#------------------------------------------------------------------------------
#$Date: 2016-03-23 04:05:21 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179276 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/96/4319666.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_4319666
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         'C66 H81 I N5 O2 Rh'
_chemical_formula_sum            'C66 H81 I N5 O2 Rh'
_chemical_formula_weight         1206.17
_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                94.7580(18)
_cell_angle_beta                 109.8380(13)
_cell_angle_gamma                90.4860(18)
_cell_formula_units_Z            2
_cell_length_a                   12.3970(4)
_cell_length_b                   14.8480(3)
_cell_length_c                   17.2500(6)
_cell_measurement_reflns_used    13719
_cell_measurement_temperature    220(2)
_cell_measurement_theta_max      25.03
_cell_measurement_theta_min      2.91
_cell_volume                     2974.22(16)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection
; 
"Collect" data collection software, Nonius B.V., 1998. 
;
_computing_data_reduction
; 
"Collect" data collection software, Nonius B.V., 1998. 
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      220(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0284
_diffrn_reflns_av_sigmaI/netI    0.0590
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            16463
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         2.92
_exptl_absorpt_coefficient_mu    0.854
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.347
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1252
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.930
_refine_diff_density_min         -0.752
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     680
_refine_ls_number_reflns         10433
_refine_ls_number_restraints     34
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0557
_refine_ls_R_factor_gt           0.0397
_refine_ls_shift/su_max          0.676
_refine_ls_shift/su_mean         0.014
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0493P)²+2.6175P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0984
_refine_ls_wR_factor_ref         0.1113
_reflns_number_gt                8429
_reflns_number_total             10433
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic001038f_08.cif
_cod_data_source_block           js0017
_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_original_cell_volume        2974.22(15)
_cod_database_code               4319666
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 0.33458(2) 0.275286(16) 0.343214(15) 0.03285(10) Uani 1 1 d . . .
Rh1 Rh 0.38279(2) 0.389065(17) 0.249276(16) 0.02120(9) Uani 1 1 d . . .
O1 O 0.4066(4) 0.6487(3) -0.0673(3) 0.0824(13) Uani 1 1 d . . .
H100 H 0.4210 0.6877 -0.0946 0.124 Uiso 1 1 calc R . .
O2 O 0.5463(4) 0.7232(3) 0.0367(3) 0.0842(13) Uani 1 1 d . . .
N1 N 0.4464(2) 0.28385(18) 0.19586(18) 0.0248(7) Uani 1 1 d . . .
N2 N 0.5467(3) 0.41444(19) 0.33084(18) 0.0253(7) Uani 1 1 d . . .
N3 N 0.3209(2) 0.49559(18) 0.30190(18) 0.0237(7) Uani 1 1 d . . .
N4 N 0.2197(2) 0.36446(18) 0.16777(18) 0.0234(7) Uani 1 1 d . . .
N5 N 0.4147(3) 0.47764(19) 0.16895(19) 0.0266(7) Uani 1 1 d . . .
C1 C 0.2610(3) 0.2266(2) 0.0970(2) 0.0286(8) Uani 1 1 d . . .
H1 H 0.2261 0.1789 0.0565 0.034 Uiso 1 1 calc R . .
C2 C 0.3783(3) 0.2236(2) 0.1337(2) 0.0266(8) Uani 1 1 d . . .
C3 C 0.4475(3) 0.1555(2) 0.1119(2) 0.0282(8) Uani 1 1 d . . .
C4 C 0.5581(3) 0.1749(2) 0.1606(2) 0.0284(8) Uani 1 1 d . . .
C5 C 0.5574(3) 0.2557(2) 0.2155(2) 0.0247(8) Uani 1 1 d . . .
C6 C 0.6517(3) 0.2979(2) 0.2794(2) 0.0250(8) Uani 1 1 d . . .
C7 C 0.6465(3) 0.3719(2) 0.3331(2) 0.0259(8) Uani 1 1 d . . .
C8 C 0.7425(3) 0.4175(3) 0.4016(2) 0.0325(9) Uani 1 1 d . . .
C9 C 0.6985(3) 0.4850(2) 0.4376(2) 0.0289(9) Uani 1 1 d . . .
C10 C 0.5763(3) 0.4825(2) 0.3944(2) 0.0273(8) Uani 1 1 d . . .
C11 C 0.5018(3) 0.5427(2) 0.4123(2) 0.0284(8) Uani 1 1 d . . .
H11 H 0.5342 0.5838 0.4593 0.034 Uiso 1 1 calc R . .
C12 C 0.3868(3) 0.5505(2) 0.3705(2) 0.0248(8) Uani 1 1 d . . .
C13 C 0.3184(3) 0.6207(2) 0.3902(2) 0.0266(8) Uani 1 1 d . B .
C14 C 0.2109(3) 0.6090(2) 0.3337(2) 0.0278(8) Uani 1 1 d . . .
C15 C 0.2113(3) 0.5289(2) 0.2776(2) 0.0245(8) Uani 1 1 d . . .
C16 C 0.1189(3) 0.4905(2) 0.2102(2) 0.0239(8) Uani 1 1 d . . .
C17 C 0.1222(3) 0.4123(2) 0.1600(2) 0.0239(8) Uani 1 1 d . . .
C18 C 0.0251(3) 0.3656(2) 0.0940(2) 0.0279(8) Uani 1 1 d . . .
C19 C 0.0665(3) 0.2895(2) 0.0661(2) 0.0283(8) Uani 1 1 d . . .
C20 C 0.1877(3) 0.2899(2) 0.1114(2) 0.0268(8) Uani 1 1 d . . .
C21 C 0.6578(4) 0.1203(3) 0.1551(3) 0.0470(12) Uani 1 1 d . . .
H21A H 0.6309 0.0743 0.1088 0.070 Uiso 1 1 calc R . .
H21B H 0.6915 0.0917 0.2060 0.070 Uiso 1 1 calc R . .
H21C H 0.7150 0.1599 0.1471 0.070 Uiso 1 1 calc R . .
C22 C 0.8688(3) 0.3977(3) 0.4317(3) 0.0462(11) Uani 1 1 d . . .
H22A H 0.9098 0.4414 0.4775 0.069 Uiso 1 1 calc R . .
H22B H 0.8989 0.4017 0.3869 0.069 Uiso 1 1 calc R . .
H22C H 0.8787 0.3373 0.4499 0.069 Uiso 1 1 calc R . .
C23 C 0.1149(4) 0.6708(3) 0.3334(3) 0.0451(11) Uani 1 1 d . . .
H23A H 0.0580 0.6386 0.3489 0.068 Uiso 1 1 calc R . .
H23B H 0.0796 0.6903 0.2785 0.068 Uiso 1 1 calc R . .
H23C H 0.1454 0.7231 0.3727 0.068 Uiso 1 1 calc R . .
C24 C -0.0980(3) 0.3901(3) 0.0595(3) 0.0396(10) Uani 1 1 d . . .
H24A H -0.1406 0.3435 0.0172 0.059 Uiso 1 1 calc R . .
H24B H -0.1026 0.4474 0.0354 0.059 Uiso 1 1 calc R . .
H24C H -0.1303 0.3955 0.1035 0.059 Uiso 1 1 calc R . .
C25 C 0.3997(4) 0.0768(2) 0.0486(3) 0.0398(10) Uani 1 1 d D . .
H25A H 0.4610 0.0526 0.0300 0.048 Uiso 1 1 calc R . .
H25B H 0.3403 0.0979 0.0006 0.048 Uiso 1 1 calc R . .
C26 C 0.3481(4) 0.0011(3) 0.0816(3) 0.0598(14) Uani 1 1 d D . .
H26A H 0.2839 0.0248 0.0969 0.072 Uiso 1 1 calc R . .
H26B H 0.3171 -0.0473 0.0369 0.072 Uiso 1 1 calc R . .
C27 C 0.4305(5) -0.0387(3) 0.1549(4) 0.089(2) Uani 1 1 d D . .
H27A H 0.4707 0.0105 0.1963 0.107 Uiso 1 1 calc R . .
H27B H 0.4879 -0.0712 0.1373 0.107 Uiso 1 1 calc R . .
C28 C 0.3723(6) -0.1052(3) 0.1962(4) 0.0830(19) Uani 1 1 d D . .
H28A H 0.4275 -0.1177 0.2499 0.100 Uiso 1 1 calc R . .
H28B H 0.3071 -0.0760 0.2063 0.100 Uiso 1 1 calc R . .
C29 C 0.3314(5) -0.1922(3) 0.1442(4) 0.0702(16) Uani 1 1 d D . .
H29A H 0.3952 -0.2181 0.1295 0.084 Uiso 1 1 calc R . .
H29B H 0.2710 -0.1799 0.0927 0.084 Uiso 1 1 calc R . .
C30 C 0.2848(5) -0.2615(3) 0.1862(4) 0.0696(16) Uani 1 1 d D . .
H30A H 0.3463 -0.2793 0.2338 0.104 Uiso 1 1 calc R . .
H30B H 0.2536 -0.3142 0.1475 0.104 Uiso 1 1 calc R . .
H30C H 0.2248 -0.2352 0.2040 0.104 Uiso 1 1 calc R . .
C31 C 0.7634(3) 0.5526(3) 0.5085(2) 0.0372(10) Uani 1 1 d D . .
H31A H 0.8237 0.5217 0.5490 0.045 Uiso 1 1 calc R . .
H31B H 0.7107 0.5765 0.5359 0.045 Uiso 1 1 calc R . .
C32 C 0.8178(4) 0.6309(3) 0.4819(3) 0.0570(13) Uani 1 1 d D . .
H32A H 0.8656 0.6680 0.5316 0.068 Uiso 1 1 calc R . .
H32B H 0.8684 0.6065 0.4530 0.068 Uiso 1 1 calc R . .
C33 C 0.7354(5) 0.6902(3) 0.4272(4) 0.0683(16) Uani 1 1 d D . .
H33A H 0.6870 0.7167 0.4570 0.082 Uiso 1 1 calc R . .
H33B H 0.6854 0.6527 0.3786 0.082 Uiso 1 1 calc R . .
C34 C 0.7906(6) 0.7671(4) 0.3974(4) 0.098(2) Uani 1 1 d D . .
H34A H 0.8436 0.8038 0.4452 0.118 Uiso 1 1 calc R . .
H34B H 0.8344 0.7417 0.3636 0.118 Uiso 1 1 calc R . .
C35 C 0.6974(7) 0.8268(5) 0.3463(6) 0.137(4) Uani 1 1 d D . .
H35A H 0.6452 0.7890 0.2989 0.164 Uiso 1 1 calc R . .
H35B H 0.6527 0.8497 0.3804 0.164 Uiso 1 1 calc R . .
C36 C 0.7394(10) 0.9043(7) 0.3151(8) 0.200(6) Uani 1 1 d D . .
H36A H 0.8049 0.9338 0.3587 0.300 Uiso 1 1 calc R . .
H36B H 0.6789 0.9469 0.2977 0.300 Uiso 1 1 calc R . .
H36C H 0.7622 0.8832 0.2685 0.300 Uiso 1 1 calc R . .
C37 C 0.3627(4) 0.6970(2) 0.4583(3) 0.0380(10) Uani 1 1 d D . .
H37A H 0.4257 0.6758 0.5042 0.046 Uiso 1 1 calc R A 1
H37B H 0.3012 0.7152 0.4793 0.046 Uiso 1 1 calc R A 1
C38 C 0.4051(5) 0.7782(3) 0.4268(3) 0.0624(15) Uani 0.80 1 d PD B 1
H38A H 0.4732 0.7612 0.4131 0.075 Uiso 0.80 1 calc PR B 1
H38B H 0.3457 0.7920 0.3754 0.075 Uiso 0.80 1 calc PR B 1
C39 C 0.4350(5) 0.8628(4) 0.4854(4) 0.0697(19) Uiso 0.80 1 d PD B 1
H39A H 0.4732 0.9072 0.4634 0.084 Uiso 0.80 1 calc PR B 1
H39B H 0.4892 0.8484 0.5388 0.084 Uiso 0.80 1 calc PR B 1
C40 C 0.3297(8) 0.9046(6) 0.4988(6) 0.118(4) Uiso 0.80 1 d PD B 1
H40A H 0.3542 0.9457 0.5495 0.142 Uiso 0.80 1 calc PR B 1
H40B H 0.2797 0.8566 0.5056 0.142 Uiso 0.80 1 calc PR B 1
C41 C 0.2617(9) 0.9574(8) 0.4247(7) 0.150(5) Uiso 0.80 1 d PD B 1
H41A H 0.3105 1.0066 0.4186 0.180 Uiso 0.80 1 calc PR B 1
H41B H 0.2379 0.9168 0.3736 0.180 Uiso 0.80 1 calc PR B 1
C42 C 0.1567(12) 0.9959(12) 0.4398(11) 0.241(9) Uiso 0.80 1 d PD B 1
H42A H 0.1146 0.9483 0.4540 0.362 Uiso 0.80 1 calc PR B 1
H42B H 0.1077 1.0205 0.3900 0.362 Uiso 0.80 1 calc PR B 1
H42C H 0.1806 1.0434 0.4849 0.362 Uiso 0.80 1 calc PR B 1
C38' C 0.4051(5) 0.7782(3) 0.4268(3) 0.0624(15) Uani 0.20 1 d P B 2
H38C H 0.4806 0.7988 0.4662 0.075 Uiso 0.20 1 calc PR B 2
H38D H 0.4152 0.7587 0.3740 0.075 Uiso 0.20 1 calc PR B 2
C39' C 0.3275(16) 0.8564(7) 0.4142(12) 0.0697(19) Uiso 0.20 1 d PD B 2
H39C H 0.2485 0.8340 0.4024 0.084 Uiso 0.20 1 calc PR B 2
H39D H 0.3301 0.8860 0.3662 0.084 Uiso 0.20 1 calc PR B 2
C40' C 0.362(4) 0.9258(14) 0.4905(15) 0.118(4) Uiso 0.20 1 d PD B 2
H40C H 0.3120 0.9168 0.5230 0.142 Uiso 0.20 1 calc PR B 2
H40D H 0.4411 0.9171 0.5254 0.142 Uiso 0.20 1 calc PR B 2
C41' C 0.351(4) 1.0224(11) 0.464(3) 0.150(5) Uiso 0.20 1 d PD B 2
H41C H 0.3698 1.0657 0.5129 0.180 Uiso 0.20 1 calc PR B 2
H41D H 0.4064 1.0330 0.4359 0.180 Uiso 0.20 1 calc PR B 2
C42' C 0.231(5) 1.039(4) 0.406(4) 0.241(9) Uiso 0.20 1 d PD B 2
H42D H 0.2217 1.0113 0.3507 0.362 Uiso 0.20 1 calc PR B 2
H42E H 0.2206 1.1032 0.4041 0.362 Uiso 0.20 1 calc PR B 2
H42F H 0.1751 1.0118 0.4256 0.362 Uiso 0.20 1 calc PR B 2
C43 C -0.0003(3) 0.2156(3) 0.0024(3) 0.0353(9) Uani 1 1 d . . .
H43A H 0.0520 0.1839 -0.0213 0.042 Uiso 1 1 calc R . .
H43B H -0.0585 0.2428 -0.0424 0.042 Uiso 1 1 calc R . .
C44 C -0.0595(4) 0.1467(3) 0.0376(3) 0.0450(11) Uani 1 1 d . . .
H44A H -0.1086 0.1792 0.0636 0.054 Uiso 1 1 calc R . .
H44B H -0.1093 0.1059 -0.0085 0.054 Uiso 1 1 calc R . .
C45 C 0.0200(4) 0.0905(3) 0.0999(3) 0.0483(12) Uani 1 1 d . . .
H45A H 0.0684 0.1308 0.1470 0.058 Uiso 1 1 calc R . .
H45B H 0.0704 0.0587 0.0746 0.058 Uiso 1 1 calc R . .
C46 C -0.0423(5) 0.0217(3) 0.1313(3) 0.0561(13) Uani 1 1 d . . .
H46A H -0.0890 0.0538 0.1597 0.067 Uiso 1 1 calc R . .
H46B H -0.0944 -0.0160 0.0839 0.067 Uiso 1 1 calc R . .
C47 C 0.0358(6) -0.0384(4) 0.1893(4) 0.0800(18) Uani 1 1 d . . .
H47A H 0.0899 -0.0007 0.2358 0.096 Uiso 1 1 calc R . .
H47B H 0.0804 -0.0724 0.1603 0.096 Uiso 1 1 calc R . .
C48 C -0.0268(9) -0.1044(5) 0.2229(6) 0.128(3) Uani 1 1 d . . .
H48A H -0.0697 -0.0713 0.2529 0.192 Uiso 1 1 calc R . .
H48B H 0.0283 -0.1412 0.2598 0.192 Uiso 1 1 calc R . .
H48C H -0.0793 -0.1430 0.1774 0.192 Uiso 1 1 calc R . .
C49 C 0.7679(3) 0.2602(2) 0.2908(2) 0.0301(9) Uani 1 1 d . . .
C50 C 0.8084(4) 0.1932(3) 0.3437(3) 0.0439(11) Uani 1 1 d . . .
H50 H 0.7624 0.1694 0.3712 0.053 Uiso 1 1 calc R . .
C51 C 0.9176(4) 0.1616(3) 0.3559(3) 0.0572(14) Uani 1 1 d . . .
H51 H 0.9449 0.1160 0.3915 0.069 Uiso 1 1 calc R . .
C52 C 0.9862(4) 0.1961(3) 0.3164(3) 0.0560(13) Uani 1 1 d . . .
H52 H 1.0604 0.1749 0.3258 0.067 Uiso 1 1 calc R . .
C53 C 0.9459(4) 0.2614(3) 0.2633(3) 0.0496(12) Uani 1 1 d . . .
H53 H 0.9921 0.2849 0.2358 0.060 Uiso 1 1 calc R . .
C54 C 0.8365(4) 0.2927(3) 0.2502(3) 0.0370(10) Uani 1 1 d . . .
H54 H 0.8088 0.3369 0.2130 0.044 Uiso 1 1 calc R . .
C55 C 0.0075(3) 0.5359(2) 0.1923(2) 0.0286(8) Uani 1 1 d . . .
C56 C -0.0244(4) 0.5971(3) 0.1327(3) 0.0370(10) Uani 1 1 d . . .
H56 H 0.0242 0.6092 0.1029 0.044 Uiso 1 1 calc R . .
C57 C -0.1275(4) 0.6407(3) 0.1166(3) 0.0477(12) Uani 1 1 d . . .
H57 H -0.1482 0.6823 0.0763 0.057 Uiso 1 1 calc R . .
C58 C -0.1987(4) 0.6232(3) 0.1594(3) 0.0531(13) Uani 1 1 d . . .
H58 H -0.2681 0.6530 0.1487 0.064 Uiso 1 1 calc R . .
C59 C -0.1688(4) 0.5618(3) 0.2182(3) 0.0523(12) Uani 1 1 d . . .
H59 H -0.2186 0.5493 0.2470 0.063 Uiso 1 1 calc R . .
C60 C -0.0658(3) 0.5183(3) 0.2351(3) 0.0370(10) Uani 1 1 d . . .
H60 H -0.0457 0.4769 0.2756 0.044 Uiso 1 1 calc R . .
C61 C 0.3636(3) 0.4626(3) 0.0872(2) 0.0342(9) Uani 1 1 d . . .
H61 H 0.3161 0.4104 0.0655 0.041 Uiso 1 1 calc R . .
C62 C 0.3785(4) 0.5220(3) 0.0330(3) 0.0403(10) Uani 1 1 d . . .
H62 H 0.3406 0.5103 -0.0244 0.048 Uiso 1 1 calc R . .
C63 C 0.4487(4) 0.5973(3) 0.0641(3) 0.0391(10) Uani 1 1 d . . .
C64 C 0.5026(4) 0.6120(3) 0.1491(3) 0.0403(10) Uani 1 1 d . . .
H64 H 0.5520 0.6630 0.1721 0.048 Uiso 1 1 calc R . .
C65 C 0.4830(3) 0.5512(2) 0.1995(3) 0.0339(9) Uani 1 1 d . . .
H65 H 0.5189 0.5619 0.2571 0.041 Uiso 1 1 calc R . .
C66 C 0.4731(6) 0.6639(4) 0.0105(4) 0.0680(17) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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
N3 Rh1 N4 87.36(11) . . ?
N3 Rh1 N1 179.02(11) . . ?
N4 Rh1 N1 93.01(11) . . ?
N3 Rh1 N2 92.52(11) . . ?
N4 Rh1 N2 179.67(12) . . ?
N1 Rh1 N2 87.11(11) . . ?
N3 Rh1 N5 88.39(11) . . ?
N4 Rh1 N5 89.47(11) . . ?
N1 Rh1 N5 90.71(11) . . ?
N2 Rh1 N5 90.23(11) . . ?
N3 Rh1 I1 92.39(8) . . ?
N4 Rh1 I1 87.91(8) . . ?
N1 Rh1 I1 88.53(8) . . ?
N2 Rh1 I1 92.39(8) . . ?
N5 Rh1 I1 177.23(8) . . ?
C66 O1 H100 109.5 . . ?
C2 N1 C5 107.2(3) . . ?
C2 N1 Rh1 123.1(2) . . ?
C5 N1 Rh1 129.6(2) . . ?
C10 N2 C7 107.1(3) . . ?
C10 N2 Rh1 123.7(2) . . ?
C7 N2 Rh1 129.1(2) . . ?
C12 N3 C15 106.9(3) . . ?
C12 N3 Rh1 123.8(2) . . ?
C15 N3 Rh1 129.3(2) . . ?
C20 N4 C17 107.2(3) . . ?
C20 N4 Rh1 123.3(2) . . ?
C17 N4 Rh1 129.5(2) . . ?
C65 N5 C61 119.0(3) . . ?
C65 N5 Rh1 120.3(3) . . ?
C61 N5 Rh1 120.7(3) . . ?
C2 C1 C20 128.9(3) . . ?
C2 C1 H1 115.5 . . ?
C20 C1 H1 115.5 . . ?
N1 C2 C1 125.7(3) . . ?
N1 C2 C3 109.8(3) . . ?
C1 C2 C3 124.4(3) . . ?
C4 C3 C2 107.6(3) . . ?
C4 C3 C25 128.6(3) . . ?
C2 C3 C25 123.8(3) . . ?
C3 C4 C5 106.6(3) . . ?
C3 C4 C21 123.8(3) . . ?
C5 C4 C21 129.6(3) . . ?
N1 C5 C6 124.2(3) . . ?
N1 C5 C4 108.8(3) . . ?
C6 C5 C4 127.0(3) . . ?
C7 C6 C5 125.2(3) . . ?
C7 C6 C49 117.3(3) . . ?
C5 C6 C49 117.4(3) . . ?
N2 C7 C6 124.6(3) . . ?
N2 C7 C8 108.2(3) . . ?
C6 C7 C8 127.2(3) . . ?
C9 C8 C7 107.3(3) . . ?
C9 C8 C22 122.6(4) . . ?
C7 C8 C22 130.1(4) . . ?
C8 C9 C10 107.4(3) . . ?
C8 C9 C31 127.2(4) . . ?
C10 C9 C31 125.3(3) . . ?
N2 C10 C11 125.6(3) . . ?
N2 C10 C9 109.9(3) . . ?
C11 C10 C9 124.5(3) . . ?
C12 C11 C10 128.5(3) . . ?
C12 C11 H11 115.7 . . ?
C10 C11 H11 115.7 . . ?
C11 C12 N3 125.7(3) . . ?
C11 C12 C13 124.3(3) . . ?
N3 C12 C13 110.0(3) . . ?
C14 C13 C12 107.6(3) . . ?
C14 C13 C37 127.1(3) . . ?
C12 C13 C37 125.2(3) . . ?
C13 C14 C15 107.0(3) . . ?
C13 C14 C23 123.1(3) . . ?
C15 C14 C23 129.9(3) . . ?
N3 C15 C16 124.1(3) . . ?
N3 C15 C14 108.6(3) . . ?
C16 C15 C14 127.4(3) . . ?
C17 C16 C15 125.4(3) . . ?
C17 C16 C55 117.7(3) . . ?
C15 C16 C55 116.9(3) . . ?
N4 C17 C16 124.2(3) . . ?
N4 C17 C18 108.8(3) . . ?
C16 C17 C18 126.9(3) . . ?
C19 C18 C17 106.6(3) . . ?
C19 C18 C24 123.0(3) . . ?
C17 C18 C24 130.4(3) . . ?
C18 C19 C20 107.4(3) . . ?
C18 C19 C43 127.6(3) . . ?
C20 C19 C43 125.0(3) . . ?
N4 C20 C1 125.4(3) . . ?
N4 C20 C19 110.0(3) . . ?
C1 C20 C19 124.5(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 112.9(4) . . ?
C3 C25 H25A 109.0 . . ?
C26 C25 H25A 109.0 . . ?
C3 C25 H25B 109.0 . . ?
C26 C25 H25B 109.0 . . ?
H25A C25 H25B 107.8 . . ?
C27 C26 C25 114.8(4) . . ?
C27 C26 H26A 108.6 . . ?
C25 C26 H26A 108.6 . . ?
C27 C26 H26B 108.6 . . ?
C25 C26 H26B 108.6 . . ?
H26A C26 H26B 107.5 . . ?
C26 C27 C28 114.0(5) . . ?
C26 C27 H27A 108.8 . . ?
C28 C27 H27A 108.8 . . ?
C26 C27 H27B 108.8 . . ?
C28 C27 H27B 108.7 . . ?
H27A C27 H27B 107.6 . . ?
C29 C28 C27 112.5(5) . . ?
C29 C28 H28A 109.1 . . ?
C27 C28 H28A 109.1 . . ?
C29 C28 H28B 109.1 . . ?
C27 C28 H28B 109.1 . . ?
H28A C28 H28B 107.8 . . ?
C28 C29 C30 113.7(5) . . ?
C28 C29 H29A 108.8 . . ?
C30 C29 H29A 108.8 . . ?
C28 C29 H29B 108.8 . . ?
C30 C29 H29B 108.8 . . ?
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 113.2(4) . . ?
C9 C31 H31A 108.9 . . ?
C32 C31 H31A 108.9 . . ?
C9 C31 H31B 108.9 . . ?
C32 C31 H31B 108.9 . . ?
H31A C31 H31B 107.8 . . ?
C33 C32 C31 115.1(4) . . ?
C33 C32 H32A 108.5 . . ?
C31 C32 H32A 108.5 . . ?
C33 C32 H32B 108.5 . . ?
C31 C32 H32B 108.5 . . ?
H32A C32 H32B 107.5 . . ?
C32 C33 C34 115.0(4) . . ?
C32 C33 H33A 108.5 . . ?
C34 C33 H33A 108.5 . . ?
C32 C33 H33B 108.5 . . ?
C34 C33 H33B 108.5 . . ?
H33A C33 H33B 107.5 . . ?
C35 C34 C33 110.0(5) . . ?
C35 C34 H34A 109.7 . . ?
C33 C34 H34A 109.7 . . ?
C35 C34 H34B 109.7 . . ?
C33 C34 H34B 109.6 . . ?
H34A C34 H34B 108.2 . . ?
C36 C35 C34 115.4(7) . . ?
C36 C35 H35A 108.4 . . ?
C34 C35 H35A 108.4 . . ?
C36 C35 H35B 108.4 . . ?
C34 C35 H35B 108.4 . . ?
H35A C35 H35B 107.5 . . ?
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 111.1(4) . . ?
C13 C37 H37A 109.4 . . ?
C38 C37 H37A 109.4 . . ?
C13 C37 H37B 109.4 . . ?
C38 C37 H37B 109.4 . . ?
H37A C37 H37B 108.0 . . ?
C39 C38 C37 115.7(5) . . ?
C39 C38 H38A 108.4 . . ?
C37 C38 H38A 108.4 . . ?
C39 C38 H38B 108.4 . . ?
C37 C38 H38B 108.4 . . ?
H38A C38 H38B 107.4 . . ?
C38 C39 C40 112.6(6) . . ?
C38 C39 H39A 109.1 . . ?
C40 C39 H39A 109.1 . . ?
C38 C39 H39B 109.1 . . ?
C40 C39 H39B 109.0 . . ?
H39A C39 H39B 107.8 . . ?
C39 C40 C41 111.2(7) . . ?
C39 C40 H40A 109.4 . . ?
C41 C40 H40A 109.3 . . ?
C39 C40 H40B 109.4 . . ?
C41 C40 H40B 109.4 . . ?
H40A C40 H40B 108.0 . . ?
C42 C41 C40 109.4(8) . . ?
C42 C41 H41A 110.1 . . ?
C40 C41 H41A 109.9 . . ?
C42 C41 H41B 109.4 . . ?
C40 C41 H41B 109.8 . . ?
H41A C41 H41B 108.3 . . ?
C40' C39' H39C 109.0 . . ?
C40' C39' H39D 109.2 . . ?
H39C C39' H39D 107.9 . . ?
C41' C40' C39' 110.3(10) . . ?
C41' C40' H40C 110.0 . . ?
C39' C40' H40C 109.8 . . ?
C41' C40' H40D 109.3 . . ?
C39' C40' H40D 109.3 . . ?
H40C C40' H40D 108.1 . . ?
C42' C41' C40' 112.0(11) . . ?
C42' C41' H41C 108.6 . . ?
C40' C41' H41C 109.1 . . ?
C42' C41' H41D 109.5 . . ?
C40' C41' H41D 109.6 . . ?
H41C C41' H41D 107.9 . . ?
C41' C42' H42D 110.5 . . ?
C41' C42' H42E 111.2 . . ?
H42D C42' H42E 107.9 . . ?
C41' C42' H42F 111.6 . . ?
H42D C42' H42F 107.6 . . ?
H42E C42' H42F 107.8 . . ?
C19 C43 C44 113.2(4) . . ?
C19 C43 H43A 108.9 . . ?
C44 C43 H43A 108.9 . . ?
C19 C43 H43B 108.9 . . ?
C44 C43 H43B 108.9 . . ?
H43A C43 H43B 107.7 . . ?
C45 C44 C43 115.3(4) . . ?
C45 C44 H44A 108.4 . . ?
C43 C44 H44A 108.5 . . ?
C45 C44 H44B 108.5 . . ?
C43 C44 H44B 108.5 . . ?
H44A C44 H44B 107.5 . . ?
C44 C45 C46 113.5(4) . . ?
C44 C45 H45A 108.9 . . ?
C46 C45 H45A 108.9 . . ?
C44 C45 H45B 108.9 . . ?
C46 C45 H45B 108.9 . . ?
H45A C45 H45B 107.7 . . ?
C47 C46 C45 113.9(5) . . ?
C47 C46 H46A 108.8 . . ?
C45 C46 H46A 108.8 . . ?
C47 C46 H46B 108.8 . . ?
C45 C46 H46B 108.8 . . ?
H46A C46 H46B 107.7 . . ?
C46 C47 C48 113.5(6) . . ?
C46 C47 H47A 108.9 . . ?
C48 C47 H47A 108.9 . . ?
C46 C47 H47B 108.9 . . ?
C48 C47 H47B 108.9 . . ?
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 . . ?
C54 C49 C50 119.0(4) . . ?
C54 C49 C6 120.7(3) . . ?
C50 C49 C6 120.3(4) . . ?
C49 C50 C51 119.5(4) . . ?
C49 C50 H50 120.2 . . ?
C51 C50 H50 120.2 . . ?
C52 C51 C50 120.9(4) . . ?
C52 C51 H51 119.5 . . ?
C50 C51 H51 119.5 . . ?
C53 C52 C51 119.6(4) . . ?
C53 C52 H52 120.2 . . ?
C51 C52 H52 120.2 . . ?
C52 C53 C54 119.8(4) . . ?
C52 C53 H53 120.1 . . ?
C54 C53 H53 120.1 . . ?
C49 C54 C53 121.1(4) . . ?
C49 C54 H54 119.4 . . ?
C53 C54 H54 119.5 . . ?
C60 C55 C56 118.8(4) . . ?
C60 C55 C16 120.7(3) . . ?
C56 C55 C16 120.4(3) . . ?
C55 C56 C57 120.7(4) . . ?
C55 C56 H56 119.6 . . ?
C57 C56 H56 119.6 . . ?
C58 C57 C56 120.0(4) . . ?
C58 C57 H57 120.0 . . ?
C56 C57 H57 120.0 . . ?
C57 C58 C59 120.1(4) . . ?
C57 C58 H58 120.0 . . ?
C59 C58 H58 120.0 . . ?
C58 C59 C60 120.4(4) . . ?
C58 C59 H59 119.8 . . ?
C60 C59 H59 119.8 . . ?
C55 C60 C59 120.0(4) . . ?
C55 C60 H60 120.0 . . ?
C59 C60 H60 120.0 . . ?
N5 C61 C62 122.0(4) . . ?
N5 C61 H61 119.0 . . ?
C62 C61 H61 119.0 . . ?
C63 C62 C61 119.2(4) . . ?
C63 C62 H62 120.4 . . ?
C61 C62 H62 120.4 . . ?
C62 C63 C64 118.5(4) . . ?
C62 C63 C66 123.2(5) . . ?
C64 C63 C66 118.3(5) . . ?
C65 C64 C63 119.4(4) . . ?
C65 C64 H64 120.3 . . ?
C63 C64 H64 120.3 . . ?
N5 C65 C64 121.9(4) . . ?
N5 C65 H65 119.1 . . ?
C64 C65 H65 119.1 . . ?
O2 C66 O1 124.7(5) . . ?
O2 C66 C63 123.1(6) . . ?
O1 C66 C63 112.2(6) . . ?
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 2.6328(4) . ?
Rh1 N3 2.042(3) . ?
Rh1 N4 2.043(3) . ?
Rh1 N1 2.046(3) . ?
Rh1 N2 2.051(3) . ?
Rh1 N5 2.115(3) . ?
O1 C66 1.315(8) . ?
O1 H100 0.8300 . ?
O2 C66 1.202(7) . ?
N1 C2 1.370(5) . ?
N1 C5 1.378(4) . ?
N2 C10 1.376(5) . ?
N2 C7 1.384(5) . ?
N3 C12 1.380(5) . ?
N3 C15 1.387(4) . ?
N4 C20 1.371(4) . ?
N4 C17 1.380(4) . ?
N5 C65 1.331(5) . ?
N5 C61 1.334(5) . ?
C1 C2 1.378(5) . ?
C1 C20 1.379(5) . ?
C1 H1 0.9400 . ?
C2 C3 1.438(5) . ?
C3 C4 1.356(5) . ?
C3 C25 1.499(5) . ?
C4 C5 1.467(5) . ?
C4 C21 1.508(5) . ?
C5 C6 1.405(5) . ?
C6 C7 1.394(5) . ?
C6 C49 1.505(5) . ?
C7 C8 1.474(5) . ?
C8 C9 1.350(5) . ?
C8 C22 1.513(5) . ?
C9 C10 1.442(5) . ?
C9 C31 1.505(5) . ?
C10 C11 1.382(5) . ?
C11 C12 1.373(5) . ?
C11 H11 0.9400 . ?
C12 C13 1.441(5) . ?
C13 C14 1.357(5) . ?
C13 C37 1.515(5) . ?
C14 C15 1.471(5) . ?
C14 C23 1.508(5) . ?
C15 C16 1.401(5) . ?
C16 C17 1.399(5) . ?
C16 C55 1.489(5) . ?
C17 C18 1.467(5) . ?
C18 C19 1.363(5) . ?
C18 C24 1.498(5) . ?
C19 C20 1.439(5) . ?
C19 C43 1.505(5) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 H21C 0.9700 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C22 H22C 0.9700 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 H23C 0.9700 . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 H24C 0.9700 . ?
C25 C26 1.529(5) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C26 C27 1.499(6) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C27 C28 1.567(6) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C28 C29 1.490(6) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C29 C30 1.522(6) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C30 H30C 0.9700 . ?
C31 C32 1.518(5) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C32 C33 1.485(6) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C33 C34 1.535(6) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C34 C35 1.534(7) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C35 C36 1.471(7) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C36 H36C 0.9700 . ?
C37 C38 1.522(6) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C38 C39 1.505(6) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C39 C40 1.529(7) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C40 C41 1.550(9) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C41 C42 1.519(9) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C42 H42C 0.9700 . ?
C39' C40' 1.538(10) . ?
C39' H39C 0.9800 . ?
C39' H39D 0.9800 . ?
C40' C41' 1.536(10) . ?
C40' H40C 0.9800 . ?
C40' H40D 0.9800 . ?
C41' C42' 1.515(11) . ?
C41' H41C 0.9800 . ?
C41' H41D 0.9800 . ?
C42' H42D 0.9856 . ?
C42' H42E 0.9868 . ?
C42' H42F 0.9875 . ?
C43 C44 1.531(6) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C44 C45 1.506(6) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C45 C46 1.515(6) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C46 C47 1.496(7) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C47 C48 1.511(9) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C48 H48A 0.9700 . ?
C48 H48B 0.9700 . ?
C48 H48C 0.9700 . ?
C49 C54 1.380(6) . ?
C49 C50 1.386(6) . ?
C50 C51 1.389(6) . ?
C50 H50 0.9400 . ?
C51 C52 1.377(7) . ?
C51 H51 0.9400 . ?
C52 C53 1.368(7) . ?
C52 H52 0.9400 . ?
C53 C54 1.387(6) . ?
C53 H53 0.9400 . ?
C54 H54 0.9400 . ?
C55 C60 1.387(6) . ?
C55 C56 1.387(5) . ?
C56 C57 1.391(6) . ?
C56 H56 0.9400 . ?
C57 C58 1.364(7) . ?
C57 H57 0.9400 . ?
C58 C59 1.380(7) . ?
C58 H58 0.9400 . ?
C59 C60 1.388(6) . ?
C59 H59 0.9400 . ?
C60 H60 0.9400 . ?
C61 C62 1.391(6) . ?
C61 H61 0.9400 . ?
C62 C63 1.365(6) . ?
C62 H62 0.9400 . ?
C63 C64 1.387(6) . ?
C63 C66 1.503(6) . ?
C64 C65 1.379(6) . ?
C64 H64 0.9400 . ?
C65 H65 0.9400 . ?
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
N3 Rh1 N1 C2 -118(7) . . . . ?
N4 Rh1 N1 C2 -6.0(3) . . . . ?
N2 Rh1 N1 C2 174.3(3) . . . . ?
N5 Rh1 N1 C2 -95.5(3) . . . . ?
I1 Rh1 N1 C2 81.9(3) . . . . ?
N3 Rh1 N1 C5 66(7) . . . . ?
N4 Rh1 N1 C5 178.2(3) . . . . ?
N2 Rh1 N1 C5 -1.5(3) . . . . ?
N5 Rh1 N1 C5 88.7(3) . . . . ?
I1 Rh1 N1 C5 -94.0(3) . . . . ?
N3 Rh1 N2 C10 2.2(3) . . . . ?
N4 Rh1 N2 C10 71(23) . . . . ?
N1 Rh1 N2 C10 -178.7(3) . . . . ?
N5 Rh1 N2 C10 90.6(3) . . . . ?
I1 Rh1 N2 C10 -90.3(3) . . . . ?
N3 Rh1 N2 C7 -175.9(3) . . . . ?
N4 Rh1 N2 C7 -108(23) . . . . ?
N1 Rh1 N2 C7 3.2(3) . . . . ?
N5 Rh1 N2 C7 -87.5(3) . . . . ?
I1 Rh1 N2 C7 91.6(3) . . . . ?
N4 Rh1 N3 C12 177.8(3) . . . . ?
N1 Rh1 N3 C12 -70(7) . . . . ?
N2 Rh1 N3 C12 -2.5(3) . . . . ?
N5 Rh1 N3 C12 -92.6(3) . . . . ?
I1 Rh1 N3 C12 90.0(3) . . . . ?
N4 Rh1 N3 C15 -3.9(3) . . . . ?
N1 Rh1 N3 C15 108(7) . . . . ?
N2 Rh1 N3 C15 175.8(3) . . . . ?
N5 Rh1 N3 C15 85.6(3) . . . . ?
I1 Rh1 N3 C15 -91.7(3) . . . . ?
N3 Rh1 N4 C20 -173.3(3) . . . . ?
N1 Rh1 N4 C20 7.6(3) . . . . ?
N2 Rh1 N4 C20 118(23) . . . . ?
N5 Rh1 N4 C20 98.3(3) . . . . ?
I1 Rh1 N4 C20 -80.8(3) . . . . ?
N3 Rh1 N4 C17 3.1(3) . . . . ?
N1 Rh1 N4 C17 -176.0(3) . . . . ?
N2 Rh1 N4 C17 -65(23) . . . . ?
N5 Rh1 N4 C17 -85.4(3) . . . . ?
I1 Rh1 N4 C17 95.5(3) . . . . ?
N3 Rh1 N5 C65 58.1(3) . . . . ?
N4 Rh1 N5 C65 145.5(3) . . . . ?
N1 Rh1 N5 C65 -121.5(3) . . . . ?
N2 Rh1 N5 C65 -34.4(3) . . . . ?
I1 Rh1 N5 C65 164.5(15) . . . . ?
N3 Rh1 N5 C61 -119.4(3) . . . . ?
N4 Rh1 N5 C61 -32.0(3) . . . . ?
N1 Rh1 N5 C61 61.0(3) . . . . ?
N2 Rh1 N5 C61 148.1(3) . . . . ?
I1 Rh1 N5 C61 -13.0(18) . . . . ?
C5 N1 C2 C1 179.0(3) . . . . ?
Rh1 N1 C2 C1 2.3(5) . . . . ?
C5 N1 C2 C3 -0.8(4) . . . . ?
Rh1 N1 C2 C3 -177.4(2) . . . . ?
C20 C1 C2 N1 2.4(6) . . . . ?
C20 C1 C2 C3 -177.9(4) . . . . ?
N1 C2 C3 C4 -0.5(4) . . . . ?
C1 C2 C3 C4 179.7(4) . . . . ?
N1 C2 C3 C25 177.2(3) . . . . ?
C1 C2 C3 C25 -2.5(6) . . . . ?
C2 C3 C4 C5 1.5(4) . . . . ?
C25 C3 C4 C5 -176.1(4) . . . . ?
C2 C3 C4 C21 -178.4(4) . . . . ?
C25 C3 C4 C21 4.0(7) . . . . ?
C2 N1 C5 C6 -176.9(3) . . . . ?
Rh1 N1 C5 C6 -0.5(5) . . . . ?
C2 N1 C5 C4 1.7(4) . . . . ?
Rh1 N1 C5 C4 178.1(2) . . . . ?
C3 C4 C5 N1 -2.0(4) . . . . ?
C21 C4 C5 N1 177.9(4) . . . . ?
C3 C4 C5 C6 176.5(4) . . . . ?
C21 C4 C5 C6 -3.6(7) . . . . ?
N1 C5 C6 C7 1.8(6) . . . . ?
C4 C5 C6 C7 -176.4(4) . . . . ?
N1 C5 C6 C49 -178.1(3) . . . . ?
C4 C5 C6 C49 3.6(5) . . . . ?
C10 N2 C7 C6 178.6(3) . . . . ?
Rh1 N2 C7 C6 -3.1(5) . . . . ?
C10 N2 C7 C8 -0.6(4) . . . . ?
Rh1 N2 C7 C8 177.7(2) . . . . ?
C5 C6 C7 N2 0.0(6) . . . . ?
C49 C6 C7 N2 180.0(3) . . . . ?
C5 C6 C7 C8 179.1(4) . . . . ?
C49 C6 C7 C8 -1.0(6) . . . . ?
N2 C7 C8 C9 -0.2(4) . . . . ?
C6 C7 C8 C9 -179.4(4) . . . . ?
N2 C7 C8 C22 179.3(4) . . . . ?
C6 C7 C8 C22 0.1(7) . . . . ?
C7 C8 C9 C10 0.9(4) . . . . ?
C22 C8 C9 C10 -178.6(4) . . . . ?
C7 C8 C9 C31 -177.8(4) . . . . ?
C22 C8 C9 C31 2.7(7) . . . . ?
C7 N2 C10 C11 178.3(4) . . . . ?
Rh1 N2 C10 C11 -0.1(5) . . . . ?
C7 N2 C10 C9 1.2(4) . . . . ?
Rh1 N2 C10 C9 -177.2(2) . . . . ?
C8 C9 C10 N2 -1.3(4) . . . . ?
C31 C9 C10 N2 177.4(3) . . . . ?
C8 C9 C10 C11 -178.4(4) . . . . ?
C31 C9 C10 C11 0.3(6) . . . . ?
N2 C10 C11 C12 -2.8(6) . . . . ?
C9 C10 C11 C12 173.9(4) . . . . ?
C10 C11 C12 N3 2.4(6) . . . . ?
C10 C11 C12 C13 -174.6(4) . . . . ?
C15 N3 C12 C11 -177.8(3) . . . . ?
Rh1 N3 C12 C11 0.8(5) . . . . ?
C15 N3 C12 C13 -0.4(4) . . . . ?
Rh1 N3 C12 C13 178.2(2) . . . . ?
C11 C12 C13 C14 177.2(4) . . . . ?
N3 C12 C13 C14 -0.2(4) . . . . ?
C11 C12 C13 C37 1.3(6) . . . . ?
N3 C12 C13 C37 -176.2(3) . . . . ?
C12 C13 C14 C15 0.7(4) . . . . ?
C37 C13 C14 C15 176.5(4) . . . . ?
C12 C13 C14 C23 -179.0(4) . . . . ?
C37 C13 C14 C23 -3.1(6) . . . . ?
C12 N3 C15 C16 -179.4(3) . . . . ?
Rh1 N3 C15 C16 2.1(5) . . . . ?
C12 N3 C15 C14 0.8(4) . . . . ?
Rh1 N3 C15 C14 -177.7(2) . . . . ?
C13 C14 C15 N3 -0.9(4) . . . . ?
C23 C14 C15 N3 178.7(4) . . . . ?
C13 C14 C15 C16 179.3(4) . . . . ?
C23 C14 C15 C16 -1.1(7) . . . . ?
N3 C15 C16 C17 2.5(6) . . . . ?
C14 C15 C16 C17 -177.8(4) . . . . ?
N3 C15 C16 C55 -179.2(3) . . . . ?
C14 C15 C16 C55 0.6(5) . . . . ?
C20 N4 C17 C16 176.5(3) . . . . ?
Rh1 N4 C17 C16 -0.3(5) . . . . ?
C20 N4 C17 C18 -1.2(4) . . . . ?
Rh1 N4 C17 C18 -178.0(2) . . . . ?
C15 C16 C17 N4 -3.4(6) . . . . ?
C55 C16 C17 N4 178.3(3) . . . . ?
C15 C16 C17 C18 173.9(3) . . . . ?
C55 C16 C17 C18 -4.5(5) . . . . ?
N4 C17 C18 C19 2.0(4) . . . . ?
C16 C17 C18 C19 -175.6(4) . . . . ?
N4 C17 C18 C24 -178.2(4) . . . . ?
C16 C17 C18 C24 4.3(6) . . . . ?
C17 C18 C19 C20 -1.9(4) . . . . ?
C24 C18 C19 C20 178.2(4) . . . . ?
C17 C18 C19 C43 175.8(4) . . . . ?
C24 C18 C19 C43 -4.1(6) . . . . ?
C17 N4 C20 C1 177.0(3) . . . . ?
Rh1 N4 C20 C1 -5.9(5) . . . . ?
C17 N4 C20 C19 0.0(4) . . . . ?
Rh1 N4 C20 C19 177.0(2) . . . . ?
C2 C1 C20 N4 -0.4(6) . . . . ?
C2 C1 C20 C19 176.3(4) . . . . ?
C18 C19 C20 N4 1.3(4) . . . . ?
C43 C19 C20 N4 -176.5(3) . . . . ?
C18 C19 C20 C1 -175.8(4) . . . . ?
C43 C19 C20 C1 6.4(6) . . . . ?
C4 C3 C25 C26 98.6(5) . . . . ?
C2 C3 C25 C26 -78.6(5) . . . . ?
C3 C25 C26 C27 -59.6(6) . . . . ?
C25 C26 C27 C28 171.0(4) . . . . ?
C26 C27 C28 C29 71.2(7) . . . . ?
C27 C28 C29 C30 174.5(5) . . . . ?
C8 C9 C31 C32 81.4(5) . . . . ?
C10 C9 C31 C32 -97.1(5) . . . . ?
C9 C31 C32 C33 64.9(5) . . . . ?
C31 C32 C33 C34 -177.6(5) . . . . ?
C32 C33 C34 C35 -176.4(6) . . . . ?
C33 C34 C35 C36 179.0(9) . . . . ?
C14 C13 C37 C38 -86.2(5) . . . . ?
C12 C13 C37 C38 88.9(5) . . . . ?
C13 C37 C38 C39 171.4(4) . . . . ?
C37 C38 C39 C40 -68.2(7) . . . . ?
C38 C39 C40 C41 -77.9(10) . . . . ?
C39 C40 C41 C42 178.8(11) . . . . ?
C39' C40' C41' C42' 56(5) . . . . ?
C18 C19 C43 C44 -81.4(5) . . . . ?
C20 C19 C43 C44 95.9(5) . . . . ?
C19 C43 C44 C45 -66.0(5) . . . . ?
C43 C44 C45 C46 -178.5(4) . . . . ?
C44 C45 C46 C47 176.4(4) . . . . ?
C45 C46 C47 C48 177.8(5) . . . . ?
C7 C6 C49 C54 -89.5(5) . . . . ?
C5 C6 C49 C54 90.5(4) . . . . ?
C7 C6 C49 C50 89.3(4) . . . . ?
C5 C6 C49 C50 -90.7(5) . . . . ?
C54 C49 C50 C51 1.1(7) . . . . ?
C6 C49 C50 C51 -177.7(4) . . . . ?
C49 C50 C51 C52 0.3(8) . . . . ?
C50 C51 C52 C53 -1.1(8) . . . . ?
C51 C52 C53 C54 0.5(8) . . . . ?
C50 C49 C54 C53 -1.8(6) . . . . ?
C6 C49 C54 C53 177.0(4) . . . . ?
C52 C53 C54 C49 1.0(7) . . . . ?
C17 C16 C55 C60 95.7(4) . . . . ?
C15 C16 C55 C60 -82.8(4) . . . . ?
C17 C16 C55 C56 -84.7(4) . . . . ?
C15 C16 C55 C56 96.8(4) . . . . ?
C60 C55 C56 C57 0.6(6) . . . . ?
C16 C55 C56 C57 -179.0(4) . . . . ?
C55 C56 C57 C58 -0.3(7) . . . . ?
C56 C57 C58 C59 -0.4(7) . . . . ?
C57 C58 C59 C60 0.8(7) . . . . ?
C56 C55 C60 C59 -0.2(6) . . . . ?
C16 C55 C60 C59 179.4(4) . . . . ?
C58 C59 C60 C55 -0.5(7) . . . . ?
C65 N5 C61 C62 -0.7(6) . . . . ?
Rh1 N5 C61 C62 176.8(3) . . . . ?
N5 C61 C62 C63 0.9(6) . . . . ?
C61 C62 C63 C64 -0.2(6) . . . . ?
C61 C62 C63 C66 178.1(4) . . . . ?
C62 C63 C64 C65 -0.6(6) . . . . ?
C66 C63 C64 C65 -179.1(4) . . . . ?
C61 N5 C65 C64 -0.2(6) . . . . ?
Rh1 N5 C65 C64 -177.8(3) . . . . ?
C63 C64 C65 N5 0.9(6) . . . . ?
C62 C63 C66 O2 -169.6(5) . . . . ?
C64 C63 C66 O2 8.7(7) . . . . ?
C62 C63 C66 O1 9.5(7) . . . . ?
C64 C63 C66 O1 -172.1(4) . . . . ?
