#------------------------------------------------------------------------------
#$Date: 2016-03-23 04:05:21 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179276 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/96/4319660.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_4319660
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         'C144 H182 I2 N12 Rh2'
_chemical_formula_sum            'C144 H182 I2 N12 Rh2'
_chemical_formula_weight         2540.64
_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                93.492(2)
_cell_angle_beta                 110.978(2)
_cell_angle_gamma                93.249(2)
_cell_formula_units_Z            1
_cell_length_a                   14.4222(10)
_cell_length_b                   14.6677(10)
_cell_length_c                   16.5079(11)
_cell_measurement_reflns_used    19835
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      29.01
_cell_measurement_theta_min      3.10
_cell_volume                     3243.0(4)
_computing_cell_refinement       'LSCELL (CLEGG, 1997)'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'XP (Sheldrick, 1996)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 0.865
_diffrn_measured_fraction_theta_max 0.865
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       'Thin slice, ω-scans'
_diffrn_radiation_monochromator  'Silicon 111'
_diffrn_radiation_source         'Daresbury SRS, Station 9.8'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.6923
_diffrn_reflns_av_R_equivalents  0.0294
_diffrn_reflns_av_sigmaI/netI    0.0561
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            29749
_diffrn_reflns_theta_full        29.25
_diffrn_reflns_theta_max         29.25
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    0.785
_exptl_absorpt_correction_T_max  0.9845
_exptl_absorpt_correction_T_min  0.9544
_exptl_absorpt_correction_type   multiscans
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.301
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1326
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.967
_refine_diff_density_min         -0.784
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     695
_refine_ls_number_reflns         16508
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0619
_refine_ls_R_factor_gt           0.0420
_refine_ls_shift/su_max          0.037
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0539P)²+1.3013P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0978
_refine_ls_wR_factor_ref         0.1019
_reflns_number_gt                12640
_reflns_number_total             16508
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic001038f_02.cif
_cod_data_source_block           js0006
_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               4319660
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
I1 I 0.222921(14) 0.212390(13) 0.640247(11) 0.02273(6) Uani 1 1 d . . .
Rh1 Rh 0.237927(15) 0.172503(13) 0.489893(12) 0.01469(5) Uani 1 1 d . . .
N1 N 0.08827(17) 0.17735(15) 0.42168(14) 0.0176(4) Uani 1 1 d . . .
N2 N 0.25309(17) 0.30957(15) 0.47745(14) 0.0181(4) Uani 1 1 d . . .
N3 N 0.38740(17) 0.16633(15) 0.55351(14) 0.0169(4) Uani 1 1 d . . .
N4 N 0.22303(17) 0.03492(15) 0.50036(14) 0.0170(4) Uani 1 1 d . . .
N5 N 0.24051(18) 0.14073(16) 0.36786(15) 0.0200(5) Uani 1 1 d . . .
N6 N -0.0092(2) 0.0513(2) 0.09826(17) 0.0326(6) Uani 1 1 d . . .
C1 C 0.0425(2) 0.01312(18) 0.41720(17) 0.0181(5) Uani 1 1 d . . .
H1 H -0.0123 -0.0321 0.3965 0.022 Uiso 1 1 calc R . .
C2 C 0.0215(2) 0.10144(18) 0.39706(17) 0.0181(5) Uani 1 1 d . . .
C3 C -0.0756(2) 0.12547(19) 0.34238(18) 0.0200(5) Uani 1 1 d . . .
C4 C -0.0670(2) 0.21629(19) 0.33188(18) 0.0213(5) Uani 1 1 d . . .
C5 C 0.0371(2) 0.24930(18) 0.38321(17) 0.0190(5) Uani 1 1 d . . .
C6 C 0.0798(2) 0.33926(18) 0.39302(18) 0.0203(5) Uani 1 1 d . . .
C7 C 0.1806(2) 0.36798(18) 0.44035(18) 0.0195(5) Uani 1 1 d . . .
C8 C 0.2261(2) 0.46205(19) 0.45952(19) 0.0234(6) Uani 1 1 d . . .
C9 C 0.3246(2) 0.45791(19) 0.50780(19) 0.0236(6) Uani 1 1 d . . .
C10 C 0.3403(2) 0.36200(18) 0.51648(18) 0.0201(5) Uani 1 1 d . . .
C11 C 0.4321(2) 0.33042(19) 0.55755(18) 0.0218(5) Uani 1 1 d . . .
H11 H 0.4871 0.3755 0.5773 0.026 Uiso 1 1 calc R . .
C12 C 0.4545(2) 0.24086(19) 0.57388(17) 0.0192(5) Uani 1 1 d . . .
C13 C 0.5538(2) 0.21481(19) 0.61963(18) 0.0207(5) Uani 1 1 d . . .
C14 C 0.5455(2) 0.12407(19) 0.62921(18) 0.0213(5) Uani 1 1 d . . .
C15 C 0.4394(2) 0.09335(19) 0.58888(17) 0.0183(5) Uani 1 1 d . . .
C16 C 0.3948(2) 0.00532(18) 0.58701(17) 0.0183(5) Uani 1 1 d . . .
C17 C 0.2940(2) -0.02257(18) 0.54297(17) 0.0169(5) Uani 1 1 d . . .
C18 C 0.2464(2) -0.11564(18) 0.53159(18) 0.0192(5) Uani 1 1 d . . .
C19 C 0.1483(2) -0.11176(18) 0.48169(18) 0.0204(5) Uani 1 1 d . . .
C20 C 0.1344(2) -0.01764(18) 0.46418(17) 0.0185(5) Uani 1 1 d . . .
C21 C -0.1513(3) 0.2666(2) 0.2767(2) 0.0364(8) Uani 1 1 d . . .
H21A H -0.2087 0.2227 0.2450 0.055 Uiso 1 1 calc R . .
H21B H -0.1305 0.2990 0.2350 0.055 Uiso 1 1 calc R . .
H21C H -0.1699 0.3109 0.3139 0.055 Uiso 1 1 calc R . .
C22 C 0.1795(2) 0.5504(2) 0.4354(2) 0.0291(7) Uani 1 1 d . . .
H22A H 0.2304 0.6020 0.4595 0.044 Uiso 1 1 calc R . .
H22B H 0.1266 0.5566 0.4591 0.044 Uiso 1 1 calc R . .
H22C H 0.1511 0.5502 0.3718 0.044 Uiso 1 1 calc R . .
C23 C 0.6328(2) 0.0688(2) 0.6700(2) 0.0323(7) Uani 1 1 d . . .
H23A H 0.6949 0.1086 0.6874 0.048 Uiso 1 1 calc R . .
H23B H 0.6335 0.0192 0.6278 0.048 Uiso 1 1 calc R . .
H23C H 0.6269 0.0427 0.7214 0.048 Uiso 1 1 calc R . .
C24 C 0.2893(2) -0.20335(19) 0.5643(2) 0.0276(6) Uani 1 1 d . . .
H24A H 0.2351 -0.2514 0.5533 0.041 Uiso 1 1 calc R . .
H24B H 0.3275 -0.1936 0.6270 0.041 Uiso 1 1 calc R . .
H24C H 0.3333 -0.2222 0.5339 0.041 Uiso 1 1 calc R . .
C25 C -0.1671(2) 0.05906(19) 0.30186(18) 0.0208(5) Uani 1 1 d . . .
H25A H -0.2271 0.0927 0.2930 0.025 Uiso 1 1 calc R . .
H25B H -0.1662 0.0123 0.3429 0.025 Uiso 1 1 calc R . .
C26 C -0.1750(2) 0.0106(2) 0.21468(19) 0.0265(6) Uani 1 1 d . . .
H26A H -0.1623 0.0564 0.1774 0.032 Uiso 1 1 calc R . .
H26B H -0.1234 -0.0336 0.2249 0.032 Uiso 1 1 calc R . .
C27 C -0.2777(2) -0.0404(2) 0.1672(2) 0.0307(7) Uani 1 1 d . . .
H27A H -0.2938 -0.0802 0.2075 0.037 Uiso 1 1 calc R . .
H27B H -0.3282 0.0049 0.1510 0.037 Uiso 1 1 calc R . .
C28 C -0.2848(3) -0.0987(3) 0.0857(2) 0.0474(10) Uani 1 1 d . . .
H28A H -0.3559 -0.1112 0.0481 0.057 Uiso 1 1 calc R . .
H28B H -0.2514 -0.0634 0.0532 0.057 Uiso 1 1 calc R . .
C29 C -0.2387(4) -0.1892(4) 0.1033(3) 0.0689(14) Uani 1 1 d . . .
H29A H -0.2713 -0.2243 0.1366 0.083 Uiso 1 1 calc R . .
H29B H -0.1672 -0.1768 0.1399 0.083 Uiso 1 1 calc R . .
C30 C -0.2481(6) -0.2471(4) 0.0211(4) 0.097(2) Uani 1 1 d . . .
H30A H -0.3187 -0.2631 -0.0138 0.145 Uiso 1 1 calc R . .
H30B H -0.2146 -0.3033 0.0366 0.145 Uiso 1 1 calc R . .
H30C H -0.2170 -0.2124 -0.0128 0.145 Uiso 1 1 calc R . .
C31 C 0.4003(3) 0.5364(2) 0.5532(2) 0.0331(7) Uani 1 1 d . . .
H31A H 0.3926 0.5864 0.5143 0.040 Uiso 1 1 calc R . .
H31B H 0.4681 0.5160 0.5670 0.040 Uiso 1 1 calc R . .
C32 C 0.3871(3) 0.5730(3) 0.6398(3) 0.0490(10) Uani 1 1 d . . .
H32A H 0.4338 0.6281 0.6655 0.059 Uiso 1 1 calc R . .
H32B H 0.3185 0.5918 0.6253 0.059 Uiso 1 1 calc R . .
C33 C 0.4052(4) 0.5039(3) 0.7068(3) 0.0538(11) Uani 1 1 d . . .
H33A H 0.4749 0.4875 0.7237 0.065 Uiso 1 1 calc R . .
H33B H 0.3609 0.4475 0.6803 0.065 Uiso 1 1 calc R . .
C34 C 0.3871(4) 0.5384(4) 0.7886(3) 0.0731(16) Uani 1 1 d . . .
H34A H 0.3204 0.5620 0.7716 0.088 Uiso 1 1 calc R . .
H34B H 0.4373 0.5897 0.8198 0.088 Uiso 1 1 calc R . .
C35 C 0.3936(5) 0.4597(4) 0.8520(3) 0.0744(15) Uani 1 1 d . . .
H35A H 0.3490 0.4056 0.8186 0.089 Uiso 1 1 calc R . .
H35B H 0.4626 0.4410 0.8739 0.089 Uiso 1 1 calc R . .
C36 C 0.3658(6) 0.4879(6) 0.9263(5) 0.114(3) Uani 1 1 d . . .
H36A H 0.4066 0.5439 0.9573 0.171 Uiso 1 1 calc R . .
H36B H 0.3769 0.4390 0.9658 0.171 Uiso 1 1 calc R . .
H36C H 0.2953 0.4998 0.9054 0.171 Uiso 1 1 calc R . .
C37 C 0.6446(2) 0.2822(2) 0.6511(2) 0.0254(6) Uani 1 1 d . . .
H37A H 0.6394 0.3255 0.6063 0.031 Uiso 1 1 calc R . .
H37B H 0.7045 0.2487 0.6588 0.031 Uiso 1 1 calc R . .
C38 C 0.6574(3) 0.3363(2) 0.7371(2) 0.0325(7) Uani 1 1 d . . .
H38A H 0.5910 0.3512 0.7363 0.039 Uiso 1 1 calc R . .
H38B H 0.6856 0.2971 0.7853 0.039 Uiso 1 1 calc R . .
C39 C 0.7244(3) 0.4247(2) 0.7550(3) 0.0398(8) Uani 1 1 d . . .
H39A H 0.7909 0.4102 0.7555 0.048 Uiso 1 1 calc R . .
H39B H 0.6960 0.4645 0.7073 0.048 Uiso 1 1 calc R . .
C40 C 0.7364(4) 0.4763(3) 0.8408(3) 0.0624(13) Uani 1 1 d . . .
H40A H 0.7626 0.4356 0.8881 0.075 Uiso 1 1 calc R . .
H40B H 0.6702 0.4924 0.8394 0.075 Uiso 1 1 calc R . .
C41 C 0.8075(5) 0.5652(4) 0.8617(4) 0.088(2) Uani 1 1 d . . .
H41A H 0.8167 0.5919 0.9209 0.105 Uiso 1 1 calc R . .
H41B H 0.8733 0.5488 0.8623 0.105 Uiso 1 1 calc R . .
C42 C 0.7722(5) 0.6365(4) 0.7993(6) 0.117(3) Uani 1 1 d . . .
H42A H 0.7735 0.6147 0.7425 0.176 Uiso 1 1 calc R . .
H42B H 0.8159 0.6931 0.8214 0.176 Uiso 1 1 calc R . .
H42C H 0.7039 0.6484 0.7932 0.176 Uiso 1 1 calc R . .
C43 C 0.0692(2) -0.18995(19) 0.44789(19) 0.0232(6) Uani 1 1 d . . .
H43A H 0.0031 -0.1659 0.4347 0.028 Uiso 1 1 calc R . .
H43B H 0.0781 -0.2326 0.4938 0.028 Uiso 1 1 calc R . .
C44 C 0.0717(2) -0.2428(2) 0.3658(2) 0.0264(6) Uani 1 1 d . . .
H44A H 0.1366 -0.2695 0.3806 0.032 Uiso 1 1 calc R . .
H44B H 0.0191 -0.2942 0.3483 0.032 Uiso 1 1 calc R . .
C45 C 0.0571(3) -0.1873(2) 0.2887(2) 0.0285(6) Uani 1 1 d . . .
H45A H 0.1127 -0.1389 0.3038 0.034 Uiso 1 1 calc R . .
H45B H -0.0055 -0.1569 0.2757 0.034 Uiso 1 1 calc R . .
C46 C 0.0527(3) -0.2461(2) 0.2079(2) 0.0348(8) Uani 1 1 d . . .
H46A H 0.1104 -0.2838 0.2240 0.042 Uiso 1 1 calc R . .
H46B H -0.0085 -0.2885 0.1884 0.042 Uiso 1 1 calc R . .
C47 C 0.0532(4) -0.1932(3) 0.1330(3) 0.0498(10) Uani 1 1 d . . .
H47A H 0.1146 -0.1511 0.1522 0.060 Uiso 1 1 calc R . .
H47B H -0.0044 -0.1553 0.1169 0.060 Uiso 1 1 calc R . .
C48 C 0.0482(5) -0.2531(4) 0.0527(3) 0.0734(16) Uani 1 1 d . . .
H48A H 0.1072 -0.2879 0.0670 0.110 Uiso 1 1 calc R . .
H48B H 0.0461 -0.2142 0.0060 0.110 Uiso 1 1 calc R . .
H48C H -0.0120 -0.2956 0.0336 0.110 Uiso 1 1 calc R . .
C49 C 0.0125(2) 0.41061(19) 0.3506(2) 0.0263(6) Uani 1 1 d . . .
C50 C 0.0055(3) 0.4366(2) 0.2697(2) 0.0379(8) Uani 1 1 d . . .
H50 H 0.0433 0.4087 0.2398 0.045 Uiso 1 1 calc R . .
C51 C -0.0570(3) 0.5037(3) 0.2320(3) 0.0522(11) Uani 1 1 d . . .
H51 H -0.0617 0.5211 0.1763 0.063 Uiso 1 1 calc R . .
C52 C -0.1117(3) 0.5449(3) 0.2748(3) 0.0584(14) Uani 1 1 d . . .
H52 H -0.1534 0.5911 0.2488 0.070 Uiso 1 1 calc R . .
C53 C -0.1062(3) 0.5195(3) 0.3545(3) 0.0502(11) Uani 1 1 d . . .
H53 H -0.1438 0.5480 0.3842 0.060 Uiso 1 1 calc R . .
C54 C -0.0448(3) 0.4513(2) 0.3919(2) 0.0348(8) Uani 1 1 d . . .
H54 H -0.0423 0.4325 0.4467 0.042 Uiso 1 1 calc R . .
C55 C 0.4570(2) -0.06156(18) 0.64370(18) 0.0188(5) Uani 1 1 d . . .
C56 C 0.4610(2) -0.0600(2) 0.72903(19) 0.0254(6) Uani 1 1 d . . .
H56 H 0.4292 -0.0146 0.7507 0.031 Uiso 1 1 calc R . .
C57 C 0.5116(3) -0.1249(3) 0.7832(2) 0.0384(8) Uani 1 1 d . . .
H57 H 0.5140 -0.1237 0.8415 0.046 Uiso 1 1 calc R . .
C58 C 0.5579(3) -0.1905(2) 0.7520(2) 0.0391(9) Uani 1 1 d . . .
H58 H 0.5912 -0.2352 0.7886 0.047 Uiso 1 1 calc R . .
C59 C 0.5560(2) -0.1915(2) 0.6679(2) 0.0325(7) Uani 1 1 d . . .
H59 H 0.5889 -0.2363 0.6469 0.039 Uiso 1 1 calc R . .
C60 C 0.5061(2) -0.1269(2) 0.6136(2) 0.0251(6) Uani 1 1 d . . .
H60 H 0.5055 -0.1275 0.5558 0.030 Uiso 1 1 calc R . .
C61 C 0.2075(2) 0.11671(19) 0.29513(18) 0.0199(5) Uani 1 1 d . . .
C62 C 0.1529(2) 0.0858(2) 0.20615(17) 0.0229(6) Uani 1 1 d . . .
C63 C 0.0498(2) 0.0833(3) 0.17799(19) 0.0320(7) Uani 1 1 d . . .
H63 H 0.0202 0.1055 0.2176 0.038 Uiso 1 1 calc R . .
C64 C 0.0336(2) 0.0194(2) 0.04350(17) 0.0230(6) Uani 1 1 d . . .
C65 C 0.1357(2) 0.0210(2) 0.06616(18) 0.0257(6) Uani 1 1 d . . .
H65 H 0.1631 -0.0013 0.0250 0.031 Uiso 1 1 calc R . .
C66 C 0.1974(2) 0.0548(2) 0.14864(19) 0.0275(6) Uani 1 1 d . . .
H66 H 0.2679 0.0570 0.1657 0.033 Uiso 1 1 calc R . .
C67 C -0.6964(6) -0.1641(6) -0.0179(5) 0.1300(12) Uiso 1 1 d D . .
H67A H -0.6720 -0.1102 -0.0401 0.156 Uiso 1 1 calc R . .
H67B H -0.7700 -0.1705 -0.0446 0.156 Uiso 1 1 calc R . .
C68 C -0.6658(6) -0.1484(6) 0.0787(5) 0.1300(12) Uiso 1 1 d D . .
H68A H -0.6830 -0.0867 0.0933 0.156 Uiso 1 1 calc R . .
H68B H -0.7045 -0.1938 0.0987 0.156 Uiso 1 1 calc R . .
C69 C -0.5581(6) -0.1553(6) 0.1268(5) 0.1300(12) Uiso 1 1 d D . .
H69A H -0.5201 -0.1009 0.1181 0.156 Uiso 1 1 calc R . .
H69B H -0.5460 -0.1545 0.1898 0.156 Uiso 1 1 calc R . .
C70 C -0.5206(6) -0.2385(6) 0.0995(5) 0.1300(12) Uiso 1 1 d D . .
H70A H -0.5501 -0.2930 0.1170 0.156 Uiso 1 1 calc R . .
H70B H -0.4473 -0.2357 0.1293 0.156 Uiso 1 1 calc R . .
C71 C -0.5462(6) -0.2480(6) 0.0025(5) 0.1300(12) Uiso 1 1 d D . .
H71A H -0.5119 -0.1962 -0.0144 0.156 Uiso 1 1 calc R . .
H71B H -0.5225 -0.3055 -0.0144 0.156 Uiso 1 1 calc R . .
C72 C -0.6560(6) -0.2488(6) -0.0448(5) 0.1300(12) Uiso 1 1 d D . .
H72A H -0.6898 -0.3039 -0.0323 0.156 Uiso 1 1 calc R . .
H72B H -0.6706 -0.2522 -0.1083 0.156 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'
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'
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
N2 Rh1 N4 179.02(9) . . ?
N2 Rh1 N3 93.08(9) . . ?
N4 Rh1 N3 86.92(9) . . ?
N2 Rh1 N5 91.53(9) . . ?
N4 Rh1 N5 87.49(9) . . ?
N3 Rh1 N5 95.15(9) . . ?
N2 Rh1 N1 87.05(9) . . ?
N4 Rh1 N1 92.91(9) . . ?
N3 Rh1 N1 177.89(9) . . ?
N5 Rh1 N1 82.74(9) . . ?
N2 Rh1 I1 88.60(6) . . ?
N4 Rh1 I1 92.37(6) . . ?
N3 Rh1 I1 88.31(6) . . ?
N5 Rh1 I1 176.52(7) . . ?
N1 Rh1 I1 93.80(6) . . ?
C2 N1 C5 106.6(2) . . ?
C2 N1 Rh1 123.38(17) . . ?
C5 N1 Rh1 129.57(19) . . ?
C10 N2 C7 107.2(2) . . ?
C10 N2 Rh1 123.03(17) . . ?
C7 N2 Rh1 129.27(19) . . ?
C12 N3 C15 106.9(2) . . ?
C12 N3 Rh1 123.20(17) . . ?
C15 N3 Rh1 129.72(19) . . ?
C20 N4 C17 107.0(2) . . ?
C20 N4 Rh1 123.46(17) . . ?
C17 N4 Rh1 129.58(19) . . ?
C61 N5 Rh1 155.9(2) . . ?
C63 N6 C64 117.9(3) . . ?
C2 C1 C20 127.8(3) . . ?
C2 C1 H1 116.1 . . ?
C20 C1 H1 116.1 . . ?
N1 C2 C1 126.1(2) . . ?
N1 C2 C3 110.3(2) . . ?
C1 C2 C3 123.6(3) . . ?
C4 C3 C2 107.3(3) . . ?
C4 C3 C25 127.5(2) . . ?
C2 C3 C25 125.1(2) . . ?
C3 C4 C5 106.3(2) . . ?
C3 C4 C21 123.5(3) . . ?
C5 C4 C21 130.2(3) . . ?
N1 C5 C6 124.0(3) . . ?
N1 C5 C4 109.5(2) . . ?
C6 C5 C4 126.5(2) . . ?
C5 C6 C7 125.1(2) . . ?
C5 C6 C49 117.3(3) . . ?
C7 C6 C49 117.6(2) . . ?
N2 C7 C6 124.4(2) . . ?
N2 C7 C8 108.8(2) . . ?
C6 C7 C8 126.9(2) . . ?
C9 C8 C7 106.9(2) . . ?
C9 C8 C22 123.3(3) . . ?
C7 C8 C22 129.8(3) . . ?
C8 C9 C10 106.7(3) . . ?
C8 C9 C31 127.5(3) . . ?
C10 C9 C31 125.4(3) . . ?
N2 C10 C11 126.0(2) . . ?
N2 C10 C9 110.3(2) . . ?
C11 C10 C9 123.6(3) . . ?
C10 C11 C12 128.2(3) . . ?
C10 C11 H11 115.9 . . ?
C12 C11 H11 115.9 . . ?
N3 C12 C11 125.8(3) . . ?
N3 C12 C13 110.2(2) . . ?
C11 C12 C13 123.9(3) . . ?
C14 C13 C12 107.1(3) . . ?
C14 C13 C37 129.8(3) . . ?
C12 C13 C37 123.0(2) . . ?
C13 C14 C15 106.7(2) . . ?
C13 C14 C23 124.1(3) . . ?
C15 C14 C23 129.2(3) . . ?
N3 C15 C16 124.1(3) . . ?
N3 C15 C14 109.0(2) . . ?
C16 C15 C14 126.9(2) . . ?
C17 C16 C15 125.0(2) . . ?
C17 C16 C55 116.7(2) . . ?
C15 C16 C55 118.0(2) . . ?
N4 C17 C16 124.3(2) . . ?
N4 C17 C18 108.9(2) . . ?
C16 C17 C18 126.8(2) . . ?
C19 C18 C17 106.7(2) . . ?
C19 C18 C24 122.7(3) . . ?
C17 C18 C24 130.6(3) . . ?
C18 C19 C20 107.1(2) . . ?
C18 C19 C43 127.5(2) . . ?
C20 C19 C43 125.4(2) . . ?
N4 C20 C1 126.3(2) . . ?
N4 C20 C19 110.3(2) . . ?
C1 C20 C19 123.4(3) . . ?
C4 C21 H21A 109.5 . . ?
C4 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C4 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C8 C22 H22A 109.5 . . ?
C8 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C8 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C14 C23 H23A 109.5 . . ?
C14 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C14 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C18 C24 H24A 109.5 . . ?
C18 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C18 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C3 C25 C26 113.6(2) . . ?
C3 C25 H25A 108.8 . . ?
C26 C25 H25A 108.8 . . ?
C3 C25 H25B 108.8 . . ?
C26 C25 H25B 108.8 . . ?
H25A C25 H25B 107.7 . . ?
C27 C26 C25 111.8(2) . . ?
C27 C26 H26A 109.3 . . ?
C25 C26 H26A 109.3 . . ?
C27 C26 H26B 109.3 . . ?
C25 C26 H26B 109.3 . . ?
H26A C26 H26B 107.9 . . ?
C28 C27 C26 113.5(3) . . ?
C28 C27 H27A 108.9 . . ?
C26 C27 H27A 108.9 . . ?
C28 C27 H27B 108.9 . . ?
C26 C27 H27B 108.9 . . ?
H27A C27 H27B 107.7 . . ?
C29 C28 C27 114.1(3) . . ?
C29 C28 H28A 108.7 . . ?
C27 C28 H28A 108.7 . . ?
C29 C28 H28B 108.7 . . ?
C27 C28 H28B 108.7 . . ?
H28A C28 H28B 107.6 . . ?
C28 C29 C30 113.3(5) . . ?
C28 C29 H29A 108.9 . . ?
C30 C29 H29A 108.9 . . ?
C28 C29 H29B 108.9 . . ?
C30 C29 H29B 108.9 . . ?
H29A C29 H29B 107.7 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C9 C31 C32 110.6(3) . . ?
C9 C31 H31A 109.5 . . ?
C32 C31 H31A 109.5 . . ?
C9 C31 H31B 109.5 . . ?
C32 C31 H31B 109.5 . . ?
H31A C31 H31B 108.1 . . ?
C33 C32 C31 113.9(3) . . ?
C33 C32 H32A 108.8 . . ?
C31 C32 H32A 108.8 . . ?
C33 C32 H32B 108.8 . . ?
C31 C32 H32B 108.8 . . ?
H32A C32 H32B 107.7 . . ?
C32 C33 C34 113.4(4) . . ?
C32 C33 H33A 108.9 . . ?
C34 C33 H33A 108.9 . . ?
C32 C33 H33B 108.9 . . ?
C34 C33 H33B 108.9 . . ?
H33A C33 H33B 107.7 . . ?
C33 C34 C35 111.7(4) . . ?
C33 C34 H34A 109.3 . . ?
C35 C34 H34A 109.3 . . ?
C33 C34 H34B 109.3 . . ?
C35 C34 H34B 109.3 . . ?
H34A C34 H34B 107.9 . . ?
C36 C35 C34 112.9(5) . . ?
C36 C35 H35A 109.0 . . ?
C34 C35 H35A 109.0 . . ?
C36 C35 H35B 109.0 . . ?
C34 C35 H35B 109.0 . . ?
H35A C35 H35B 107.8 . . ?
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 . . ?
C13 C37 C38 112.6(3) . . ?
C13 C37 H37A 109.1 . . ?
C38 C37 H37A 109.1 . . ?
C13 C37 H37B 109.1 . . ?
C38 C37 H37B 109.1 . . ?
H37A C37 H37B 107.8 . . ?
C39 C38 C37 113.6(3) . . ?
C39 C38 H38A 108.8 . . ?
C37 C38 H38A 108.8 . . ?
C39 C38 H38B 108.8 . . ?
C37 C38 H38B 108.8 . . ?
H38A C38 H38B 107.7 . . ?
C40 C39 C38 112.5(3) . . ?
C40 C39 H39A 109.1 . . ?
C38 C39 H39A 109.1 . . ?
C40 C39 H39B 109.1 . . ?
C38 C39 H39B 109.1 . . ?
H39A C39 H39B 107.8 . . ?
C39 C40 C41 113.2(4) . . ?
C39 C40 H40A 108.9 . . ?
C41 C40 H40A 108.9 . . ?
C39 C40 H40B 108.9 . . ?
C41 C40 H40B 108.9 . . ?
H40A C40 H40B 107.7 . . ?
C42 C41 C40 114.6(5) . . ?
C42 C41 H41A 108.6 . . ?
C40 C41 H41A 108.6 . . ?
C42 C41 H41B 108.6 . . ?
C40 C41 H41B 108.6 . . ?
H41A C41 H41B 107.6 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C19 C43 C44 112.8(2) . . ?
C19 C43 H43A 109.0 . . ?
C44 C43 H43A 109.0 . . ?
C19 C43 H43B 109.0 . . ?
C44 C43 H43B 109.0 . . ?
H43A C43 H43B 107.8 . . ?
C45 C44 C43 115.6(2) . . ?
C45 C44 H44A 108.4 . . ?
C43 C44 H44A 108.4 . . ?
C45 C44 H44B 108.4 . . ?
C43 C44 H44B 108.4 . . ?
H44A C44 H44B 107.4 . . ?
C44 C45 C46 112.3(2) . . ?
C44 C45 H45A 109.1 . . ?
C46 C45 H45A 109.1 . . ?
C44 C45 H45B 109.1 . . ?
C46 C45 H45B 109.1 . . ?
H45A C45 H45B 107.9 . . ?
C47 C46 C45 114.7(3) . . ?
C47 C46 H46A 108.6 . . ?
C45 C46 H46A 108.6 . . ?
C47 C46 H46B 108.6 . . ?
C45 C46 H46B 108.6 . . ?
H46A C46 H46B 107.6 . . ?
C46 C47 C48 114.0(4) . . ?
C46 C47 H47A 108.8 . . ?
C48 C47 H47A 108.8 . . ?
C46 C47 H47B 108.8 . . ?
C48 C47 H47B 108.8 . . ?
H47A C47 H47B 107.7 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C50 C49 C54 118.7(3) . . ?
C50 C49 C6 121.1(3) . . ?
C54 C49 C6 120.2(3) . . ?
C49 C50 C51 120.1(4) . . ?
C49 C50 H50 120.0 . . ?
C51 C50 H50 120.0 . . ?
C52 C51 C50 120.5(4) . . ?
C52 C51 H51 119.7 . . ?
C50 C51 H51 119.7 . . ?
C53 C52 C51 120.1(3) . . ?
C53 C52 H52 119.9 . . ?
C51 C52 H52 119.9 . . ?
C52 C53 C54 119.5(4) . . ?
C52 C53 H53 120.3 . . ?
C54 C53 H53 120.3 . . ?
C49 C54 C53 121.1(4) . . ?
C49 C54 H54 119.4 . . ?
C53 C54 H54 119.4 . . ?
C56 C55 C60 119.2(3) . . ?
C56 C55 C16 117.5(2) . . ?
C60 C55 C16 123.2(2) . . ?
C55 C56 C57 120.2(3) . . ?
C55 C56 H56 119.9 . . ?
C57 C56 H56 119.9 . . ?
C58 C57 C56 120.0(3) . . ?
C58 C57 H57 120.0 . . ?
C56 C57 H57 120.0 . . ?
C57 C58 C59 120.2(3) . . ?
C57 C58 H58 119.9 . . ?
C59 C58 H58 119.9 . . ?
C58 C59 C60 120.1(3) . . ?
C58 C59 H59 119.9 . . ?
C60 C59 H59 119.9 . . ?
C59 C60 C55 120.2(3) . . ?
C59 C60 H60 119.9 . . ?
C55 C60 H60 119.9 . . ?
N5 C61 C62 171.8(3) . . ?
C63 C62 C66 119.4(3) . . ?
C63 C62 C61 117.0(3) . . ?
C66 C62 C61 123.5(3) . . ?
N6 C63 C62 122.7(3) . . ?
N6 C63 H63 118.7 . . ?
C62 C63 H63 118.7 . . ?
N6 C64 C65 122.8(3) . . ?
N6 C64 C64 116.9(3) . 2 ?
C65 C64 C64 120.2(3) . 2 ?
C66 C65 C64 119.6(3) . . ?
C66 C65 H65 120.2 . . ?
C64 C65 H65 120.2 . . ?
C65 C66 C62 117.6(3) . . ?
C65 C66 H66 121.2 . . ?
C62 C66 H66 121.2 . . ?
C68 C67 C72 112.2(5) . . ?
C68 C67 H67A 109.2 . . ?
C72 C67 H67A 109.2 . . ?
C68 C67 H67B 109.2 . . ?
C72 C67 H67B 109.2 . . ?
H67A C67 H67B 107.9 . . ?
C69 C68 C67 113.9(6) . . ?
C69 C68 H68A 108.8 . . ?
C67 C68 H68A 108.8 . . ?
C69 C68 H68B 108.8 . . ?
C67 C68 H68B 108.8 . . ?
H68A C68 H68B 107.7 . . ?
C70 C69 C68 113.5(6) . . ?
C70 C69 H69A 108.9 . . ?
C68 C69 H69A 108.9 . . ?
C70 C69 H69B 108.9 . . ?
C68 C69 H69B 108.9 . . ?
H69A C69 H69B 107.7 . . ?
C69 C70 C71 111.1(5) . . ?
C69 C70 H70A 109.4 . . ?
C71 C70 H70A 109.4 . . ?
C69 C70 H70B 109.4 . . ?
C71 C70 H70B 109.4 . . ?
H70A C70 H70B 108.0 . . ?
C72 C71 C70 111.0(6) . . ?
C72 C71 H71A 109.4 . . ?
C70 C71 H71A 109.4 . . ?
C72 C71 H71B 109.4 . . ?
C70 C71 H71B 109.4 . . ?
H71A C71 H71B 108.0 . . ?
C71 C72 C67 111.3(6) . . ?
C71 C72 H72A 109.4 . . ?
C67 C72 H72A 109.4 . . ?
C71 C72 H72B 109.4 . . ?
C67 C72 H72B 109.4 . . ?
H72A C72 H72B 108.0 . . ?
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
I1 Rh1 2.6022(3) . ?
Rh1 N2 2.041(2) . ?
Rh1 N4 2.042(2) . ?
Rh1 N3 2.042(2) . ?
Rh1 N5 2.054(2) . ?
Rh1 N1 2.054(2) . ?
N1 C2 1.369(3) . ?
N1 C5 1.377(3) . ?
N2 C10 1.356(4) . ?
N2 C7 1.382(3) . ?
N3 C12 1.359(3) . ?
N3 C15 1.379(3) . ?
N4 C20 1.368(4) . ?
N4 C17 1.381(3) . ?
N5 C61 1.146(4) . ?
N6 C63 1.324(4) . ?
N6 C64 1.340(4) . ?
C1 C2 1.380(4) . ?
C1 C20 1.391(4) . ?
C1 H1 0.9500 . ?
C2 C3 1.446(4) . ?
C3 C4 1.358(4) . ?
C3 C25 1.510(4) . ?
C4 C5 1.470(4) . ?
C4 C21 1.498(4) . ?
C5 C6 1.399(4) . ?
C6 C7 1.406(4) . ?
C6 C49 1.499(4) . ?
C7 C8 1.460(4) . ?
C8 C9 1.364(4) . ?
C8 C22 1.504(4) . ?
C9 C10 1.445(4) . ?
C9 C31 1.498(4) . ?
C10 C11 1.375(4) . ?
C11 C12 1.390(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.447(4) . ?
C13 C14 1.354(4) . ?
C13 C37 1.505(4) . ?
C14 C15 1.464(4) . ?
C14 C23 1.508(4) . ?
C15 C16 1.403(4) . ?
C16 C17 1.397(4) . ?
C16 C55 1.501(3) . ?
C17 C18 1.463(4) . ?
C18 C19 1.365(4) . ?
C18 C24 1.505(4) . ?
C19 C20 1.438(4) . ?
C19 C43 1.499(4) . ?
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 1.529(4) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.529(4) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.518(5) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.515(7) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.516(6) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.574(6) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.511(6) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.526(6) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.590(8) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.465(9) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.529(4) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.520(5) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40 1.513(6) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 C41 1.552(7) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.493(9) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.532(4) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.510(4) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.522(4) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 C47 1.501(5) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.521(6) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C50 1.381(5) . ?
C49 C54 1.382(5) . ?
C50 C51 1.393(5) . ?
C50 H50 0.9500 . ?
C51 C52 1.373(7) . ?
C51 H51 0.9500 . ?
C52 C53 1.365(7) . ?
C52 H52 0.9500 . ?
C53 C54 1.397(5) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C55 C56 1.388(4) . ?
C55 C60 1.392(4) . ?
C56 C57 1.398(4) . ?
C56 H56 0.9500 . ?
C57 C58 1.376(5) . ?
C57 H57 0.9500 . ?
C58 C59 1.379(5) . ?
C58 H58 0.9500 . ?
C59 C60 1.391(4) . ?
C59 H59 0.9500 . ?
C60 H60 0.9500 . ?
C61 C62 1.426(4) . ?
C62 C63 1.389(4) . ?
C62 C66 1.391(4) . ?
C63 H63 0.9500 . ?
C64 C65 1.383(4) . ?
C64 C64 1.472(6) 2 ?
C65 C66 1.376(4) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
C67 C68 1.493(7) . ?
C67 C72 1.509(7) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C68 C69 1.482(7) . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C69 C70 1.473(7) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C70 C71 1.506(7) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C71 C72 1.493(8) . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
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
N2 Rh1 N1 C2 175.9(2) . . . . ?
N4 Rh1 N1 C2 -3.2(2) . . . . ?
N3 Rh1 N1 C2 82(2) . . . . ?
N5 Rh1 N1 C2 83.9(2) . . . . ?
I1 Rh1 N1 C2 -95.7(2) . . . . ?
N2 Rh1 N1 C5 4.5(2) . . . . ?
N4 Rh1 N1 C5 -174.5(2) . . . . ?
N3 Rh1 N1 C5 -89(2) . . . . ?
N5 Rh1 N1 C5 -87.4(2) . . . . ?
I1 Rh1 N1 C5 92.9(2) . . . . ?
N4 Rh1 N2 C10 -98(5) . . . . ?
N3 Rh1 N2 C10 -7.8(2) . . . . ?
N5 Rh1 N2 C10 -103.0(2) . . . . ?
N1 Rh1 N2 C10 174.3(2) . . . . ?
I1 Rh1 N2 C10 80.5(2) . . . . ?
N4 Rh1 N2 C7 91(5) . . . . ?
N3 Rh1 N2 C7 -178.8(2) . . . . ?
N5 Rh1 N2 C7 85.9(2) . . . . ?
N1 Rh1 N2 C7 3.3(2) . . . . ?
I1 Rh1 N2 C7 -90.6(2) . . . . ?
N2 Rh1 N3 C12 2.0(2) . . . . ?
N4 Rh1 N3 C12 -179.0(2) . . . . ?
N5 Rh1 N3 C12 93.8(2) . . . . ?
N1 Rh1 N3 C12 96(2) . . . . ?
I1 Rh1 N3 C12 -86.5(2) . . . . ?
N2 Rh1 N3 C15 177.0(2) . . . . ?
N4 Rh1 N3 C15 -4.0(2) . . . . ?
N5 Rh1 N3 C15 -91.2(2) . . . . ?
N1 Rh1 N3 C15 -89(2) . . . . ?
I1 Rh1 N3 C15 88.4(2) . . . . ?
N2 Rh1 N4 C20 -85(5) . . . . ?
N3 Rh1 N4 C20 -175.7(2) . . . . ?
N5 Rh1 N4 C20 -80.4(2) . . . . ?
N1 Rh1 N4 C20 2.2(2) . . . . ?
I1 Rh1 N4 C20 96.1(2) . . . . ?
N2 Rh1 N4 C17 95(5) . . . . ?
N3 Rh1 N4 C17 5.0(2) . . . . ?
N5 Rh1 N4 C17 100.3(2) . . . . ?
N1 Rh1 N4 C17 -177.1(2) . . . . ?
I1 Rh1 N4 C17 -83.2(2) . . . . ?
N2 Rh1 N5 C61 -105.1(5) . . . . ?
N4 Rh1 N5 C61 75.0(5) . . . . ?
N3 Rh1 N5 C61 161.7(5) . . . . ?
N1 Rh1 N5 C61 -18.3(5) . . . . ?
I1 Rh1 N5 C61 -12.9(15) . . . . ?
C5 N1 C2 C1 176.4(3) . . . . ?
Rh1 N1 C2 C1 3.4(4) . . . . ?
C5 N1 C2 C3 -0.9(3) . . . . ?
Rh1 N1 C2 C3 -173.97(17) . . . . ?
C20 C1 C2 N1 -1.5(4) . . . . ?
C20 C1 C2 C3 175.5(3) . . . . ?
N1 C2 C3 C4 1.6(3) . . . . ?
C1 C2 C3 C4 -175.8(3) . . . . ?
N1 C2 C3 C25 178.9(2) . . . . ?
C1 C2 C3 C25 1.5(4) . . . . ?
C2 C3 C4 C5 -1.6(3) . . . . ?
C25 C3 C4 C5 -178.7(3) . . . . ?
C2 C3 C4 C21 177.9(3) . . . . ?
C25 C3 C4 C21 0.8(5) . . . . ?
C2 N1 C5 C6 179.8(3) . . . . ?
Rh1 N1 C5 C6 -7.8(4) . . . . ?
C2 N1 C5 C4 -0.1(3) . . . . ?
Rh1 N1 C5 C4 172.39(18) . . . . ?
C3 C4 C5 N1 1.1(3) . . . . ?
C21 C4 C5 N1 -178.4(3) . . . . ?
C3 C4 C5 C6 -178.8(3) . . . . ?
C21 C4 C5 C6 1.8(5) . . . . ?
N1 C5 C6 C7 2.4(4) . . . . ?
C4 C5 C6 C7 -177.8(3) . . . . ?
N1 C5 C6 C49 -176.8(3) . . . . ?
C4 C5 C6 C49 3.0(4) . . . . ?
C10 N2 C7 C6 179.4(3) . . . . ?
Rh1 N2 C7 C6 -8.5(4) . . . . ?
C10 N2 C7 C8 -1.2(3) . . . . ?
Rh1 N2 C7 C8 170.91(18) . . . . ?
C5 C6 C7 N2 5.9(5) . . . . ?
C49 C6 C7 N2 -174.9(3) . . . . ?
C5 C6 C7 C8 -173.4(3) . . . . ?
C49 C6 C7 C8 5.8(4) . . . . ?
N2 C7 C8 C9 -0.2(3) . . . . ?
C6 C7 C8 C9 179.2(3) . . . . ?
N2 C7 C8 C22 -178.9(3) . . . . ?
C6 C7 C8 C22 0.4(5) . . . . ?
C7 C8 C9 C10 1.4(3) . . . . ?
C22 C8 C9 C10 -179.7(3) . . . . ?
C7 C8 C9 C31 -171.4(3) . . . . ?
C22 C8 C9 C31 7.4(5) . . . . ?
C7 N2 C10 C11 -176.7(3) . . . . ?
Rh1 N2 C10 C11 10.5(4) . . . . ?
C7 N2 C10 C9 2.2(3) . . . . ?
Rh1 N2 C10 C9 -170.58(18) . . . . ?
C8 C9 C10 N2 -2.3(3) . . . . ?
C31 C9 C10 N2 170.8(3) . . . . ?
C8 C9 C10 C11 176.6(3) . . . . ?
C31 C9 C10 C11 -10.3(5) . . . . ?
N2 C10 C11 C12 -5.4(5) . . . . ?
C9 C10 C11 C12 175.9(3) . . . . ?
C15 N3 C12 C11 -173.9(3) . . . . ?
Rh1 N3 C12 C11 2.1(4) . . . . ?
C15 N3 C12 C13 3.3(3) . . . . ?
Rh1 N3 C12 C13 179.23(17) . . . . ?
C10 C11 C12 N3 -1.8(5) . . . . ?
C10 C11 C12 C13 -178.5(3) . . . . ?
N3 C12 C13 C14 -2.0(3) . . . . ?
C11 C12 C13 C14 175.2(3) . . . . ?
N3 C12 C13 C37 -179.9(2) . . . . ?
C11 C12 C13 C37 -2.7(4) . . . . ?
C12 C13 C14 C15 0.0(3) . . . . ?
C37 C13 C14 C15 177.7(3) . . . . ?
C12 C13 C14 C23 177.0(3) . . . . ?
C37 C13 C14 C23 -5.3(5) . . . . ?
C12 N3 C15 C16 175.4(2) . . . . ?
Rh1 N3 C15 C16 -0.2(4) . . . . ?
C12 N3 C15 C14 -3.2(3) . . . . ?
Rh1 N3 C15 C14 -178.86(18) . . . . ?
C13 C14 C15 N3 2.0(3) . . . . ?
C23 C14 C15 N3 -174.8(3) . . . . ?
C13 C14 C15 C16 -176.6(3) . . . . ?
C23 C14 C15 C16 6.6(5) . . . . ?
N3 C15 C16 C17 5.9(4) . . . . ?
C14 C15 C16 C17 -175.7(3) . . . . ?
N3 C15 C16 C55 -167.4(2) . . . . ?
C14 C15 C16 C55 11.0(4) . . . . ?
C20 N4 C17 C16 178.8(2) . . . . ?
Rh1 N4 C17 C16 -1.8(4) . . . . ?
C20 N4 C17 C18 0.6(3) . . . . ?
Rh1 N4 C17 C18 179.91(17) . . . . ?
C15 C16 C17 N4 -4.9(4) . . . . ?
C55 C16 C17 N4 168.5(2) . . . . ?
C15 C16 C17 C18 173.1(3) . . . . ?
C55 C16 C17 C18 -13.6(4) . . . . ?
N4 C17 C18 C19 0.6(3) . . . . ?
C16 C17 C18 C19 -177.6(3) . . . . ?
N4 C17 C18 C24 -180.0(3) . . . . ?
C16 C17 C18 C24 1.8(5) . . . . ?
C17 C18 C19 C20 -1.5(3) . . . . ?
C24 C18 C19 C20 179.1(3) . . . . ?
C17 C18 C19 C43 176.5(3) . . . . ?
C24 C18 C19 C43 -2.9(5) . . . . ?
C17 N4 C20 C1 178.2(3) . . . . ?
Rh1 N4 C20 C1 -1.2(4) . . . . ?
C17 N4 C20 C19 -1.5(3) . . . . ?
Rh1 N4 C20 C19 179.10(17) . . . . ?
C2 C1 C20 N4 0.3(5) . . . . ?
C2 C1 C20 C19 180.0(3) . . . . ?
C18 C19 C20 N4 1.9(3) . . . . ?
C43 C19 C20 N4 -176.2(2) . . . . ?
C18 C19 C20 C1 -177.8(3) . . . . ?
C43 C19 C20 C1 4.1(4) . . . . ?
C4 C3 C25 C26 91.0(3) . . . . ?
C2 C3 C25 C26 -85.7(3) . . . . ?
C3 C25 C26 C27 -168.3(2) . . . . ?
C25 C26 C27 C28 -173.1(3) . . . . ?
C26 C27 C28 C29 78.4(4) . . . . ?
C27 C28 C29 C30 179.0(4) . . . . ?
C8 C9 C31 C32 76.9(4) . . . . ?
C10 C9 C31 C32 -94.7(4) . . . . ?
C9 C31 C32 C33 63.6(4) . . . . ?
C31 C32 C33 C34 -177.1(4) . . . . ?
C32 C33 C34 C35 172.8(4) . . . . ?
C33 C34 C35 C36 -173.7(5) . . . . ?
C14 C13 C37 C38 -96.6(4) . . . . ?
C12 C13 C37 C38 80.8(3) . . . . ?
C13 C37 C38 C39 -160.2(3) . . . . ?
C37 C38 C39 C40 -179.5(3) . . . . ?
C38 C39 C40 C41 178.1(4) . . . . ?
C39 C40 C41 C42 63.7(6) . . . . ?
C18 C19 C43 C44 -80.9(4) . . . . ?
C20 C19 C43 C44 96.8(3) . . . . ?
C19 C43 C44 C45 -59.8(3) . . . . ?
C43 C44 C45 C46 -175.7(3) . . . . ?
C44 C45 C46 C47 -171.6(3) . . . . ?
C45 C46 C47 C48 -179.7(4) . . . . ?
C5 C6 C49 C50 -96.4(4) . . . . ?
C7 C6 C49 C50 84.3(4) . . . . ?
C5 C6 C49 C54 83.1(4) . . . . ?
C7 C6 C49 C54 -96.2(4) . . . . ?
C54 C49 C50 C51 1.1(5) . . . . ?
C6 C49 C50 C51 -179.4(3) . . . . ?
C49 C50 C51 C52 0.3(6) . . . . ?
C50 C51 C52 C53 -0.8(6) . . . . ?
C51 C52 C53 C54 -0.2(6) . . . . ?
C50 C49 C54 C53 -2.1(5) . . . . ?
C6 C49 C54 C53 178.4(3) . . . . ?
C52 C53 C54 C49 1.7(6) . . . . ?
C17 C16 C55 C56 -87.3(3) . . . . ?
C15 C16 C55 C56 86.5(3) . . . . ?
C17 C16 C55 C60 89.6(3) . . . . ?
C15 C16 C55 C60 -96.6(3) . . . . ?
C60 C55 C56 C57 -1.7(5) . . . . ?
C16 C55 C56 C57 175.3(3) . . . . ?
C55 C56 C57 C58 0.2(5) . . . . ?
C56 C57 C58 C59 1.1(6) . . . . ?
C57 C58 C59 C60 -0.9(5) . . . . ?
C58 C59 C60 C55 -0.6(5) . . . . ?
C56 C55 C60 C59 1.9(5) . . . . ?
C16 C55 C60 C59 -175.0(3) . . . . ?
Rh1 N5 C61 C62 2(3) . . . . ?
N5 C61 C62 C63 11(2) . . . . ?
N5 C61 C62 C66 -166.0(19) . . . . ?
C64 N6 C63 C62 0.7(5) . . . . ?
C66 C62 C63 N6 0.9(5) . . . . ?
C61 C62 C63 N6 -176.3(3) . . . . ?
C63 N6 C64 C65 -1.8(5) . . . . ?
C63 N6 C64 C64 177.4(3) . . . 2 ?
N6 C64 C65 C66 1.2(5) . . . . ?
C64 C64 C65 C66 -178.0(3) 2 . . . ?
C64 C65 C66 C62 0.4(5) . . . . ?
C63 C62 C66 C65 -1.5(5) . . . . ?
C61 C62 C66 C65 175.6(3) . . . . ?
C72 C67 C68 C69 47.9(10) . . . . ?
C67 C68 C69 C70 -49.2(10) . . . . ?
C68 C69 C70 C71 53.0(10) . . . . ?
C69 C70 C71 C72 -56.9(9) . . . . ?
C70 C71 C72 C67 56.4(9) . . . . ?
C68 C67 C72 C71 -51.8(10) . . . . ?
