) . . . . ?
C49 C1 C2 C3 -7.9(10) . . . . ?
N1 C2 C3 C4 -3.7(7) . . . . ?
C1 C2 C3 C4 175.0(6) . . . . ?
N1 C2 C3 C21 175.4(7) . . . . ?
C1 C2 C3 C21 -5.9(12) . . . . ?
C2 C3 C4 C5 1.7(7) . . . . ?
C21 C3 C4 C5 -177.5(7) . . . . ?
C2 C3 C4 C25 -177.8(6) . . . . ?
C21 C3 C4 C25 3.1(12) . . . . ?
C2 N1 C5 C6 176.4(6) . . . . ?
Rh1 N1 C5 C6 -4.5(9) . . . . ?
C2 N1 C5 C4 -3.1(7) . . . . ?
Rh1 N1 C5 C4 176.0(4) . . . . ?
C3 C4 C5 C6 -178.8(6) . . . . ?
C25 C4 C5 C6 0.7(10) . . . . ?
C3 C4 C5 N1 0.8(7) . . . . ?
C25 C4 C5 N1 -179.7(6) . . . . ?
N1 C5 C6 C7 3.5(10) . . . . ?
C4 C5 C6 C7 -177.0(6) . . . . ?
C10 N2 C7 C6 177.9(6) . . . . ?
Rh1 N2 C7 C6 -5.1(8) . . . . ?
C10 N2 C7 C8 0.0(7) . . . . ?
Rh1 N2 C7 C8 177.0(4) . . . . ?
C5 C6 C7 N2 1.9(10) . . . . ?
C5 C6 C7 C8 179.5(6) . . . . ?
N2 C7 C8 C9 -1.3(7) . . . . ?
C6 C7 C8 C9 -179.3(6) . . . . ?
N2 C7 C8 C31 178.2(6) . . . . ?
C6 C7 C8 C31 0.2(10) . . . . ?
C7 C8 C9 C22 -175.3(6) . . . . ?
C31 C8 C9 C22 5.2(11) . . . . ?
C7 C8 C9 C10 2.0(7) . . . . ?
C31 C8 C9 C10 -177.5(6) . . . . ?
C7 N2 C10 C11 -173.8(6) . . . . ?
Rh1 N2 C10 C11 9.4(8) . . . . ?
C7 N2 C10 C9 1.3(6) . . . . ?
Rh1 N2 C10 C9 -175.5(4) . . . . ?
C8 C9 C10 N2 -2.1(7) . . . . ?
C22 C9 C10 N2 175.0(7) . . . . ?
C8 C9 C10 C11 172.9(6) . . . . ?
C22 C9 C10 C11 -10.0(11) . . . . ?
N2 C10 C11 C12 -5.9(10) . . . . ?
C9 C10 C11 C12 179.8(6) . . . . ?
N2 C10 C11 C55 166.2(6) . . . . ?
C9 C10 C11 C55 -8.0(9) . . . . ?
C15 N3 C12 C11 -179.0(6) . . . . ?
Rh1 N3 C12 C11 10.1(10) . . . . ?
C15 N3 C12 C13 0.8(7) . . . . ?
Rh1 N3 C12 C13 -170.1(5) . . . . ?
C10 C11 C12 N3 -4.0(11) . . . . ?
C55 C11 C12 N3 -176.0(6) . . . . ?
C10 C11 C12 C13 176.2(6) . . . . ?
C55 C11 C12 C13 4.2(10) . . . . ?
N3 C12 C13 C14 -0.7(8) . . . . ?
C11 C12 C13 C14 179.1(7) . . . . ?
N3 C12 C13 C23 179.0(7) . . . . ?
C11 C12 C13 C23 -1.2(11) . . . . ?
C12 C13 C14 C15 0.2(8) . . . . ?
C23 C13 C14 C15 -179.5(7) . . . . ?
C12 C13 C14 C37 175.1(7) . . . . ?
C23 C13 C14 C37 -4.6(13) . . . . ?
C12 N3 C15 C16 177.1(7) . . . . ?
Rh1 N3 C15 C16 -11.1(10) . . . . ?
C12 N3 C15 C14 -0.7(7) . . . . ?
Rh1 N3 C15 C14 171.1(5) . . . . ?
C13 C14 C15 N3 0.3(8) . . . . ?
C37 C14 C15 N3 -175.0(7) . . . . ?
C13 C14 C15 C16 -177.6(7) . . . . ?
C37 C14 C15 C16 7.2(11) . . . . ?
N3 C15 C16 C17 7.1(12) . . . . ?
C14 C15 C16 C17 -175.4(7) . . . . ?
C20 N4 C17 C16 178.1(6) . . . . ?
Rh1 N4 C17 C16 -9.4(9) . . . . ?
C20 N4 C17 C18 -0.5(7) . . . . ?
Rh1 N4 C17 C18 172.1(4) . . . . ?
C15 C16 C17 N4 4.5(11) . . . . ?
C15 C16 C17 C18 -177.2(7) . . . . ?
N4 C17 C18 C19 -0.3(8) . . . . ?
C16 C17 C18 C19 -178.8(7) . . . . ?
N4 C17 C18 C43 -177.2(6) . . . . ?
C16 C17 C18 C43 4.3(11) . . . . ?
C17 C18 C19 C20 0.8(8) . . . . ?
C43 C18 C19 C20 177.8(6) . . . . ?
C17 C18 C19 C24 -180.0(7) . . . . ?
C43 C18 C19 C24 -3.0(12) . . . . ?
C17 N4 C20 C1 -176.9(6) . . . . ?
Rh1 N4 C20 C1 11.0(9) . . . . ?
C17 N4 C20 C19 1.0(7) . . . . ?
Rh1 N4 C20 C19 -171.2(4) . . . . ?
C2 C1 C20 N4 -3.5(11) . . . . ?
C49 C1 C20 N4 -179.4(6) . . . . ?
C2 C1 C20 C19 179.0(6) . . . . ?
C49 C1 C20 C19 3.1(10) . . . . ?
C18 C19 C20 N4 -1.1(8) . . . . ?
C24 C19 C20 N4 179.7(7) . . . . ?
C18 C19 C20 C1 176.7(7) . . . . ?
C24 C19 C20 C1 -2.4(12) . . . . ?
C3 C4 C25 C26 -89.2(8) . . . . ?
C5 C4 C25 C26 91.4(8) . . . . ?
C4 C25 C26 C27 169.5(7) . . . . ?
C25 C26 C27 C28 -56.8(12) . . . . ?
C26 C27 C28 C29 -76.8(15) . . . . ?
C27 C28 C29 C30 -178.4(17) . . . . ?
C9 C8 C31 C32 85.1(8) . . . . ?
C7 C8 C31 C32 -94.3(7) . . . . ?
C8 C31 C32 C33 66.0(6) . . . . ?
C31 C32 C33 C34 178.6(4) . . . . ?
C32 C33 C34 C35 172.9(9) . . . . ?
C33 C34 C35 C36 -176.5(13) . . . . ?
C13 C14 C37 C38 -97.5(9) . . . . ?
C15 C14 C37 C38 76.6(8) . . . . ?
C14 C37 C38 C39 62.5(7) . . . . ?
C37 C38 C39 C40 -175.6(5) . . . . ?
C38 C39 C40 C41 -178.5(11) . . . . ?
C39 C40 C41 C42 -175.5(12) . . . . ?
C19 C18 C43 C44 -79.3(9) . . . . ?
C17 C18 C43 C44 97.1(7) . . . . ?
C18 C43 C44 C45 -62.9(6) . . . . ?
C43 C44 C45 C46 -178.7(4) . . . . ?
C44 C45 C46 C47 179.1(5) . . . . ?
C45 C46 C47 C48 178.3(6) . . . . ?
C20 C1 C49 C50 94.1(7) . . . . ?
C2 C1 C49 C50 -82.1(7) . . . . ?
C20 C1 C49 C54 -87.4(8) . . . . ?
C2 C1 C49 C54 96.4(7) . . . . ?
C54 C49 C50 C51 -1.7(9) . . . . ?
C1 C49 C50 C51 176.8(6) . . . . ?
C49 C50 C51 C52 0.1(11) . . . . ?
C50 C51 C52 C53 0.9(13) . . . . ?
C51 C52 C53 C54 -0.4(14) . . . . ?
C52 C53 C54 C49 -1.1(12) . . . . ?
C50 C49 C54 C53 2.1(9) . . . . ?
C1 C49 C54 C53 -176.3(6) . . . . ?
C12 C11 C55 C60 -89.2(7) . . . . ?
C10 C11 C55 C60 98.2(7) . . . . ?
C12 C11 C55 C56 91.6(7) . . . . ?
C10 C11 C55 C56 -81.0(7) . . . . ?
C60 C55 C56 C57 -1.6(8) . . . . ?
C11 C55 C56 C57 177.6(5) . . . . ?
C55 C56 C57 C58 1.6(8) . . . . ?
C56 C57 C58 C59 -0.4(9) . . . . ?
C57 C58 C59 C60 -0.7(9) . . . . ?
C56 C55 C60 C59 0.4(8) . . . . ?
C11 C55 C60 C59 -178.7(5) . . . . ?
C58 C59 C60 C55 0.7(9) . . . . ?
N4 Rh1 N5 C61 16.7(4) . . . . ?
N3 Rh1 N5 C61 109.9(4) . . . . ?
N1 Rh1 N5 C61 -70.6(4) . . . . ?
N2 Rh1 N5 C61 -163.2(4) . . . . ?
I1 Rh1 N5 C61 79.4(14) . . . . ?
Rh1 Rh1 N5 C61 88.8(9) 2_566 . . . ?
N4 Rh1 N5 C65 -150.3(4) . . . . ?
N3 Rh1 N5 C65 -57.1(4) . . . . ?
N1 Rh1 N5 C65 122.5(4) . . . . ?
N2 Rh1 N5 C65 29.8(4) . . . . ?
I1 Rh1 N5 C65 -87.6(13) . . . . ?
Rh1 Rh1 N5 C65 -78.2(9) 2_566 . . . ?
N4 Rh1 N5 N5 -72.1(9) . . . 2_566 ?
N3 Rh1 N5 N5 21.1(9) . . . 2_566 ?
N1 Rh1 N5 N5 -159.4(9) . . . 2_566 ?
N2 Rh1 N5 N5 108.0(9) . . . 2_566 ?
I1 Rh1 N5 N5 -9(2) . . . 2_566 ?
Rh1 Rh1 N5 N5 0.000(1) 2_566 . . 2_566 ?
C65 N5 C61 C62 2.2(9) . . . . ?
Rh1 N5 C61 C62 -165.0(5) . . . . ?
N5 N5 C61 C62 -1.0(5) 2_566 . . . ?
N5 C61 C62 C63 0.7(10) . . . . ?
C61 C62 C63 N6 -2.8(9) . . . . ?
C61 C62 C63 C63 176.9(6) . . . 2_566 ?
C62 C63 N6 C65 1.8(9) . . . . ?
C63 C63 N6 C65 -177.9(7) 2_566 . . . ?
C63 N6 C65 N5 1.4(9) . . . . ?
C61 N5 C65 N6 -3.3(8) . . . . ?
Rh1 N5 C65 N6 164.4(5) . . . . ?
N5 N5 C65 N6 -0.1(4) 2_566 . . . ?
