#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:24:39 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179326 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/23/4322358.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_4322358
loop_
_publ_author_name
'Hee-Joon Kim'
'James E. Redman'
'Moshe Nakash'
'Neil Feeder'
'Simon J. Teat'
'Jeremy K. M. Sanders'
_publ_section_title
;
 Synthesis, Structure, and Modeling of a Cyclic Rhodium(III) Porphyrin
 Dimer with an Encapsulated 4,4'-Bipyridine Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5178
_journal_page_last               5183
_journal_paper_doi               10.1021/ic990593i
_journal_volume                  38
_journal_year                    1999
_chemical_formula_moiety         'C65 H81 I N5 Rh'
_chemical_formula_sum            'C65 H81 I N5 Rh'
_chemical_formula_weight         1162.16
_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                108.480(10)
_cell_angle_beta                 93.770(10)
_cell_angle_gamma                99.220(10)
_cell_formula_units_Z            2
_cell_length_a                   15.280(2)
_cell_length_b                   16.062(2)
_cell_length_c                   12.583(2)
_cell_measurement_temperature    180(2)
_cell_volume                     2868.6(7)
_computing_cell_refinement       'R-AXIS Process'
_computing_data_collection       'R-AXIS Control'
_computing_data_reduction        'R-AXIS Process'
_computing_publication_material  'SHELX-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.949
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_device_type  'Rigaku R-Axis IIc'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0451
_diffrn_reflns_av_sigmaI/netI    0.0861
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            17110
_diffrn_reflns_theta_full        25.16
_diffrn_reflns_theta_max         25.16
_diffrn_reflns_theta_min         1.36
_exptl_absorpt_coefficient_mu    0.880
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.345
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1208
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.527
_refine_diff_density_min         -1.059
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     685
_refine_ls_number_reflns         9758
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0606
_refine_ls_R_factor_gt           0.0410
_refine_ls_shift/su_max          1.663
_refine_ls_shift/su_mean         0.057
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0434P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0927
_refine_ls_wR_factor_ref         0.0984
_reflns_number_gt                7624
_reflns_number_total             9758
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic990593i_3.cif
_cod_data_source_block           js9824
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0434P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0434P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4322358
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
I1 I 0.789551(17) 0.116023(18) 0.11778(2) 0.02679(9) Uani 1 d . . .
Rh1 Rh 0.905771(18) 0.24522(2) 0.09082(2) 0.01741(9) Uani 1 d . . .
N1 N 1.0099(2) 0.2128(2) 0.1699(3) 0.0195(7) Uani 1 d . . .
N2 N 0.9252(2) 0.1644(2) -0.0649(3) 0.0203(7) Uani 1 d . . .
N3 N 0.8040(2) 0.2799(2) 0.0101(3) 0.0210(7) Uani 1 d . . .
N4 N 0.8838(2) 0.3228(2) 0.2473(3) 0.0210(7) Uani 1 d . . .
N5 N 0.9974(2) 0.3562(2) 0.0781(3) 0.0222(7) Uani 1 d . . .
C1 C 1.0620(2) 0.1545(3) 0.1150(3) 0.0183(8) Uani 1 d . . .
C2 C 1.0505(2) 0.1077(3) 0.0007(3) 0.0213(9) Uani 1 d . . .
H2 H 1.0904 0.0678 -0.0243 0.026 Uiso 1 calc R . .
C3 C 0.9884(2) 0.1113(3) -0.0821(3) 0.0198(8) Uani 1 d . . .
C4 C 0.9812(3) 0.0585(3) -0.2004(3) 0.0217(9) Uani 1 d . . .
C5 C 0.9115(3) 0.0772(3) -0.2544(3) 0.0230(9) Uani 1 d . . .
C6 C 0.8753(2) 0.1454(3) -0.1693(3) 0.0216(9) Uani 1 d . . .
C7 C 0.8050(2) 0.1872(3) -0.1870(3) 0.0214(9) Uani 1 d . . .
C8 C 0.7728(2) 0.2523(3) -0.1035(3) 0.0219(9) Uani 1 d . . .
C9 C 0.6991(2) 0.2980(3) -0.1188(3) 0.0242(9) Uani 1 d . . .
C10 C 0.6870(3) 0.3493(3) -0.0145(4) 0.0265(10) Uani 1 d . . .
C11 C 0.7510(2) 0.3364(3) 0.0658(3) 0.0224(9) Uani 1 d . . .
C12 C 0.7537(3) 0.3723(3) 0.1813(3) 0.0261(9) Uani 1 d . . .
H12 H 0.7099 0.4073 0.2070 0.031 Uiso 1 calc R . .
C13 C 0.8116(2) 0.3641(3) 0.2645(3) 0.0220(9) Uani 1 d . . .
C14 C 0.8053(3) 0.3992(3) 0.3833(3) 0.0253(9) Uani 1 d . . .
C15 C 0.8754(3) 0.3820(3) 0.4388(3) 0.0252(9) Uani 1 d . . .
C16 C 0.9252(2) 0.3315(3) 0.3523(3) 0.0207(9) Uani 1 d . . .
C17 C 1.0001(2) 0.2955(3) 0.3692(3) 0.0209(9) Uani 1 d . . .
C18 C 1.0419(2) 0.2425(3) 0.2833(3) 0.0208(9) Uani 1 d . . .
C19 C 1.1216(3) 0.2047(3) 0.2978(3) 0.0224(9) Uani 1 d . . .
C20 C 1.1323(2) 0.1497(3) 0.1945(3) 0.0213(9) Uani 1 d . . .
C21 C 0.8802(3) 0.0316(3) -0.3786(3) 0.0318(10) Uani 1 d . . .
H21A H 0.8846 0.0764 -0.4167 0.048 Uiso 1 calc R . .
H21B H 0.8180 0.0006 -0.3889 0.048 Uiso 1 calc R . .
H21C H 0.9178 -0.0118 -0.4109 0.048 Uiso 1 calc R . .
C22 C 0.6456(3) 0.2938(4) -0.2258(4) 0.0395(12) Uani 1 d . . .
H22A H 0.6087 0.2340 -0.2606 0.059 Uiso 1 calc R . .
H22B H 0.6863 0.3063 -0.2782 0.059 Uiso 1 calc R . .
H22C H 0.6071 0.3383 -0.2081 0.059 Uiso 1 calc R . .
C23 C 0.8955(3) 0.4137(3) 0.5659(3) 0.0351(11) Uani 1 d . . .
H23A H 0.9445 0.4658 0.5907 0.053 Uiso 1 calc R . .
H23B H 0.9130 0.3656 0.5898 0.053 Uiso 1 calc R . .
H23C H 0.8422 0.4303 0.5998 0.053 Uiso 1 calc R . .
C24 C 1.1859(3) 0.2243(3) 0.4021(3) 0.0338(11) Uani 1 d . . .
H24A H 1.1573 0.1972 0.4539 0.051 Uiso 1 calc R . .
H24B H 1.2031 0.2892 0.4394 0.051 Uiso 1 calc R . .
H24C H 1.2392 0.1994 0.3812 0.051 Uiso 1 calc R . .
C25 C 1.0435(3) -0.0033(3) -0.2513(3) 0.0265(9) Uani 1 d . . .
H25A H 1.0084 -0.0566 -0.3113 0.032 Uiso 1 calc R . .
H25B H 1.0695 -0.0239 -0.1922 0.032 Uiso 1 calc R . .
C26 C 1.1197(3) 0.0396(3) -0.3016(3) 0.0289(10) Uani 1 d . . .
H26A H 1.1564 -0.0055 -0.3343 0.035 Uiso 1 calc R . .
H26B H 1.0938 0.0569 -0.3638 0.035 Uiso 1 calc R . .
C27 C 1.1796(3) 0.1211(3) -0.2171(4) 0.0337(11) Uani 1 d . . .
H27A H 1.2070 0.1030 -0.1565 0.040 Uiso 1 calc R . .
H27B H 1.1421 0.1648 -0.1821 0.040 Uiso 1 calc R . .
C28 C 1.2541(3) 0.1678(4) -0.2650(4) 0.0440(13) Uani 1 d . . .
H28A H 1.2279 0.1822 -0.3296 0.053 Uiso 1 calc R . .
H28B H 1.2956 0.1266 -0.2935 0.053 Uiso 1 calc R . .
C29 C 1.3071(3) 0.2548(4) -0.1760(5) 0.0580(16) Uani 1 d . . .
H29A H 1.2646 0.2937 -0.1440 0.070 Uiso 1 calc R . .
H29B H 1.3358 0.2393 -0.1137 0.070 Uiso 1 calc R . .
C30 C 1.3780(4) 0.3068(5) -0.2201(6) 0.084(2) Uani 1 d . . .
H30A H 1.4086 0.3603 -0.1584 0.126 Uiso 1 calc R . .
H30B H 1.3502 0.3246 -0.2798 0.126 Uiso 1 calc R . .
H30C H 1.4212 0.2694 -0.2507 0.126 Uiso 1 calc R . .
C31 C 0.6198(3) 0.4086(3) 0.0217(4) 0.0318(10) Uani 1 d . . .
H31A H 0.5975 0.4250 -0.0432 0.038 Uiso 1 calc R . .
H31B H 0.6497 0.4645 0.0820 0.038 Uiso 1 calc R . .
C32 C 0.5397(3) 0.3636(3) 0.0656(4) 0.0324(10) Uani 1 d . . .
H32A H 0.5048 0.3125 0.0023 0.039 Uiso 1 calc R . .
H32B H 0.5623 0.3397 0.1233 0.039 Uiso 1 calc R . .
C33 C 0.4781(3) 0.4278(3) 0.1171(4) 0.0359(11) Uani 1 d . . .
H33A H 0.5131 0.4789 0.1801 0.043 Uiso 1 calc R . .
H33B H 0.4554 0.4515 0.0593 0.043 Uiso 1 calc R . .
C34 C 0.3995(3) 0.3844(3) 0.1606(4) 0.0342(11) Uani 1 d . . .
H34A H 0.4225 0.3620 0.2197 0.041 Uiso 1 calc R . .
H34B H 0.3659 0.3321 0.0979 0.041 Uiso 1 calc R . .
C35 C 0.3356(3) 0.4457(3) 0.2095(4) 0.0390(12) Uani 1 d . . .
H35A H 0.3111 0.4672 0.1504 0.047 Uiso 1 calc R . .
H35B H 0.3688 0.4984 0.2719 0.047 Uiso 1 calc R . .
C36 C 0.2589(3) 0.3992(4) 0.2536(4) 0.0474(14) Uani 1 d . . .
H36A H 0.2170 0.4395 0.2788 0.071 Uiso 1 calc R . .
H36B H 0.2823 0.3830 0.3172 0.071 Uiso 1 calc R . .
H36C H 0.2279 0.3450 0.1933 0.071 Uiso 1 calc R . .
C37 C 0.7277(3) 0.4407(3) 0.4308(4) 0.0346(11) Uani 1 d . . .
H37A H 0.7078 0.4753 0.3843 0.042 Uiso 1 calc R . .
H37B H 0.7473 0.4824 0.5088 0.042 Uiso 1 calc R . .
C38 C 0.6490(3) 0.3669(4) 0.4314(6) 0.0651(19) Uani 1 d . . .
H38A H 0.6377 0.3199 0.3562 0.078 Uiso 1 calc R A 1
H38B H 0.6670 0.3392 0.4873 0.078 Uiso 1 calc R A 1
C39 C 0.5638(4) 0.3991(5) 0.4589(6) 0.0701(19) Uani 0.55 d PD B 1
H39A H 0.5511 0.4361 0.4120 0.084 Uiso 0.55 calc PR B 1
H39B H 0.5717 0.4378 0.5390 0.084 Uiso 0.55 calc PR B 1
C40 C 0.4827(7) 0.3225(9) 0.4387(11) 0.068(4) Uani 0.55 d PD B 1
H40A H 0.4277 0.3477 0.4514 0.082 Uiso 0.55 calc PR B 1
H40B H 0.4756 0.2822 0.3594 0.082 Uiso 0.55 calc PR B 1
C41 C 0.4949(8) 0.2706(12) 0.5162(13) 0.080(4) Uani 0.55 d P B 1
H41A H 0.5018 0.3112 0.5953 0.096 Uiso 0.55 calc PR B 1
H41B H 0.5503 0.2461 0.5038 0.096 Uiso 0.55 calc PR B 1
C42 C 0.4187(19) 0.197(2) 0.498(3) 0.149(12) Uani 0.55 d P B 1
H42A H 0.3645 0.2210 0.5155 0.223 Uiso 0.55 calc PR B 1
H42B H 0.4304 0.1623 0.5477 0.223 Uiso 0.55 calc PR B 1
H42C H 0.4104 0.1575 0.4192 0.223 Uiso 0.55 calc PR B 1
C39' C 0.5638(4) 0.3991(5) 0.4589(6) 0.0701(19) Uani 0.45 d P B 2
H39C H 0.5305 0.3990 0.3886 0.084 Uiso 0.45 calc PR B 2
H39D H 0.5784 0.4616 0.5112 0.084 Uiso 0.45 calc PR B 2
C40' C 0.5035(9) 0.3422(9) 0.5128(13) 0.059(4) Uani 0.45 d PD B 2
H40C H 0.4530 0.3713 0.5398 0.071 Uiso 0.45 calc PR B 2
H40D H 0.5379 0.3355 0.5781 0.071 Uiso 0.45 calc PR B 2
C41' C 0.4689(11) 0.2514(10) 0.4241(12) 0.070(5) Uani 0.45 d PD B 2
H41C H 0.4254 0.2576 0.3666 0.084 Uiso 0.45 calc PR B 2
H41D H 0.5192 0.2289 0.3860 0.084 Uiso 0.45 calc PR B 2
C42' C 0.4211(11) 0.1796(18) 0.479(3) 0.061(7) Uani 0.45 d P B 2
H42D H 0.4055 0.1203 0.4209 0.092 Uiso 0.45 calc PR B 2
H42E H 0.3668 0.1978 0.5082 0.092 Uiso 0.45 calc PR B 2
H42F H 0.4623 0.1774 0.5407 0.092 Uiso 0.45 calc PR B 2
C43 C 1.2028(2) 0.0942(3) 0.1659(3) 0.0249(9) Uani 1 d . . .
H43A H 1.1761 0.0372 0.1056 0.030 Uiso 1 calc R . .
H43B H 1.2226 0.0796 0.2333 0.030 Uiso 1 calc R . .
C44 C 1.2851(3) 0.1388(3) 0.1267(4) 0.0361(11) Uani 1 d . . .
H44A H 1.3041 0.2013 0.1778 0.043 Uiso 1 calc R . .
H44B H 1.2689 0.1400 0.0498 0.043 Uiso 1 calc R . .
C45 C 1.3633(3) 0.0888(4) 0.1258(5) 0.0453(13) Uani 1 d . . .
H45A H 1.3857 0.0972 0.2048 0.054 Uiso 1 calc R . .
H45B H 1.3402 0.0241 0.0873 0.054 Uiso 1 calc R . .
C46 C 1.4415(3) 0.1180(4) 0.0683(6) 0.0624(18) Uani 1 d . . .
H46A H 1.4947 0.0976 0.0929 0.075 Uiso 1 calc R . .
H46B H 1.4554 0.1841 0.0930 0.075 Uiso 1 calc R . .
C47 C 1.4230(4) 0.0809(5) -0.0612(6) 0.080(2) Uani 1 d . . .
H47A H 1.3730 0.1056 -0.0859 0.095 Uiso 1 calc R . .
H47B H 1.4036 0.0151 -0.0852 0.095 Uiso 1 calc R . .
C48 C 1.5040(5) 0.1027(5) -0.1212(7) 0.098(3) Uani 1 d . . .
H48A H 1.4958 0.0606 -0.1986 0.148 Uiso 1 calc R . .
H48B H 1.5585 0.0974 -0.0802 0.148 Uiso 1 calc R . .
H48C H 1.5093 0.1638 -0.1230 0.148 Uiso 1 calc R . .
C49 C 0.7586(3) 0.1590(3) -0.3053(3) 0.0276(9) Uani 1 d . . .
C50 C 0.6850(3) 0.0901(3) -0.3429(4) 0.0409(12) Uani 1 d . . .
H50 H 0.6622 0.0606 -0.2932 0.049 Uiso 1 calc R . .
C51 C 0.6440(4) 0.0639(4) -0.4545(5) 0.0617(17) Uani 1 d . . .
H51 H 0.5928 0.0172 -0.4796 0.074 Uiso 1 calc R . .
C52 C 0.6775(4) 0.1054(5) -0.5280(5) 0.0673(18) Uani 1 d . . .
H52 H 0.6501 0.0866 -0.6039 0.081 Uiso 1 calc R . .
C53 C 0.7508(4) 0.1745(4) -0.4909(4) 0.0566(16) Uani 1 d . . .
H53 H 0.7738 0.2034 -0.5412 0.068 Uiso 1 calc R . .
C54 C 0.7907(3) 0.2014(4) -0.3807(4) 0.0388(12) Uani 1 d . . .
H54 H 0.8406 0.2495 -0.3555 0.047 Uiso 1 calc R . .
C55 C 1.0336(3) 0.3052(3) 0.4874(3) 0.0216(9) Uani 1 d . . .
C56 C 1.0927(3) 0.3810(3) 0.5566(3) 0.0308(10) Uani 1 d . . .
H56 H 1.1118 0.4285 0.5288 0.037 Uiso 1 calc R . .
C57 C 1.1243(3) 0.3881(3) 0.6663(4) 0.0378(11) Uani 1 d . . .
H57 H 1.1655 0.4398 0.7126 0.045 Uiso 1 calc R . .
C58 C 1.0952(3) 0.3194(4) 0.7068(4) 0.0412(12) Uani 1 d . . .
H58 H 1.1161 0.3240 0.7816 0.049 Uiso 1 calc R . .
C59 C 1.0362(3) 0.2444(3) 0.6397(4) 0.0351(11) Uani 1 d . . .
H59 H 1.0159 0.1975 0.6682 0.042 Uiso 1 calc R . .
C60 C 1.0061(3) 0.2371(3) 0.5297(3) 0.0268(10) Uani 1 d . . .
H60 H 0.9660 0.1847 0.4832 0.032 Uiso 1 calc R . .
C61 C 1.0684(3) 0.3446(3) 0.0239(3) 0.0293(10) Uani 1 d . . .
H61 H 1.0758 0.2855 -0.0152 0.035 Uiso 1 calc R . .
C62 C 1.1320(3) 0.4158(3) 0.0224(4) 0.0354(11) Uani 1 d . . .
H62 H 1.1821 0.4053 -0.0173 0.042 Uiso 1 calc R . .
C63 C 1.1227(3) 0.5016(3) 0.0783(4) 0.0352(11) Uani 1 d . . .
H63 H 1.1660 0.5513 0.0789 0.042 Uiso 1 calc R . .
C64 C 1.0473(3) 0.5136(3) 0.1342(4) 0.0332(11) Uani 1 d . . .
H64 H 1.0377 0.5721 0.1728 0.040 Uiso 1 calc R . .
C65 C 0.9874(3) 0.4397(3) 0.1326(3) 0.0268(10) Uani 1 d . . .
H65 H 0.9366 0.4482 0.1717 0.032 Uiso 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
N1 Rh1 N3 178.44(11) . . ?
N1 Rh1 N2 92.40(13) . . ?
N3 Rh1 N2 87.22(13) . . ?
N1 Rh1 N4 87.54(13) . . ?
N3 Rh1 N4 92.88(13) . . ?
N2 Rh1 N4 178.27(11) . . ?
N1 Rh1 N5 88.19(12) . . ?
N3 Rh1 N5 90.32(12) . . ?
N2 Rh1 N5 91.99(12) . . ?
N4 Rh1 N5 89.74(12) . . ?
N1 Rh1 I1 92.48(8) . . ?
N3 Rh1 I1 89.04(8) . . ?
N2 Rh1 I1 91.65(8) . . ?
N4 Rh1 I1 86.62(8) . . ?
N5 Rh1 I1 176.27(9) . . ?
C1 N1 C18 107.0(3) . . ?
C1 N1 Rh1 124.1(3) . . ?
C18 N1 Rh1 129.0(3) . . ?
C3 N2 C6 106.8(3) . . ?
C3 N2 Rh1 123.9(3) . . ?
C6 N2 Rh1 129.0(3) . . ?
C11 N3 C8 106.9(3) . . ?
C11 N3 Rh1 123.2(3) . . ?
C8 N3 Rh1 129.8(3) . . ?
C13 N4 C16 107.3(3) . . ?
C13 N4 Rh1 122.9(3) . . ?
C16 N4 Rh1 129.0(3) . . ?
C61 N5 C65 118.5(4) . . ?
C61 N5 Rh1 121.4(3) . . ?
C65 N5 Rh1 119.9(3) . . ?
N1 C1 C2 125.6(4) . . ?
N1 C1 C20 110.2(3) . . ?
C2 C1 C20 124.2(4) . . ?
C1 C2 C3 128.3(4) . . ?
C1 C2 H2 115.8 . . ?
C3 C2 H2 115.8 . . ?
N2 C3 C2 125.6(4) . . ?
N2 C3 C4 110.3(3) . . ?
C2 C3 C4 124.1(4) . . ?
C5 C4 C3 107.3(3) . . ?
C5 C4 C25 127.7(4) . . ?
C3 C4 C25 124.9(4) . . ?
C4 C5 C6 107.2(3) . . ?
C4 C5 C21 123.0(4) . . ?
C6 C5 C21 129.8(4) . . ?
N2 C6 C7 124.1(4) . . ?
N2 C6 C5 108.3(3) . . ?
C7 C6 C5 127.6(4) . . ?
C6 C7 C8 125.8(4) . . ?
C6 C7 C49 117.1(4) . . ?
C8 C7 C49 117.1(4) . . ?
N3 C8 C7 123.7(4) . . ?
N3 C8 C9 108.8(3) . . ?
C7 C8 C9 127.4(4) . . ?
C10 C9 C8 106.6(4) . . ?
C10 C9 C22 123.8(4) . . ?
C8 C9 C22 129.6(4) . . ?
C9 C10 C11 107.5(4) . . ?
C9 C10 C31 130.2(4) . . ?
C11 C10 C31 122.3(4) . . ?
N3 C11 C12 125.9(4) . . ?
N3 C11 C10 110.0(3) . . ?
C12 C11 C10 124.0(4) . . ?
C13 C12 C11 128.5(4) . . ?
C13 C12 H12 115.8 . . ?
C11 C12 H12 115.7 . . ?
N4 C13 C12 125.7(4) . . ?
N4 C13 C14 109.9(4) . . ?
C12 C13 C14 124.4(4) . . ?
C15 C14 C13 107.6(4) . . ?
C15 C14 C37 128.9(4) . . ?
C13 C14 C37 123.4(4) . . ?
C14 C15 C16 106.9(3) . . ?
C14 C15 C23 123.6(4) . . ?
C16 C15 C23 129.5(4) . . ?
N4 C16 C17 124.1(4) . . ?
N4 C16 C15 108.3(4) . . ?
C17 C16 C15 127.6(4) . . ?
C16 C17 C18 125.5(4) . . ?
C16 C17 C55 117.9(3) . . ?
C18 C17 C55 116.2(4) . . ?
N1 C18 C17 124.2(4) . . ?
N1 C18 C19 108.6(3) . . ?
C17 C18 C19 127.0(4) . . ?
C20 C19 C18 107.2(3) . . ?
C20 C19 C24 123.4(4) . . ?
C18 C19 C24 129.2(4) . . ?
C19 C20 C1 106.9(3) . . ?
C19 C20 C43 127.5(4) . . ?
C1 C20 C43 125.7(3) . . ?
C5 C21 H21A 109.4 . . ?
C5 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C5 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C9 C22 H22A 109.5 . . ?
C9 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C9 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C15 C23 H23A 109.5 . . ?
C15 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C15 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C19 C24 H24A 109.5 . . ?
C19 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C19 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C4 C25 C26 113.9(3) . . ?
C4 C25 H25A 108.8 . . ?
C26 C25 H25A 108.8 . . ?
C4 C25 H25B 108.8 . . ?
C26 C25 H25B 108.8 . . ?
H25A C25 H25B 107.7 . . ?
C27 C26 C25 113.9(3) . . ?
C27 C26 H26A 108.8 . . ?
C25 C26 H26A 108.8 . . ?
C27 C26 H26B 108.8 . . ?
C25 C26 H26B 108.8 . . ?
H26A C26 H26B 107.7 . . ?
C26 C27 C28 115.4(4) . . ?
C26 C27 H27A 108.4 . . ?
C28 C27 H27A 108.4 . . ?
C26 C27 H27B 108.4 . . ?
C28 C27 H27B 108.5 . . ?
H27A C27 H27B 107.5 . . ?
C27 C28 C29 112.2(4) . . ?
C27 C28 H28A 109.1 . . ?
C29 C28 H28A 109.1 . . ?
C27 C28 H28B 109.2 . . ?
C29 C28 H28B 109.2 . . ?
H28A C28 H28B 107.9 . . ?
C30 C29 C28 114.7(5) . . ?
C30 C29 H29A 108.6 . . ?
C28 C29 H29A 108.6 . . ?
C30 C29 H29B 108.6 . . ?
C28 C29 H29B 108.6 . . ?
H29A C29 H29B 107.6 . . ?
C29 C30 H30A 109.4 . . ?
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 . . ?
C10 C31 C32 112.7(4) . . ?
C10 C31 H31A 109.1 . . ?
C32 C31 H31A 109.1 . . ?
C10 C31 H31B 109.1 . . ?
C32 C31 H31B 109.1 . . ?
H31A C31 H31B 107.8 . . ?
C33 C32 C31 112.7(4) . . ?
C33 C32 H32A 109.1 . . ?
C31 C32 H32A 109.0 . . ?
C33 C32 H32B 109.0 . . ?
C31 C32 H32B 109.1 . . ?
H32A C32 H32B 107.8 . . ?
C34 C33 C32 113.1(4) . . ?
C34 C33 H33A 109.0 . . ?
C32 C33 H33A 109.0 . . ?
C34 C33 H33B 108.9 . . ?
C32 C33 H33B 108.9 . . ?
H33A C33 H33B 107.8 . . ?
C33 C34 C35 114.5(4) . . ?
C33 C34 H34A 108.6 . . ?
C35 C34 H34A 108.6 . . ?
C33 C34 H34B 108.7 . . ?
C35 C34 H34B 108.6 . . ?
H34A C34 H34B 107.6 . . ?
C34 C35 C36 112.3(4) . . ?
C34 C35 H35A 109.1 . . ?
C36 C35 H35A 109.1 . . ?
C34 C35 H35B 109.2 . . ?
C36 C35 H35B 109.2 . . ?
H35A C35 H35B 107.9 . . ?
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 . . ?
C14 C37 C38 110.2(4) . . ?
C14 C37 H37A 109.6 . . ?
C38 C37 H37A 109.6 . . ?
C14 C37 H37B 109.6 . . ?
C38 C37 H37B 109.6 . . ?
H37A C37 H37B 108.1 . . ?
C39 C38 C37 114.5(5) . . ?
C39 C38 H38A 108.5 . . ?
C37 C38 H38A 108.7 . . ?
C39 C38 H38B 108.6 . . ?
C37 C38 H38B 108.7 . . ?
H38A C38 H38B 107.6 . . ?
C38 C39 C40 113.4(7) . . ?
C38 C39 H39A 108.9 . . ?
C40 C39 H39A 109.2 . . ?
C38 C39 H39B 108.8 . . ?
C40 C39 H39B 108.6 . . ?
H39A C39 H39B 107.8 . . ?
C41 C40 C39 110.7(10) . . ?
C41 C40 H40A 109.5 . . ?
C39 C40 H40A 109.9 . . ?
C41 C40 H40B 108.9 . . ?
C39 C40 H40B 109.4 . . ?
H40A C40 H40B 108.2 . . ?
C40 C41 C42 111.8(17) . . ?
C40 C41 H41A 108.5 . . ?
C42 C41 H41A 109.7 . . ?
C40 C41 H41B 109.1 . . ?
C42 C41 H41B 109.7 . . ?
H41A C41 H41B 108.0 . . ?
C41' C40' H40C 109.5 . . ?
C41' C40' H40D 111.1 . . ?
H40C C40' H40D 108.3 . . ?
C42' C41' C40' 111.7(16) . . ?
C42' C41' H41C 109.5 . . ?
C40' C41' H41C 110.1 . . ?
C42' C41' H41D 108.7 . . ?
C40' C41' H41D 108.9 . . ?
H41C C41' H41D 107.8 . . ?
C41' C42' H42D 109.4 . . ?
C41' C42' H42E 109.1 . . ?
H42D C42' H42E 109.5 . . ?
C41' C42' H42F 109.9 . . ?
H42D C42' H42F 109.5 . . ?
H42E C42' H42F 109.5 . . ?
C20 C43 C44 114.6(4) . . ?
C20 C43 H43A 108.6 . . ?
C44 C43 H43A 108.6 . . ?
C20 C43 H43B 108.6 . . ?
C44 C43 H43B 108.6 . . ?
H43A C43 H43B 107.6 . . ?
C43 C44 C45 111.7(4) . . ?
C43 C44 H44A 109.3 . . ?
C45 C44 H44A 109.3 . . ?
C43 C44 H44B 109.3 . . ?
C45 C44 H44B 109.3 . . ?
H44A C44 H44B 107.9 . . ?
C46 C45 C44 115.3(5) . . ?
C46 C45 H45A 108.4 . . ?
C44 C45 H45A 108.4 . . ?
C46 C45 H45B 108.5 . . ?
C44 C45 H45B 108.5 . . ?
H45A C45 H45B 107.5 . . ?
C45 C46 C47 113.0(5) . . ?
C45 C46 H46A 109.0 . . ?
C47 C46 H46A 109.0 . . ?
C45 C46 H46B 109.0 . . ?
C47 C46 H46B 109.0 . . ?
H46A C46 H46B 107.8 . . ?
C46 C47 C48 114.0(6) . . ?
C46 C47 H47A 108.8 . . ?
C48 C47 H47A 108.8 . . ?
C46 C47 H47B 108.8 . . ?
C48 C47 H47B 108.8 . . ?
H47A C47 H47B 107.6 . . ?
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(4) . . ?
C50 C49 C7 121.1(4) . . ?
C54 C49 C7 120.1(4) . . ?
C49 C50 C51 120.0(5) . . ?
C49 C50 H50 120.0 . . ?
C51 C50 H50 120.0 . . ?
C52 C51 C50 120.4(5) . . ?
C52 C51 H51 119.8 . . ?
C50 C51 H51 119.8 . . ?
C51 C52 C53 119.8(5) . . ?
C51 C52 H52 120.1 . . ?
C53 C52 H52 120.1 . . ?
C54 C53 C52 120.0(5) . . ?
C54 C53 H53 120.0 . . ?
C52 C53 H53 120.0 . . ?
C53 C54 C49 121.0(5) . . ?
C53 C54 H54 119.5 . . ?
C49 C54 H54 119.5 . . ?
C60 C55 C56 118.7(4) . . ?
C60 C55 C17 119.6(4) . . ?
C56 C55 C17 121.7(3) . . ?
C55 C56 C57 120.8(4) . . ?
C55 C56 H56 119.6 . . ?
C57 C56 H56 119.6 . . ?
C58 C57 C56 119.3(4) . . ?
C58 C57 H57 120.3 . . ?
C56 C57 H57 120.3 . . ?
C59 C58 C57 120.5(4) . . ?
C59 C58 H58 119.8 . . ?
C57 C58 H58 119.8 . . ?
C58 C59 C60 119.8(4) . . ?
C58 C59 H59 120.1 . . ?
C60 C59 H59 120.1 . . ?
C55 C60 C59 120.9(4) . . ?
C55 C60 H60 119.6 . . ?
C59 C60 H60 119.6 . . ?
N5 C61 C62 122.2(4) . . ?
N5 C61 H61 118.9 . . ?
C62 C61 H61 118.9 . . ?
C63 C62 C61 119.9(4) . . ?
C63 C62 H62 120.1 . . ?
C61 C62 H62 120.1 . . ?
C62 C63 C64 117.9(4) . . ?
C62 C63 H63 121.1 . . ?
C64 C63 H63 121.1 . . ?
C65 C64 C63 118.9(4) . . ?
C65 C64 H64 120.5 . . ?
C63 C64 H64 120.5 . . ?
N5 C65 C64 122.6(4) . . ?
N5 C65 H65 118.7 . . ?
C64 C65 H65 118.7 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
I1 Rh1 2.6305(5) . ?
Rh1 N1 2.044(3) . ?
Rh1 N3 2.047(3) . ?
Rh1 N2 2.050(3) . ?
Rh1 N4 2.051(3) . ?
Rh1 N5 2.139(3) . ?
N1 C1 1.374(5) . ?
N1 C18 1.380(5) . ?
N2 C3 1.372(5) . ?
N2 C6 1.393(5) . ?
N3 C11 1.370(5) . ?
N3 C8 1.381(5) . ?
N4 C13 1.370(5) . ?
N4 C16 1.382(5) . ?
N5 C61 1.326(5) . ?
N5 C65 1.338(5) . ?
C1 C2 1.380(5) . ?
C1 C20 1.448(5) . ?
C2 C3 1.384(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.448(5) . ?
C4 C5 1.351(6) . ?
C4 C25 1.510(6) . ?
C5 C6 1.477(6) . ?
C5 C21 1.507(5) . ?
C6 C7 1.396(6) . ?
C7 C8 1.405(6) . ?
C7 C49 1.502(5) . ?
C8 C9 1.473(6) . ?
C9 C10 1.354(6) . ?
C9 C22 1.504(6) . ?
C10 C11 1.445(6) . ?
C10 C31 1.507(6) . ?
C11 C12 1.379(5) . ?
C12 C13 1.377(6) . ?
C12 H12 0.9500 . ?
C13 C14 1.438(5) . ?
C14 C15 1.353(6) . ?
C14 C37 1.517(6) . ?
C15 C16 1.472(5) . ?
C15 C23 1.511(6) . ?
C16 C17 1.395(6) . ?
C17 C18 1.409(5) . ?
C17 C55 1.493(5) . ?
C18 C19 1.469(6) . ?
C19 C20 1.359(5) . ?
C19 C24 1.502(5) . ?
C20 C43 1.496(6) . ?
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 1.531(5) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.513(6) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.525(6) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.545(7) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.503(7) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.544(5) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.528(6) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.512(6) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.519(6) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.520(6) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.550(7) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.499(7) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40 1.545(9) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 C41 1.490(16) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.47(3) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C40' C41' 1.515(9) . ?
C40' H40C 0.9900 . ?
C40' H40D 0.9900 . ?
C41' C42' 1.62(2) . ?
C41' H41C 0.9900 . ?
C41' H41D 0.9900 . ?
C42' H42D 0.9800 . ?
C42' H42E 0.9800 . ?
C42' H42F 0.9800 . ?
C43 C44 1.533(5) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.541(6) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.523(6) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 C47 1.537(8) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.543(7) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C50 1.383(6) . ?
C49 C54 1.402(6) . ?
C50 C51 1.401(7) . ?
C50 H50 0.9500 . ?
C51 C52 1.381(8) . ?
C51 H51 0.9500 . ?
C52 C53 1.381(8) . ?
C52 H52 0.9500 . ?
C53 C54 1.381(7) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C55 C60 1.380(5) . ?
C55 C56 1.388(5) . ?
C56 C57 1.395(6) . ?
C56 H56 0.9500 . ?
C57 C58 1.380(7) . ?
C57 H57 0.9500 . ?
C58 C59 1.373(7) . ?
C58 H58 0.9500 . ?
C59 C60 1.391(6) . ?
C59 H59 0.9500 . ?
C60 H60 0.9500 . ?
C61 C62 1.383(6) . ?
C61 H61 0.9500 . ?
C62 C63 1.369(7) . ?
C62 H62 0.9500 . ?
C63 C64 1.397(6) . ?
C63 H63 0.9500 . ?
C64 C65 1.372(6) . ?
C64 H64 0.9500 . ?
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
N3 Rh1 N1 C1 -76(5) . . . . ?
N2 Rh1 N1 C1 -0.3(3) . . . . ?
N4 Rh1 N1 C1 177.9(3) . . . . ?
N5 Rh1 N1 C1 -92.2(3) . . . . ?
I1 Rh1 N1 C1 91.4(3) . . . . ?
N3 Rh1 N1 C18 104(5) . . . . ?
N2 Rh1 N1 C18 179.6(3) . . . . ?
N4 Rh1 N1 C18 -2.2(3) . . . . ?
N5 Rh1 N1 C18 87.7(3) . . . . ?
I1 Rh1 N1 C18 -88.7(3) . . . . ?
N1 Rh1 N2 C3 3.0(3) . . . . ?
N3 Rh1 N2 C3 -178.5(3) . . . . ?
N4 Rh1 N2 C3 -85(4) . . . . ?
N5 Rh1 N2 C3 91.3(3) . . . . ?
I1 Rh1 N2 C3 -89.6(3) . . . . ?
N1 Rh1 N2 C6 176.5(3) . . . . ?
N3 Rh1 N2 C6 -5.0(3) . . . . ?
N4 Rh1 N2 C6 88(4) . . . . ?
N5 Rh1 N2 C6 -95.2(3) . . . . ?
I1 Rh1 N2 C6 84.0(3) . . . . ?
N1 Rh1 N3 C11 -106(5) . . . . ?
N2 Rh1 N3 C11 177.7(3) . . . . ?
N4 Rh1 N3 C11 -0.6(3) . . . . ?
N5 Rh1 N3 C11 -90.3(3) . . . . ?
I1 Rh1 N3 C11 86.0(3) . . . . ?
N1 Rh1 N3 C8 76(5) . . . . ?
N2 Rh1 N3 C8 -0.2(3) . . . . ?
N4 Rh1 N3 C8 -178.5(3) . . . . ?
N5 Rh1 N3 C8 91.8(3) . . . . ?
I1 Rh1 N3 C8 -91.9(3) . . . . ?
N1 Rh1 N4 C13 -173.4(3) . . . . ?
N3 Rh1 N4 C13 8.1(3) . . . . ?
N2 Rh1 N4 C13 -85(4) . . . . ?
N5 Rh1 N4 C13 98.4(3) . . . . ?
I1 Rh1 N4 C13 -80.8(3) . . . . ?
N1 Rh1 N4 C16 -5.6(3) . . . . ?
N3 Rh1 N4 C16 175.9(3) . . . . ?
N2 Rh1 N4 C16 83(4) . . . . ?
N5 Rh1 N4 C16 -93.8(3) . . . . ?
I1 Rh1 N4 C16 87.0(3) . . . . ?
N1 Rh1 N5 C61 59.2(3) . . . . ?
N3 Rh1 N5 C61 -120.3(3) . . . . ?
N2 Rh1 N5 C61 -33.1(3) . . . . ?
N4 Rh1 N5 C61 146.8(3) . . . . ?
I1 Rh1 N5 C61 159.7(12) . . . . ?
N1 Rh1 N5 C65 -115.8(3) . . . . ?
N3 Rh1 N5 C65 64.6(3) . . . . ?
N2 Rh1 N5 C65 151.9(3) . . . . ?
N4 Rh1 N5 C65 -28.2(3) . . . . ?
I1 Rh1 N5 C65 -15.3(16) . . . . ?
C18 N1 C1 C2 177.9(3) . . . . ?
Rh1 N1 C1 C2 -2.2(5) . . . . ?
C18 N1 C1 C20 -2.7(4) . . . . ?
Rh1 N1 C1 C20 177.2(2) . . . . ?
N1 C1 C2 C3 2.8(6) . . . . ?
C20 C1 C2 C3 -176.6(4) . . . . ?
C6 N2 C3 C2 -178.3(3) . . . . ?
Rh1 N2 C3 C2 -3.5(5) . . . . ?
C6 N2 C3 C4 1.6(4) . . . . ?
Rh1 N2 C3 C4 176.4(2) . . . . ?
C1 C2 C3 N2 0.5(6) . . . . ?
C1 C2 C3 C4 -179.4(4) . . . . ?
N2 C3 C4 C5 -2.2(4) . . . . ?
C2 C3 C4 C5 177.7(4) . . . . ?
N2 C3 C4 C25 176.1(3) . . . . ?
C2 C3 C4 C25 -4.0(6) . . . . ?
C3 C4 C5 C6 1.8(4) . . . . ?
C25 C4 C5 C6 -176.4(3) . . . . ?
C3 C4 C5 C21 -177.1(3) . . . . ?
C25 C4 C5 C21 4.7(6) . . . . ?
C3 N2 C6 C7 -179.1(3) . . . . ?
Rh1 N2 C6 C7 6.6(5) . . . . ?
C3 N2 C6 C5 -0.5(4) . . . . ?
Rh1 N2 C6 C5 -174.9(2) . . . . ?
C4 C5 C6 N2 -0.9(4) . . . . ?
C21 C5 C6 N2 177.9(4) . . . . ?
C4 C5 C6 C7 177.6(4) . . . . ?
C21 C5 C6 C7 -3.5(6) . . . . ?
N2 C6 C7 C8 -1.4(6) . . . . ?
C5 C6 C7 C8 -179.7(3) . . . . ?
N2 C6 C7 C49 179.6(3) . . . . ?
C5 C6 C7 C49 1.3(6) . . . . ?
C11 N3 C8 C7 -173.9(3) . . . . ?
Rh1 N3 C8 C7 4.3(5) . . . . ?
C11 N3 C8 C9 2.8(4) . . . . ?
Rh1 N3 C8 C9 -179.0(2) . . . . ?
C6 C7 C8 N3 -4.1(6) . . . . ?
C49 C7 C8 N3 174.8(3) . . . . ?
C6 C7 C8 C9 179.8(4) . . . . ?
C49 C7 C8 C9 -1.2(6) . . . . ?
N3 C8 C9 C10 -1.6(4) . . . . ?
C7 C8 C9 C10 175.0(3) . . . . ?
N3 C8 C9 C22 177.3(4) . . . . ?
C7 C8 C9 C22 -6.1(7) . . . . ?
C8 C9 C10 C11 -0.3(4) . . . . ?
C22 C9 C10 C11 -179.3(4) . . . . ?
C8 C9 C10 C31 -178.4(4) . . . . ?
C22 C9 C10 C31 2.6(6) . . . . ?
C8 N3 C11 C12 173.4(3) . . . . ?
Rh1 N3 C11 C12 -4.9(5) . . . . ?
C8 N3 C11 C10 -3.0(4) . . . . ?
Rh1 N3 C11 C10 178.7(2) . . . . ?
C9 C10 C11 N3 2.1(4) . . . . ?
C31 C10 C11 N3 -179.6(3) . . . . ?
C9 C10 C11 C12 -174.5(4) . . . . ?
C31 C10 C11 C12 3.8(6) . . . . ?
N3 C11 C12 C13 4.0(6) . . . . ?
C10 C11 C12 C13 180.0(4) . . . . ?
C16 N4 C13 C12 178.4(4) . . . . ?
Rh1 N4 C13 C12 -11.5(5) . . . . ?
C16 N4 C13 C14 -0.9(4) . . . . ?
Rh1 N4 C13 C14 169.2(2) . . . . ?
C11 C12 C13 N4 5.3(7) . . . . ?
C11 C12 C13 C14 -175.5(4) . . . . ?
N4 C13 C14 C15 2.1(4) . . . . ?
C12 C13 C14 C15 -177.2(4) . . . . ?
N4 C13 C14 C37 -173.7(4) . . . . ?
C12 C13 C14 C37 7.0(6) . . . . ?
C13 C14 C15 C16 -2.4(4) . . . . ?
C37 C14 C15 C16 173.2(4) . . . . ?
C13 C14 C15 C23 176.0(4) . . . . ?
C37 C14 C15 C23 -8.5(7) . . . . ?
C13 N4 C16 C17 178.1(3) . . . . ?
Rh1 N4 C16 C17 8.8(5) . . . . ?
C13 N4 C16 C15 -0.6(4) . . . . ?
Rh1 N4 C16 C15 -169.9(2) . . . . ?
C14 C15 C16 N4 1.9(4) . . . . ?
C23 C15 C16 N4 -176.3(4) . . . . ?
C14 C15 C16 C17 -176.7(4) . . . . ?
C23 C15 C16 C17 5.1(7) . . . . ?
N4 C16 C17 C18 -2.9(6) . . . . ?
C15 C16 C17 C18 175.5(4) . . . . ?
N4 C16 C17 C55 -176.0(3) . . . . ?
C15 C16 C17 C55 2.5(6) . . . . ?
C1 N1 C18 C17 -172.7(3) . . . . ?
Rh1 N1 C18 C17 7.4(5) . . . . ?
C1 N1 C18 C19 3.7(4) . . . . ?
Rh1 N1 C18 C19 -176.2(2) . . . . ?
C16 C17 C18 N1 -5.4(6) . . . . ?
C55 C17 C18 N1 167.8(3) . . . . ?
C16 C17 C18 C19 178.9(4) . . . . ?
C55 C17 C18 C19 -7.9(5) . . . . ?
N1 C18 C19 C20 -3.4(4) . . . . ?
C17 C18 C19 C20 172.8(3) . . . . ?
N1 C18 C19 C24 172.8(4) . . . . ?
C17 C18 C19 C24 -11.0(7) . . . . ?
C18 C19 C20 C1 1.7(4) . . . . ?
C24 C19 C20 C1 -174.8(4) . . . . ?
C18 C19 C20 C43 -178.5(3) . . . . ?
C24 C19 C20 C43 5.0(6) . . . . ?
N1 C1 C20 C19 0.6(4) . . . . ?
C2 C1 C20 C19 -180.0(3) . . . . ?
N1 C1 C20 C43 -179.2(3) . . . . ?
C2 C1 C20 C43 0.2(6) . . . . ?
C5 C4 C25 C26 82.8(5) . . . . ?
C3 C4 C25 C26 -95.2(4) . . . . ?
C4 C25 C26 C27 59.6(5) . . . . ?
C25 C26 C27 C28 -177.8(4) . . . . ?
C26 C27 C28 C29 175.1(4) . . . . ?
C27 C28 C29 C30 -176.5(5) . . . . ?
C9 C10 C31 C32 99.6(5) . . . . ?
C11 C10 C31 C32 -78.2(5) . . . . ?
C10 C31 C32 C33 172.2(4) . . . . ?
C31 C32 C33 C34 -179.9(4) . . . . ?
C32 C33 C34 C35 -178.4(4) . . . . ?
C33 C34 C35 C36 -179.1(4) . . . . ?
C15 C14 C37 C38 -91.3(6) . . . . ?
C13 C14 C37 C38 83.6(5) . . . . ?
C14 C37 C38 C39 -170.5(5) . . . . ?
C37 C38 C39 C40 169.9(7) . . . . ?
C38 C39 C40 C41 64.4(14) . . . . ?
C39 C40 C41 C42 -179.6(18) . . . . ?
C19 C20 C43 C44 -94.4(5) . . . . ?
C1 C20 C43 C44 85.4(5) . . . . ?
C20 C43 C44 C45 166.6(4) . . . . ?
C43 C44 C45 C46 169.5(4) . . . . ?
C44 C45 C46 C47 -76.8(6) . . . . ?
C45 C46 C47 C48 -175.0(5) . . . . ?
C6 C7 C49 C50 90.8(5) . . . . ?
C8 C7 C49 C50 -88.3(5) . . . . ?
C6 C7 C49 C54 -88.0(5) . . . . ?
C8 C7 C49 C54 93.0(5) . . . . ?
C54 C49 C50 C51 0.0(7) . . . . ?
C7 C49 C50 C51 -178.7(5) . . . . ?
C49 C50 C51 C52 1.1(9) . . . . ?
C50 C51 C52 C53 -1.3(10) . . . . ?
C51 C52 C53 C54 0.3(10) . . . . ?
C52 C53 C54 C49 0.8(9) . . . . ?
C50 C49 C54 C53 -1.0(7) . . . . ?
C7 C49 C54 C53 177.8(5) . . . . ?
C16 C17 C55 C60 94.5(5) . . . . ?
C18 C17 C55 C60 -79.2(5) . . . . ?
C16 C17 C55 C56 -86.0(5) . . . . ?
C18 C17 C55 C56 100.4(5) . . . . ?
C60 C55 C56 C57 0.6(6) . . . . ?
C17 C55 C56 C57 -179.0(4) . . . . ?
C55 C56 C57 C58 -1.1(7) . . . . ?
C56 C57 C58 C59 0.5(7) . . . . ?
C57 C58 C59 C60 0.6(7) . . . . ?
C56 C55 C60 C59 0.5(6) . . . . ?
C17 C55 C60 C59 -179.9(4) . . . . ?
C58 C59 C60 C55 -1.1(7) . . . . ?
C65 N5 C61 C62 0.2(6) . . . . ?
Rh1 N5 C61 C62 -174.8(3) . . . . ?
N5 C61 C62 C63 0.1(7) . . . . ?
C61 C62 C63 C64 -0.8(7) . . . . ?
C62 C63 C64 C65 1.2(7) . . . . ?
C61 N5 C65 C64 0.2(6) . . . . ?
Rh1 N5 C65 C64 175.4(3) . . . . ?
C63 C64 C65 N5 -0.9(7) . . . . ?
