#------------------------------------------------------------------------------
#$Date: 2016-03-23 04:05:21 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179276 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/96/4319659.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_4319659
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         'C192 H236 I2 N14 O4 Rh2 Sn'
_chemical_formula_sum            'C192 H236 I2 N14 O4 Rh2 Sn'
_chemical_formula_weight         3382.26
_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                117.1100(10)
_cell_angle_beta                 94.2950(10)
_cell_angle_gamma                109.7730(10)
_cell_formula_units_Z            1
_cell_length_a                   16.6542(5)
_cell_length_b                   17.7629(6)
_cell_length_c                   17.8328(6)
_cell_measurement_reflns_used    27404
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.00
_cell_measurement_theta_min      3.07
_cell_volume                     4250.5(2)
_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 0.890
_diffrn_measured_fraction_theta_max 0.890
_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  0.0316
_diffrn_reflns_av_sigmaI/netI    0.0580
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            42943
_diffrn_reflns_theta_full        29.35
_diffrn_reflns_theta_max         29.35
_diffrn_reflns_theta_min         2.02
_exptl_absorpt_coefficient_mu    0.760
_exptl_absorpt_correction_T_max  0.9924
_exptl_absorpt_correction_T_min  0.8753
_exptl_absorpt_correction_type   multiscans
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.321
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1764
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.01
_refine_diff_density_max         2.219
_refine_diff_density_min         -1.370
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     822
_refine_ls_number_reflns         22479
_refine_ls_number_restraints     66
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.0828
_refine_ls_R_factor_gt           0.0591
_refine_ls_shift/su_max          1.225
_refine_ls_shift/su_mean         0.026
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1185P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1788
_refine_ls_wR_factor_ref         0.1865
_reflns_number_gt                15983
_reflns_number_total             22479
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic001038f_01.cif
_cod_data_source_block           js0004
_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               4319659
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 0.895456(17) 0.037901(19) 0.20101(2) 0.03821(9) Uani 1 1 d . . .
Rh1 Rh 0.799659(17) 0.131487(19) 0.261790(19) 0.02463(8) Uani 1 1 d . . .
Sn1 Sn 0.5000 0.5000 0.5000 0.02902(10) Uani 1 2 d S . .
N1 N 0.9028(2) 0.2481(2) 0.2826(2) 0.0291(7) Uani 1 1 d . . .
N2 N 0.8529(2) 0.1696(2) 0.3870(2) 0.0306(7) Uani 1 1 d . . .
N3 N 0.6966(2) 0.0153(2) 0.2415(2) 0.0293(7) Uani 1 1 d . . .
N4 N 0.7466(2) 0.0924(2) 0.1363(2) 0.0265(7) Uani 1 1 d . . .
N5 N 0.5486(2) 0.5137(2) 0.6188(2) 0.0333(8) Uani 1 1 d . . .
N6 N 0.6126(2) 0.6215(2) 0.5361(2) 0.0320(8) Uani 1 1 d . . .
N7 N 0.72065(19) 0.2057(2) 0.3072(2) 0.0242(6) Uani 1 1 d . . .
O1 O 0.4802(2) 0.3113(2) 0.3235(2) 0.0510(9) Uani 1 1 d . . .
O2 O 0.57675(18) 0.42356(19) 0.45255(19) 0.0336(6) Uani 1 1 d . . .
C1 C 0.8597(3) 0.2233(3) 0.1364(3) 0.0330(9) Uani 1 1 d . . .
H1 H 0.8761 0.2501 0.1013 0.040 Uiso 1 1 calc R . .
C2 C 0.9148(2) 0.2708(3) 0.2196(3) 0.0312(8) Uani 1 1 d . . .
C3 C 0.9972(3) 0.3524(3) 0.2517(3) 0.0345(9) Uani 1 1 d . B .
C4 C 1.0346(3) 0.3783(3) 0.3346(3) 0.0327(9) Uani 1 1 d . . .
C5 C 0.9753(2) 0.3115(3) 0.3540(3) 0.0293(8) Uani 1 1 d . . .
C6 C 0.9883(2) 0.3091(3) 0.4316(3) 0.0312(9) Uani 1 1 d . . .
C7 C 0.9315(2) 0.2431(3) 0.4469(3) 0.0309(8) Uani 1 1 d . . .
C8 C 0.9413(3) 0.2401(3) 0.5283(3) 0.0343(9) Uani 1 1 d . . .
C9 C 0.8675(3) 0.1662(3) 0.5145(3) 0.0385(10) Uani 1 1 d . D .
C10 C 0.8152(3) 0.1222(3) 0.4268(3) 0.0339(9) Uani 1 1 d . . .
C11 C 0.7363(3) 0.0413(3) 0.3885(3) 0.0377(9) Uani 1 1 d . . .
H11 H 0.7165 0.0173 0.4249 0.045 Uiso 1 1 calc R . .
C12 C 0.6844(3) -0.0071(3) 0.3039(3) 0.0326(9) Uani 1 1 d . . .
C13 C 0.6072(3) -0.0953(3) 0.2687(3) 0.0353(9) Uani 1 1 d . . .
C14 C 0.5734(3) -0.1252(3) 0.1844(3) 0.0378(10) Uani 1 1 d . . .
C15 C 0.6300(2) -0.0546(3) 0.1662(3) 0.0314(8) Uani 1 1 d . . .
C16 C 0.6203(2) -0.0567(3) 0.0871(3) 0.0308(8) Uani 1 1 d . . .
C17 C 0.6749(2) 0.0137(2) 0.0729(2) 0.0274(8) Uani 1 1 d . . .
C18 C 0.6650(3) 0.0149(3) -0.0078(3) 0.0313(8) Uani 1 1 d . . .
C19 C 0.7325(3) 0.0943(3) 0.0075(3) 0.0339(9) Uani 1 1 d . . .
C20 C 0.7829(3) 0.1411(3) 0.0972(3) 0.0310(8) Uani 1 1 d . . .
C21 C 1.1220(3) 0.4602(3) 0.3904(3) 0.0414(10) Uani 1 1 d . . .
H21A H 1.1655 0.4382 0.4018 0.062 Uiso 1 1 calc R . .
H21B H 1.1147 0.5020 0.4461 0.062 Uiso 1 1 calc R . .
H21C H 1.1429 0.4937 0.3598 0.062 Uiso 1 1 calc R . .
C22 C 1.0149(3) 0.3016(3) 0.6117(3) 0.0439(11) Uani 1 1 d . . .
H22A H 1.0087 0.2721 0.6472 0.066 Uiso 1 1 calc R . .
H22B H 1.0121 0.3620 0.6445 0.066 Uiso 1 1 calc R . .
H22C H 1.0721 0.3110 0.5980 0.066 Uiso 1 1 calc R . .
C23 C 0.4912(4) -0.2137(4) 0.1244(4) 0.0602(16) Uani 1 1 d . . .
H23A H 0.4705 -0.2472 0.1552 0.090 Uiso 1 1 calc R . .
H23B H 0.5051 -0.2531 0.0721 0.090 Uiso 1 1 calc R . .
H23C H 0.4446 -0.1982 0.1071 0.090 Uiso 1 1 calc R . .
C24 C 0.5948(3) -0.0527(3) -0.0940(3) 0.0402(10) Uani 1 1 d . . .
H24A H 0.6036 -0.0278 -0.1333 0.060 Uiso 1 1 calc R . .
H24B H 0.5360 -0.0616 -0.0842 0.060 Uiso 1 1 calc R . .
H24C H 0.5992 -0.1126 -0.1206 0.060 Uiso 1 1 calc R . .
C25 C 1.0321(3) 0.3964(3) 0.1991(3) 0.0469(5) Uiso 1 1 d D . .
H25A H 1.0978 0.4250 0.2183 0.056 Uiso 1 1 calc R A 1
H25B H 1.0134 0.3470 0.1367 0.056 Uiso 1 1 calc R A 1
C26 C 1.0014(4) 0.4696(4) 0.2072(4) 0.0653(6) Uiso 0.50 1 d PD B 1
H26A H 0.9359 0.4399 0.1852 0.078 Uiso 0.50 1 calc PR B 1
H26B H 1.0171 0.5168 0.2701 0.078 Uiso 0.50 1 calc PR B 1
C27 C 1.0380(7) 0.5185(8) 0.1601(9) 0.0730(8) Uiso 0.50 1 d PD B 1
H27A H 1.0184 0.5694 0.1773 0.088 Uiso 0.50 1 calc PR B 1
H27B H 1.0085 0.4738 0.0968 0.088 Uiso 0.50 1 calc PR B 1
C28 C 1.1356(6) 0.5600(10) 0.1697(9) 0.0769(10) Uiso 0.50 1 d PD B 1
H28A H 1.1580 0.5113 0.1542 0.092 Uiso 0.50 1 calc PR B 1
H28B H 1.1670 0.6096 0.2314 0.092 Uiso 0.50 1 calc PR B 1
C29 C 1.1549(7) 0.6010(10) 0.1102(9) 0.0834(10) Uiso 0.50 1 d PD B 1
H29A H 1.1325 0.5487 0.0488 0.100 Uiso 0.50 1 calc PR B 1
H29B H 1.1201 0.6381 0.1169 0.100 Uiso 0.50 1 calc PR B 1
C30 C 1.2485(8) 0.6606(11) 0.1249(11) 0.0936(12) Uiso 0.50 1 d PD B 1
H30A H 1.2826 0.6837 0.1840 0.140 Uiso 0.50 1 calc PR B 1
H30B H 1.2515 0.7135 0.1187 0.140 Uiso 0.50 1 calc PR B 1
H30C H 1.2734 0.6242 0.0816 0.140 Uiso 0.50 1 calc PR B 1
C26' C 1.0014(4) 0.4696(4) 0.2072(4) 0.0653(6) Uiso 0.50 1 d PD B 2
H26C H 0.9483 0.4607 0.2295 0.078 Uiso 0.50 1 calc PR B 2
H26D H 1.0485 0.5314 0.2518 0.078 Uiso 0.50 1 calc PR B 2
C27' C 0.9789(8) 0.4716(9) 0.1255(7) 0.0730(8) Uiso 0.50 1 d PD B 2
H27C H 0.9434 0.4069 0.0768 0.088 Uiso 0.50 1 calc PR B 2
H27D H 1.0347 0.4964 0.1114 0.088 Uiso 0.50 1 calc PR B 2
C28' C 0.9278(7) 0.5294(9) 0.1302(9) 0.0769(10) Uiso 0.50 1 d PD B 2
H28C H 0.9636 0.5944 0.1784 0.092 Uiso 0.50 1 calc PR B 2
H28D H 0.9202 0.5299 0.0749 0.092 Uiso 0.50 1 calc PR B 2
C29' C 0.8388(8) 0.4954(10) 0.1447(11) 0.0834(10) Uiso 0.50 1 d PD B 2
H29C H 0.8467 0.5091 0.2058 0.100 Uiso 0.50 1 calc PR B 2
H29D H 0.8082 0.4269 0.1055 0.100 Uiso 0.50 1 calc PR B 2
C30' C 0.7803(9) 0.5391(12) 0.1279(12) 0.0936(12) Uiso 0.50 1 d PD B 2
H30D H 0.7826 0.5899 0.1838 0.140 Uiso 0.50 1 calc PR B 2
H30E H 0.7190 0.4917 0.0987 0.140 Uiso 0.50 1 calc PR B 2
H30F H 0.8017 0.5637 0.0905 0.140 Uiso 0.50 1 calc PR B 2
C31 C 0.8431(3) 0.1344(4) 0.5780(3) 0.0469(5) Uiso 1 1 d D . .
H31A H 0.8981 0.1512 0.6190 0.056 Uiso 1 1 calc R C 1
H31B H 0.8106 0.0657 0.5452 0.056 Uiso 1 1 calc R C 1
C32 C 0.7867(4) 0.1764(4) 0.6299(4) 0.0653(6) Uiso 0.50 1 d PD D 1
H32A H 0.8231 0.2434 0.6722 0.078 Uiso 0.50 1 calc PR D 1
H32B H 0.7378 0.1708 0.5897 0.078 Uiso 0.50 1 calc PR D 1
C33 C 0.7487(7) 0.1291(7) 0.6783(7) 0.0730(8) Uiso 0.50 1 d PD D 1
H33A H 0.7236 0.1676 0.7206 0.088 Uiso 0.50 1 calc PR D 1
H33B H 0.7983 0.1295 0.7130 0.088 Uiso 0.50 1 calc PR D 1
C34 C 0.6786(8) 0.0312(7) 0.6267(8) 0.0769(10) Uiso 0.50 1 d PD D 1
H34A H 0.7013 -0.0091 0.5830 0.092 Uiso 0.50 1 calc PR D 1
H34B H 0.6259 0.0292 0.5950 0.092 Uiso 0.50 1 calc PR D 1
C35 C 0.6526(10) -0.0050(8) 0.6890(8) 0.0834(10) Uiso 0.50 1 d PD D 1
H35A H 0.7069 0.0013 0.7227 0.100 Uiso 0.50 1 calc PR D 1
H35B H 0.6291 0.0354 0.7313 0.100 Uiso 0.50 1 calc PR D 1
C36 C 0.5864(12) -0.1025(9) 0.6467(11) 0.0936(12) Uiso 0.50 1 d PD D 1
H36A H 0.5514 -0.1210 0.5896 0.140 Uiso 0.50 1 calc PR D 1
H36B H 0.5470 -0.1083 0.6838 0.140 Uiso 0.50 1 calc PR D 1
H36C H 0.6168 -0.1432 0.6384 0.140 Uiso 0.50 1 calc PR D 1
C32' C 0.7867(4) 0.1764(4) 0.6299(4) 0.0653(6) Uiso 0.50 1 d PD D 2
H32C H 0.7245 0.1416 0.5930 0.078 Uiso 0.50 1 calc PR D 2
H32D H 0.8068 0.2415 0.6434 0.078 Uiso 0.50 1 calc PR D 2
C33' C 0.7886(9) 0.1760(8) 0.7152(6) 0.0730(8) Uiso 0.50 1 d PD D 2
H33C H 0.8512 0.2056 0.7496 0.088 Uiso 0.50 1 calc PR D 2
H33D H 0.7633 0.1105 0.7011 0.088 Uiso 0.50 1 calc PR D 2
C34' C 0.7385(8) 0.2257(7) 0.7723(7) 0.0769(10) Uiso 0.50 1 d PD D 2
H34C H 0.6785 0.2029 0.7354 0.092 Uiso 0.50 1 calc PR D 2
H34D H 0.7312 0.2082 0.8176 0.092 Uiso 0.50 1 calc PR D 2
C35' C 0.7813(9) 0.3293(7) 0.8168(10) 0.0834(10) Uiso 0.50 1 d PD D 2
H35C H 0.7874 0.3471 0.7717 0.100 Uiso 0.50 1 calc PR D 2
H35D H 0.8417 0.3523 0.8530 0.100 Uiso 0.50 1 calc PR D 2
C36' C 0.7302(11) 0.3779(9) 0.8756(10) 0.0936(12) Uiso 0.50 1 d PD D 2
H36D H 0.6671 0.3355 0.8542 0.140 Uiso 0.50 1 calc PR D 2
H36E H 0.7378 0.4343 0.8742 0.140 Uiso 0.50 1 calc PR D 2
H36F H 0.7533 0.3946 0.9359 0.140 Uiso 0.50 1 calc PR D 2
C37 C 0.5739(3) -0.1393(4) 0.3210(3) 0.0469(5) Uiso 1 1 d D F .
H37A H 0.6251 -0.1302 0.3613 0.056 Uiso 1 1 calc R . .
H37B H 0.5390 -0.2071 0.2809 0.056 Uiso 1 1 calc R . .
C38 C 0.5162(4) -0.0984(4) 0.3741(4) 0.0653(6) Uiso 1 1 d D . .
H38A H 0.4632 -0.1108 0.3334 0.078 Uiso 1 1 calc R E 1
H38B H 0.5500 -0.0300 0.4114 0.078 Uiso 1 1 calc R E 1
C39 C 0.4858(4) -0.1384(4) 0.4324(4) 0.0730(8) Uiso 0.50 1 d PD F 1
H39A H 0.4658 -0.0972 0.4786 0.088 Uiso 0.50 1 calc PR F 1
H39B H 0.5353 -0.1437 0.4610 0.088 Uiso 0.50 1 calc PR F 1
C40 C 0.4088(8) -0.2353(7) 0.3730(7) 0.0769(10) Uiso 0.50 1 d PD F 1
H40A H 0.3588 -0.2292 0.3463 0.092 Uiso 0.50 1 calc PR F 1
H40B H 0.4284 -0.2750 0.3252 0.092 Uiso 0.50 1 calc PR F 1
C41 C 0.3786(8) -0.2800(8) 0.4271(8) 0.0834(10) Uiso 0.50 1 d PD F 1
H41A H 0.4285 -0.2876 0.4519 0.100 Uiso 0.50 1 calc PR F 1
H41B H 0.3623 -0.2380 0.4766 0.100 Uiso 0.50 1 calc PR F 1
C42 C 0.3005(9) -0.3736(8) 0.3743(10) 0.0936(12) Uiso 0.50 1 d PD F 1
H42A H 0.2532 -0.3745 0.4039 0.140 Uiso 0.50 1 calc PR F 1
H42B H 0.3188 -0.4224 0.3688 0.140 Uiso 0.50 1 calc PR F 1
H42C H 0.2786 -0.3849 0.3160 0.140 Uiso 0.50 1 calc PR F 1
C39' C 0.4858(4) -0.1384(4) 0.4324(4) 0.0730(8) Uiso 0.50 1 d PD F 2
H39C H 0.4311 -0.1310 0.4449 0.088 Uiso 0.50 1 calc PR F 2
H39D H 0.4709 -0.2060 0.4000 0.088 Uiso 0.50 1 calc PR F 2
C40' C 0.5547(8) -0.0925(9) 0.5188(6) 0.0769(10) Uiso 0.50 1 d PD F 2
H40C H 0.6093 -0.0998 0.5060 0.092 Uiso 0.50 1 calc PR F 2
H40D H 0.5697 -0.0249 0.5509 0.092 Uiso 0.50 1 calc PR F 2
C41' C 0.5266(9) -0.1306(10) 0.5781(7) 0.0834(10) Uiso 0.50 1 d PD F 2
H41C H 0.5200 -0.1958 0.5500 0.100 Uiso 0.50 1 calc PR F 2
H41D H 0.4681 -0.1310 0.5851 0.100 Uiso 0.50 1 calc PR F 2
C42' C 0.5931(12) -0.0736(12) 0.6683(7) 0.0936(12) Uiso 0.50 1 d PD F 2
H42D H 0.6521 -0.0693 0.6616 0.140 Uiso 0.50 1 calc PR F 2
H42E H 0.5749 -0.1040 0.7021 0.140 Uiso 0.50 1 calc PR F 2
H42F H 0.5950 -0.0109 0.6991 0.140 Uiso 0.50 1 calc PR F 2
C43 C 0.7518(3) 0.1253(4) -0.0567(3) 0.0469(5) Uiso 1 1 d . . .
H43A H 0.7904 0.1930 -0.0244 0.056 Uiso 1 1 calc R . .
H43B H 0.6956 0.1151 -0.0908 0.056 Uiso 1 1 calc R . .
C44 C 0.7977(4) 0.0732(5) -0.1205(4) 0.0653(6) Uiso 1 1 d . . .
H44A H 0.7668 0.0059 -0.1417 0.078 Uiso 1 1 calc R . .
H44B H 0.7910 0.0809 -0.1719 0.078 Uiso 1 1 calc R . .
C45 C 0.8929(5) 0.1046(5) -0.0826(5) 0.0730(8) Uiso 1 1 d . . .
H45A H 0.9122 0.0565 -0.1204 0.088 Uiso 1 1 calc R . .
H45B H 0.9013 0.1107 -0.0243 0.088 Uiso 1 1 calc R . .
C47 C 1.0492(5) 0.2276(5) -0.0409(5) 0.0769(10) Uiso 1 1 d . . .
H47A H 1.0668 0.1791 -0.0810 0.092 Uiso 1 1 calc R . .
H47B H 1.0628 0.2352 0.0178 0.092 Uiso 1 1 calc R . .
C46 C 0.9513(5) 0.1968(6) -0.0731(5) 0.0834(10) Uiso 1 1 d . . .
H46A H 0.9390 0.1919 -0.1307 0.100 Uiso 1 1 calc R . .
H46B H 0.9346 0.2455 -0.0320 0.100 Uiso 1 1 calc R . .
C48 C 1.1017(6) 0.3182(6) -0.0357(6) 0.0936(12) Uiso 1 1 d . . .
H48A H 1.0822 0.3135 -0.0915 0.140 Uiso 1 1 calc R . .
H48B H 1.1649 0.3316 -0.0237 0.140 Uiso 1 1 calc R . .
H48C H 1.0923 0.3686 0.0115 0.140 Uiso 1 1 calc R . .
C49 C 1.0703(2) 0.3842(3) 0.5039(3) 0.0319(9) Uani 1 1 d . . .
C50 C 1.1485(3) 0.3720(3) 0.5093(3) 0.0418(11) Uani 1 1 d . . .
H50 H 1.1511 0.3171 0.4655 0.050 Uiso 1 1 calc R . .
C52 C 1.2191(3) 0.5196(3) 0.6424(3) 0.0490(12) Uani 1 1 d . . .
H52 H 1.2698 0.5656 0.6906 0.059 Uiso 1 1 calc R . .
C51 C 1.2225(3) 0.4406(4) 0.5791(4) 0.0502(13) Uani 1 1 d . . .
H51 H 1.2760 0.4326 0.5830 0.060 Uiso 1 1 calc R . .
C53 C 1.1426(3) 0.5330(3) 0.6368(3) 0.0478(12) Uani 1 1 d . . .
H53 H 1.1407 0.5882 0.6807 0.057 Uiso 1 1 calc R . .
C54 C 1.0683(3) 0.4654(3) 0.5667(3) 0.0379(10) Uani 1 1 d . . .
H54 H 1.0159 0.4752 0.5620 0.046 Uiso 1 1 calc R . .
C55 C 0.5494(3) -0.1425(3) 0.0098(3) 0.0337(9) Uani 1 1 d . . .
C56 C 0.4637(3) -0.1519(3) -0.0110(3) 0.0434(11) Uani 1 1 d . . .
H56 H 0.4488 -0.1021 0.0243 0.052 Uiso 1 1 calc R . .
C57 C 0.3990(4) -0.2323(4) -0.0823(4) 0.0618(16) Uani 1 1 d . . .
H57 H 0.3399 -0.2387 -0.0954 0.074 Uiso 1 1 calc R . .
C58 C 0.4221(4) -0.3024(3) -0.1337(4) 0.0621(16) Uani 1 1 d . . .
H58 H 0.3781 -0.3581 -0.1825 0.075 Uiso 1 1 calc R . .
C59 C 0.5078(4) -0.2941(3) -0.1162(3) 0.0533(13) Uani 1 1 d . . .
H59 H 0.5230 -0.3427 -0.1536 0.064 Uiso 1 1 calc R . .
C60 C 0.5712(3) -0.2142(3) -0.0439(3) 0.0404(10) Uani 1 1 d . . .
H60 H 0.6301 -0.2083 -0.0308 0.048 Uiso 1 1 calc R . .
C61 C 0.4301(3) 0.3707(3) 0.5941(3) 0.0392(10) Uani 1 1 d . . .
H61 H 0.4104 0.3340 0.6202 0.047 Uiso 1 1 calc R . .
C62 C 0.5079(3) 0.4507(3) 0.6436(3) 0.0374(10) Uani 1 1 d . . .
C63 C 0.5601(3) 0.4784(3) 0.7272(3) 0.0434(11) Uani 1 1 d . H .
C64 C 0.6339(3) 0.5593(3) 0.7522(3) 0.0399(10) Uani 1 1 d . . .
C65 C 0.6264(2) 0.5826(3) 0.6845(3) 0.0336(9) Uani 1 1 d . . .
C66 C 0.6847(2) 0.6603(3) 0.6831(3) 0.0331(9) Uani 1 1 d . . .
C67 C 0.6776(2) 0.6793(3) 0.6153(3) 0.0330(9) Uani 1 1 d . . .
C68 C 0.7334(3) 0.7623(3) 0.6141(3) 0.0377(10) Uani 1 1 d . . .
C69 C 0.7005(3) 0.7518(3) 0.5352(3) 0.0363(10) Uani 1 1 d . . .
C70 C 0.6232(3) 0.6635(3) 0.4875(3) 0.0357(10) Uani 1 1 d . . .
C71 C 0.7072(3) 0.6079(4) 0.8350(4) 0.0519(13) Uani 1 1 d . . .
H71A H 0.7091 0.6691 0.8751 0.078 Uiso 1 1 calc R . .
H71B H 0.7641 0.6158 0.8207 0.078 Uiso 1 1 calc R . .
H71C H 0.6962 0.5704 0.8629 0.078 Uiso 1 1 calc R . .
C72 C 0.8131(3) 0.8470(3) 0.6829(3) 0.0485(12) Uani 1 1 d . . .
H72A H 0.8263 0.8967 0.6692 0.073 Uiso 1 1 calc R . .
H72B H 0.8641 0.8315 0.6842 0.073 Uiso 1 1 calc R . .
H72C H 0.8009 0.8682 0.7402 0.073 Uiso 1 1 calc R . .
C73 C 0.5351(3) 0.4295(4) 0.7781(3) 0.0469(5) Uiso 1 1 d D . .
H73A H 0.4946 0.3633 0.7367 0.056 Uiso 1 1 calc R G 1
H73B H 0.5892 0.4314 0.8074 0.056 Uiso 1 1 calc R G 1
C74 C 0.4911(4) 0.4719(4) 0.8454(4) 0.0653(6) Uiso 0.50 1 d PD H 1
H74A H 0.5258 0.5403 0.8796 0.078 Uiso 0.50 1 calc PR H 1
H74B H 0.4903 0.4484 0.8862 0.078 Uiso 0.50 1 calc PR H 1
C75 C 0.3973(6) 0.4497(10) 0.8045(7) 0.0730(8) Uiso 0.50 1 d PD H 1
H75A H 0.3992 0.4758 0.7658 0.088 Uiso 0.50 1 calc PR H 1
H75B H 0.3645 0.3811 0.7673 0.088 Uiso 0.50 1 calc PR H 1
C76 C 0.3468(6) 0.4854(10) 0.8676(8) 0.0769(10) Uiso 0.50 1 d PD H 1
H76A H 0.3824 0.5529 0.9088 0.092 Uiso 0.50 1 calc PR H 1
H76B H 0.3393 0.4542 0.9023 0.092 Uiso 0.50 1 calc PR H 1
C77 C 0.2557(7) 0.4708(11) 0.8255(8) 0.0834(10) Uiso 0.50 1 d PD H 1
H77A H 0.2143 0.4042 0.7970 0.100 Uiso 0.50 1 calc PR H 1
H77B H 0.2600 0.4880 0.7799 0.100 Uiso 0.50 1 calc PR H 1
C78 C 0.2197(10) 0.5316(12) 0.8963(10) 0.0936(12) Uiso 0.50 1 d PD H 1
H78A H 0.2500 0.5478 0.9543 0.140 Uiso 0.50 1 calc PR H 1
H78B H 0.1558 0.4966 0.8840 0.140 Uiso 0.50 1 calc PR H 1
H78C H 0.2306 0.5888 0.8950 0.140 Uiso 0.50 1 calc PR H 1
C74' C 0.4911(4) 0.4719(4) 0.8454(4) 0.0653(6) Uiso 0.50 1 d PD H 2
H74C H 0.4381 0.4699 0.8139 0.078 Uiso 0.50 1 calc PR H 2
H74D H 0.5321 0.5385 0.8836 0.078 Uiso 0.50 1 calc PR H 2
C75' C 0.4614(7) 0.4365(7) 0.9046(6) 0.0730(8) Uiso 0.50 1 d PD H 2
H75C H 0.4504 0.4848 0.9537 0.088 Uiso 0.50 1 calc PR H 2
H75D H 0.5104 0.4280 0.9297 0.088 Uiso 0.50 1 calc PR H 2
C76' C 0.3792(8) 0.3464(8) 0.8624(8) 0.0769(10) Uiso 0.50 1 d PD H 2
H76C H 0.3917 0.2963 0.8173 0.092 Uiso 0.50 1 calc PR H 2
H76D H 0.3313 0.3526 0.8327 0.092 Uiso 0.50 1 calc PR H 2
C77' C 0.3462(8) 0.3174(8) 0.9289(8) 0.0834(10) Uiso 0.50 1 d PD H 2
H77C H 0.3929 0.3102 0.9593 0.100 Uiso 0.50 1 calc PR H 2
H77D H 0.3305 0.3650 0.9732 0.100 Uiso 0.50 1 calc PR H 2
C78' C 0.2641(9) 0.2241(9) 0.8746(10) 0.0936(12) Uiso 0.50 1 d PD H 2
H78D H 0.2327 0.2226 0.8249 0.140 Uiso 0.50 1 calc PR H 2
H78E H 0.2247 0.2172 0.9114 0.140 Uiso 0.50 1 calc PR H 2
H78F H 0.2827 0.1729 0.8528 0.140 Uiso 0.50 1 calc PR H 2
C79 C 0.7352(3) 0.8184(4) 0.5041(3) 0.0469(5) Uiso 1 1 d . . .
H79A H 0.7584 0.8826 0.5550 0.056 Uiso 1 1 calc R . .
H79B H 0.6850 0.8101 0.4631 0.056 Uiso 1 1 calc R . .
C80 C 0.8069(4) 0.8086(5) 0.4590(4) 0.0653(6) Uiso 1 1 d . . .
H80A H 0.7844 0.7447 0.4077 0.078 Uiso 1 1 calc R . .
H80B H 0.8581 0.8181 0.4997 0.078 Uiso 1 1 calc R . .
C81 C 0.8374(5) 0.8791(5) 0.4289(5) 0.0730(8) Uiso 1 1 d . . .
H81A H 0.8594 0.9428 0.4804 0.088 Uiso 1 1 calc R . .
H81B H 0.7860 0.8694 0.3884 0.088 Uiso 1 1 calc R . .
C82 C 0.9110(5) 0.8714(5) 0.3827(5) 0.0769(10) Uiso 1 1 d . . .
H82A H 0.8890 0.8084 0.3302 0.092 Uiso 1 1 calc R . .
H82B H 0.9624 0.8803 0.4226 0.092 Uiso 1 1 calc R . .
C83 C 0.9411(5) 0.9459(6) 0.3550(5) 0.0834(10) Uiso 1 1 d . . .
H83A H 0.8887 0.9408 0.3196 0.100 Uiso 1 1 calc R . .
H83B H 0.9682 1.0089 0.4080 0.100 Uiso 1 1 calc R . .
C84 C 1.0086(6) 0.9325(6) 0.3014(6) 0.0936(12) Uiso 1 1 d . . .
H84A H 1.0620 0.9414 0.3377 0.140 Uiso 1 1 calc R . .
H84B H 1.0243 0.9781 0.2824 0.140 Uiso 1 1 calc R . .
H84C H 0.9824 0.8694 0.2499 0.140 Uiso 1 1 calc R . .
C85 C 0.7550(2) 0.7356(3) 0.7671(3) 0.0353(9) Uani 1 1 d . . .
C86 C 0.8428(3) 0.7478(3) 0.7800(3) 0.0432(11) Uani 1 1 d . . .
H86 H 0.8601 0.7071 0.7347 0.052 Uiso 1 1 calc R . .
C87 C 0.9054(3) 0.8186(4) 0.8583(3) 0.0490(13) Uani 1 1 d . . .
H87 H 0.9653 0.8265 0.8663 0.059 Uiso 1 1 calc R . .
C88 C 0.8812(3) 0.8774(3) 0.9246(3) 0.0467(12) Uani 1 1 d . . .
H88 H 0.9239 0.9247 0.9790 0.056 Uiso 1 1 calc R . .
C89 C 0.7938(3) 0.8675(3) 0.9120(3) 0.0466(12) Uani 1 1 d . . .
H89 H 0.7772 0.9094 0.9570 0.056 Uiso 1 1 calc R . .
C90 C 0.7309(3) 0.7962(3) 0.8331(3) 0.0402(10) Uani 1 1 d . . .
H90 H 0.6712 0.7891 0.8245 0.048 Uiso 1 1 calc R . .
C91 C 0.5488(2) 0.3469(3) 0.3777(3) 0.0320(9) Uani 1 1 d . . .
C92 C 0.6117(2) 0.2986(3) 0.3585(3) 0.0295(8) Uani 1 1 d . . .
C93 C 0.5860(3) 0.2188(3) 0.2780(3) 0.0350(9) Uani 1 1 d . . .
H93 H 0.5305 0.1949 0.2379 0.042 Uiso 1 1 calc R . .
C94 C 0.6407(3) 0.1740(3) 0.2558(3) 0.0348(9) Uani 1 1 d . . .
H94 H 0.6206 0.1176 0.2010 0.042 Uiso 1 1 calc R . .
C95 C 0.7445(3) 0.2811(3) 0.3867(3) 0.0398(11) Uani 1 1 d . . .
H95 H 0.7995 0.3025 0.4262 0.048 Uiso 1 1 calc R . .
C96 C 0.6917(3) 0.3293(3) 0.4137(3) 0.0403(11) Uani 1 1 d . . .
H96 H 0.7113 0.3834 0.4703 0.048 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 '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
N4 Rh1 N2 179.49(12) . . ?
N4 Rh1 N3 87.12(13) . . ?
N2 Rh1 N3 92.62(13) . . ?
N4 Rh1 N1 93.08(13) . . ?
N2 Rh1 N1 87.18(13) . . ?
N3 Rh1 N1 179.74(15) . . ?
N4 Rh1 N7 90.61(12) . . ?
N2 Rh1 N7 89.81(12) . . ?
N3 Rh1 N7 88.16(12) . . ?
N1 Rh1 N7 91.68(12) . . ?
N4 Rh1 I1 87.79(8) . . ?
N2 Rh1 I1 91.78(9) . . ?
N3 Rh1 I1 91.69(9) . . ?
N1 Rh1 I1 88.48(9) . . ?
N7 Rh1 I1 178.40(9) . . ?
N5 Sn1 N5 180.000(1) 2_666 . ?
N5 Sn1 N6 87.77(14) 2_666 2_666 ?
N5 Sn1 N6 92.23(14) . 2_666 ?
N5 Sn1 N6 92.23(14) 2_666 . ?
N5 Sn1 N6 87.77(14) . . ?
N6 Sn1 N6 180.00(17) 2_666 . ?
N5 Sn1 O2 84.37(12) 2_666 2_666 ?
N5 Sn1 O2 95.63(12) . 2_666 ?
N6 Sn1 O2 88.22(12) 2_666 2_666 ?
N6 Sn1 O2 91.78(12) . 2_666 ?
N5 Sn1 O2 95.63(12) 2_666 . ?
N5 Sn1 O2 84.37(12) . . ?
N6 Sn1 O2 91.78(12) 2_666 . ?
N6 Sn1 O2 88.22(12) . . ?
O2 Sn1 O2 180.000(1) 2_666 . ?
C2 N1 C5 107.1(3) . . ?
C2 N1 Rh1 123.0(3) . . ?
C5 N1 Rh1 129.6(3) . . ?
C10 N2 C7 106.8(3) . . ?
C10 N2 Rh1 123.9(3) . . ?
C7 N2 Rh1 129.3(3) . . ?
C12 N3 C15 107.3(3) . . ?
C12 N3 Rh1 123.3(3) . . ?
C15 N3 Rh1 129.4(3) . . ?
C20 N4 C17 105.9(3) . . ?
C20 N4 Rh1 123.8(2) . . ?
C17 N4 Rh1 130.1(3) . . ?
C62 N5 C65 108.0(4) . . ?
C62 N5 Sn1 123.7(3) . . ?
C65 N5 Sn1 128.3(3) . . ?
C70 N6 C67 109.3(3) . . ?
C70 N6 Sn1 122.2(3) . . ?
C67 N6 Sn1 127.5(3) . . ?
C94 N7 C95 117.2(3) . . ?
C94 N7 Rh1 118.8(2) . . ?
C95 N7 Rh1 123.9(3) . . ?
C91 O2 Sn1 123.4(2) . . ?
C2 C1 C20 128.2(4) . . ?
C2 C1 H1 115.9 . . ?
C20 C1 H1 115.9 . . ?
N1 C2 C1 126.4(4) . . ?
N1 C2 C3 110.1(4) . . ?
C1 C2 C3 123.5(4) . . ?
C4 C3 C2 106.9(4) . . ?
C4 C3 C25 128.5(4) . . ?
C2 C3 C25 124.6(4) . . ?
C3 C4 C5 106.9(3) . . ?
C3 C4 C21 123.3(4) . . ?
C5 C4 C21 129.9(4) . . ?
N1 C5 C6 123.9(4) . . ?
N1 C5 C4 109.1(4) . . ?
C6 C5 C4 127.0(3) . . ?
C7 C6 C5 125.5(3) . . ?
C7 C6 C49 117.2(4) . . ?
C5 C6 C49 117.3(4) . . ?
C6 C7 N2 124.3(4) . . ?
C6 C7 C8 127.1(4) . . ?
N2 C7 C8 108.6(4) . . ?
C9 C8 C7 106.2(4) . . ?
C9 C8 C22 123.7(4) . . ?
C7 C8 C22 130.1(4) . . ?
C8 C9 C10 107.6(4) . . ?
C8 C9 C31 127.8(4) . . ?
C10 C9 C31 124.7(4) . . ?
N2 C10 C11 125.7(4) . . ?
N2 C10 C9 110.9(4) . . ?
C11 C10 C9 123.5(4) . . ?
C12 C11 C10 127.0(4) . . ?
C12 C11 H11 116.5 . . ?
C10 C11 H11 116.5 . . ?
N3 C12 C11 127.4(4) . . ?
N3 C12 C13 110.4(4) . . ?
C11 C12 C13 122.3(4) . . ?
C14 C13 C12 107.1(4) . . ?
C14 C13 C37 128.7(4) . . ?
C12 C13 C37 124.2(4) . . ?
C13 C14 C15 106.8(4) . . ?
C13 C14 C23 123.9(4) . . ?
C15 C14 C23 129.2(4) . . ?
N3 C15 C16 124.5(4) . . ?
N3 C15 C14 108.5(4) . . ?
C16 C15 C14 127.0(4) . . ?
C15 C16 C17 125.3(3) . . ?
C15 C16 C55 117.2(4) . . ?
C17 C16 C55 117.5(4) . . ?
N4 C17 C16 123.4(4) . . ?
N4 C17 C18 110.0(3) . . ?
C16 C17 C18 126.6(3) . . ?
C19 C18 C17 106.7(3) . . ?
C19 C18 C24 123.1(4) . . ?
C17 C18 C24 130.2(4) . . ?
C18 C19 C20 106.3(4) . . ?
C18 C19 C43 126.9(4) . . ?
C20 C19 C43 126.8(4) . . ?
N4 C20 C1 125.4(4) . . ?
N4 C20 C19 110.9(3) . . ?
C1 C20 C19 123.6(4) . . ?
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 . . ?
C26 C25 C3 114.1(4) . . ?
C26 C25 H25A 108.8 . . ?
C3 C25 H25A 108.7 . . ?
C26 C25 H25B 108.7 . . ?
C3 C25 H25B 108.7 . . ?
H25A C25 H25B 107.6 . . ?
C27 C26 C25 116.0(6) . . ?
C27 C26 H26A 108.3 . . ?
C25 C26 H26A 108.3 . . ?
C27 C26 H26B 108.2 . . ?
C25 C26 H26B 108.3 . . ?
H26A C26 H26B 107.4 . . ?
C26 C27 C28 121.5(7) . . ?
C26 C27 H27A 107.0 . . ?
C28 C27 H27A 107.0 . . ?
C26 C27 H27B 106.9 . . ?
C28 C27 H27B 107.0 . . ?
H27A C27 H27B 106.7 . . ?
C27 C28 C29 110.9(8) . . ?
C27 C28 H28A 109.5 . . ?
C29 C28 H28A 109.3 . . ?
C27 C28 H28B 109.5 . . ?
C29 C28 H28B 109.6 . . ?
H28A C28 H28B 108.1 . . ?
C30 C29 C28 117.2(9) . . ?
C30 C29 H29A 108.9 . . ?
C28 C29 H29A 108.1 . . ?
C30 C29 H29B 107.2 . . ?
C28 C29 H29B 107.8 . . ?
H29A C29 H29B 107.2 . . ?
C28' C27' H27C 108.4 . . ?
C28' C27' H27D 108.5 . . ?
H27C C27' H27D 107.5 . . ?
C29' C28' C27' 114.3(8) . . ?
C29' C28' H28C 108.6 . . ?
C27' C28' H28C 108.6 . . ?
C29' C28' H28D 108.8 . . ?
C27' C28' H28D 108.7 . . ?
H28C C28' H28D 107.6 . . ?
C28' C29' C30' 113.4(8) . . ?
C28' C29' H29C 109.0 . . ?
C30' C29' H29C 108.9 . . ?
C28' C29' H29D 108.8 . . ?
C30' C29' H29D 108.9 . . ?
H29C C29' H29D 107.7 . . ?
C29' C30' H30D 109.4 . . ?
C29' C30' H30E 109.5 . . ?
H30D C30' H30E 109.5 . . ?
C29' C30' H30F 109.5 . . ?
H30D C30' H30F 109.5 . . ?
H30E C30' H30F 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 107.7 . . ?
C33 C32 C31 111.6(6) . . ?
C33 C32 H32A 109.3 . . ?
C31 C32 H32A 109.3 . . ?
C33 C32 H32B 109.3 . . ?
C31 C32 H32B 109.3 . . ?
H32A C32 H32B 108.0 . . ?
C32 C33 C34 118.4(8) . . ?
C32 C33 H33A 107.7 . . ?
C34 C33 H33A 107.7 . . ?
C32 C33 H33B 107.7 . . ?
C34 C33 H33B 107.7 . . ?
H33A C33 H33B 107.1 . . ?
C33 C34 C35 109.5(7) . . ?
C33 C34 H34A 109.8 . . ?
C35 C34 H34A 109.7 . . ?
C33 C34 H34B 109.8 . . ?
C35 C34 H34B 109.8 . . ?
H34A C34 H34B 108.2 . . ?
C36 C35 C34 115.6(9) . . ?
C36 C35 H35A 108.5 . . ?
C34 C35 H35A 108.4 . . ?
C36 C35 H35B 108.3 . . ?
C34 C35 H35B 108.4 . . ?
H35A C35 H35B 107.4 . . ?
C34' C33' H33C 108.4 . . ?
C34' C33' H33D 108.6 . . ?
H33C C33' H33D 107.5 . . ?
C35' C34' C33' 115.2(8) . . ?
C35' C34' H34C 108.8 . . ?
C33' C34' H34C 108.5 . . ?
C35' C34' H34D 108.3 . . ?
C33' C34' H34D 108.3 . . ?
H34C C34' H34D 107.5 . . ?
C34' C35' C36' 114.1(9) . . ?
C34' C35' H35C 108.5 . . ?
C36' C35' H35C 109.2 . . ?
C34' C35' H35D 109.0 . . ?
C36' C35' H35D 108.2 . . ?
H35C C35' H35D 107.6 . . ?
C35' C36' H36D 109.2 . . ?
C35' C36' H36E 109.2 . . ?
H36D C36' H36E 109.5 . . ?
C35' C36' H36F 110.0 . . ?
H36D C36' H36F 109.5 . . ?
H36E C36' H36F 109.5 . . ?
C13 C37 C38 112.3(4) . . ?
C13 C37 H37A 109.1 . . ?
C38 C37 H37A 109.1 . . ?
C13 C37 H37B 109.1 . . ?
C38 C37 H37B 109.2 . . ?
H37A C37 H37B 107.9 . . ?
C37 C38 C39 113.2(5) . . ?
C37 C38 H38A 108.9 . . ?
C39 C38 H38A 108.9 . . ?
C37 C38 H38B 109.0 . . ?
C39 C38 H38B 109.0 . . ?
H38A C38 H38B 107.8 . . ?
C38 C39 C40 107.2(5) . . ?
C38 C39 H39A 110.3 . . ?
C40 C39 H39A 110.3 . . ?
C38 C39 H39B 110.3 . . ?
C40 C39 H39B 110.3 . . ?
H39A C39 H39B 108.5 . . ?
C41 C40 C39 109.4(7) . . ?
C41 C40 H40A 109.8 . . ?
C39 C40 H40A 109.8 . . ?
C41 C40 H40B 109.8 . . ?
C39 C40 H40B 109.8 . . ?
H40A C40 H40B 108.3 . . ?
C42 C41 C40 112.7(8) . . ?
C42 C41 H41A 109.1 . . ?
C40 C41 H41A 109.1 . . ?
C42 C41 H41B 109.0 . . ?
C40 C41 H41B 109.0 . . ?
H41A C41 H41B 107.8 . . ?
C41' C40' H40C 108.5 . . ?
C41' C40' H40D 108.5 . . ?
H40C C40' H40D 107.5 . . ?
C40' C41' C42' 112.5(8) . . ?
C40' C41' H41C 109.1 . . ?
C42' C41' H41C 109.0 . . ?
C40' C41' H41D 109.1 . . ?
C42' C41' H41D 109.2 . . ?
H41C C41' H41D 107.8 . . ?
C41' C42' H42D 109.6 . . ?
C41' C42' H42E 109.5 . . ?
H42D C42' H42E 109.5 . . ?
C41' C42' H42F 109.4 . . ?
H42D C42' H42F 109.5 . . ?
H42E C42' H42F 109.5 . . ?
C19 C43 C44 112.8(4) . . ?
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 114.6(5) . . ?
C45 C44 H44A 108.6 . . ?
C43 C44 H44A 108.6 . . ?
C45 C44 H44B 108.6 . . ?
C43 C44 H44B 108.6 . . ?
H44A C44 H44B 107.6 . . ?
C44 C45 C46 113.5(6) . . ?
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 . . ?
C46 C47 C48 111.2(6) . . ?
C46 C47 H47A 109.4 . . ?
C48 C47 H47A 109.4 . . ?
C46 C47 H47B 109.4 . . ?
C48 C47 H47B 109.4 . . ?
H47A C47 H47B 108.0 . . ?
C47 C46 C45 115.0(6) . . ?
C47 C46 H46A 108.5 . . ?
C45 C46 H46A 108.5 . . ?
C47 C46 H46B 108.5 . . ?
C45 C46 H46B 108.5 . . ?
H46A C46 H46B 107.5 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.4 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C54 C49 C50 119.6(4) . . ?
C54 C49 C6 120.0(3) . . ?
C50 C49 C6 120.4(4) . . ?
C51 C50 C49 119.5(4) . . ?
C51 C50 H50 120.3 . . ?
C49 C50 H50 120.3 . . ?
C51 C52 C53 120.4(4) . . ?
C51 C52 H52 119.8 . . ?
C53 C52 H52 119.8 . . ?
C52 C51 C50 120.5(4) . . ?
C52 C51 H51 119.8 . . ?
C50 C51 H51 119.7 . . ?
C52 C53 C54 119.8(4) . . ?
C52 C53 H53 120.1 . . ?
C54 C53 H53 120.1 . . ?
C49 C54 C53 120.2(4) . . ?
C49 C54 H54 119.9 . . ?
C53 C54 H54 119.9 . . ?
C56 C55 C60 118.9(4) . . ?
C56 C55 C16 122.3(4) . . ?
C60 C55 C16 118.7(4) . . ?
C55 C56 C57 121.3(5) . . ?
C55 C56 H56 119.4 . . ?
C57 C56 H56 119.4 . . ?
C58 C57 C56 118.6(5) . . ?
C58 C57 H57 120.7 . . ?
C56 C57 H57 120.7 . . ?
C57 C58 C59 121.6(5) . . ?
C57 C58 H58 119.2 . . ?
C59 C58 H58 119.2 . . ?
C58 C59 C60 119.2(5) . . ?
C58 C59 H59 120.4 . . ?
C60 C59 H59 120.4 . . ?
C59 C60 C55 120.4(5) . . ?
C59 C60 H60 119.8 . . ?
C55 C60 H60 119.8 . . ?
C70 C61 C62 129.5(5) 2_666 . ?
C70 C61 H61 115.3 2_666 . ?
C62 C61 H61 115.2 . . ?
N5 C62 C61 125.2(4) . . ?
N5 C62 C63 109.8(4) . . ?
C61 C62 C63 124.9(5) . . ?
C64 C63 C62 106.6(4) . . ?
C64 C63 C73 127.8(5) . . ?
C62 C63 C73 125.5(4) . . ?
C63 C64 C65 107.7(4) . . ?
C63 C64 C71 122.7(5) . . ?
C65 C64 C71 129.5(4) . . ?
N5 C65 C66 124.4(4) . . ?
N5 C65 C64 107.8(4) . . ?
C66 C65 C64 127.8(4) . . ?
C67 C66 C65 126.6(4) . . ?
C67 C66 C85 116.9(4) . . ?
C65 C66 C85 116.1(4) . . ?
N6 C67 C66 125.0(4) . . ?
N6 C67 C68 106.9(4) . . ?
C66 C67 C68 128.0(4) . . ?
C69 C68 C67 107.9(4) . . ?
C69 C68 C72 122.5(4) . . ?
C67 C68 C72 129.6(5) . . ?
C68 C69 C70 106.8(4) . . ?
C68 C69 C79 127.6(4) . . ?
C70 C69 C79 125.7(4) . . ?
N6 C70 C61 126.7(4) . 2_666 ?
N6 C70 C69 109.0(4) . . ?
C61 C70 C69 124.3(4) 2_666 . ?
C64 C71 H71A 109.5 . . ?
C64 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C64 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C68 C72 H72A 109.5 . . ?
C68 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C68 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C74 C73 C63 113.0(4) . . ?
C74 C73 H73A 109.0 . . ?
C63 C73 H73A 109.0 . . ?
C74 C73 H73B 109.0 . . ?
C63 C73 H73B 109.0 . . ?
H73A C73 H73B 107.8 . . ?
C73 C74 C75 111.9(5) . . ?
C73 C74 H74A 109.2 . . ?
C75 C74 H74A 109.2 . . ?
C73 C74 H74B 109.2 . . ?
C75 C74 H74B 109.3 . . ?
H74A C74 H74B 107.9 . . ?
C76 C75 C74 115.4(8) . . ?
C76 C75 H75A 108.4 . . ?
C74 C75 H75A 108.5 . . ?
C76 C75 H75B 108.4 . . ?
C74 C75 H75B 108.4 . . ?
H75A C75 H75B 107.5 . . ?
C75 C76 C77 114.7(8) . . ?
C75 C76 H76A 108.6 . . ?
C77 C76 H76A 108.5 . . ?
C75 C76 H76B 108.6 . . ?
C77 C76 H76B 108.7 . . ?
H76A C76 H76B 107.6 . . ?
C76 C77 C78 110.0(8) . . ?
C76 C77 H77A 109.6 . . ?
C78 C77 H77A 109.6 . . ?
C76 C77 H77B 109.7 . . ?
C78 C77 H77B 109.7 . . ?
H77A C77 H77B 108.2 . . ?
C76' C75' H75C 108.4 . . ?
C76' C75' H75D 108.4 . . ?
H75C C75' H75D 107.5 . . ?
C75' C76' C77' 113.3(8) . . ?
C75' C76' H76C 108.9 . . ?
C77' C76' H76C 108.9 . . ?
C75' C76' H76D 108.9 . . ?
C77' C76' H76D 108.9 . . ?
H76C C76' H76D 107.7 . . ?
C78' C77' C76' 106.0(7) . . ?
C78' C77' H77C 110.5 . . ?
C76' C77' H77C 110.5 . . ?
C78' C77' H77D 110.5 . . ?
C76' C77' H77D 110.6 . . ?
H77C C77' H77D 108.7 . . ?
C77' C78' H78D 109.5 . . ?
C77' C78' H78E 109.5 . . ?
H78D C78' H78E 109.5 . . ?
C77' C78' H78F 109.5 . . ?
H78D C78' H78F 109.5 . . ?
H78E C78' H78F 109.5 . . ?
C69 C79 C80 115.4(4) . . ?
C69 C79 H79A 108.4 . . ?
C80 C79 H79A 108.4 . . ?
C69 C79 H79B 108.4 . . ?
C80 C79 H79B 108.4 . . ?
H79A C79 H79B 107.5 . . ?
C79 C80 C81 111.4(5) . . ?
C79 C80 H80A 109.3 . . ?
C81 C80 H80A 109.3 . . ?
C79 C80 H80B 109.3 . . ?
C81 C80 H80B 109.3 . . ?
H80A C80 H80B 108.0 . . ?
C80 C81 C82 113.0(6) . . ?
C80 C81 H81A 109.0 . . ?
C82 C81 H81A 109.0 . . ?
C80 C81 H81B 109.0 . . ?
C82 C81 H81B 109.0 . . ?
H81A C81 H81B 107.8 . . ?
C81 C82 C83 111.0(6) . . ?
C81 C82 H82A 109.4 . . ?
C83 C82 H82A 109.4 . . ?
C81 C82 H82B 109.5 . . ?
C83 C82 H82B 109.5 . . ?
H82A C82 H82B 108.0 . . ?
C84 C83 C82 110.9(7) . . ?
C84 C83 H83A 109.4 . . ?
C82 C83 H83A 109.5 . . ?
C84 C83 H83B 109.5 . . ?
C82 C83 H83B 109.4 . . ?
H83A C83 H83B 108.0 . . ?
C83 C84 H84A 109.5 . . ?
C83 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
C83 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C90 C85 C86 119.2(4) . . ?
C90 C85 C66 118.0(3) . . ?
C86 C85 C66 122.8(4) . . ?
C87 C86 C85 120.7(4) . . ?
C87 C86 H86 119.7 . . ?
C85 C86 H86 119.7 . . ?
C88 C87 C86 120.2(4) . . ?
C88 C87 H87 119.9 . . ?
C86 C87 H87 119.9 . . ?
C87 C88 C89 119.9(4) . . ?
C87 C88 H88 120.1 . . ?
C89 C88 H88 120.1 . . ?
C90 C89 C88 119.8(4) . . ?
C90 C89 H89 120.1 . . ?
C88 C89 H89 120.1 . . ?
C85 C90 C89 120.2(4) . . ?
C85 C90 H90 119.9 . . ?
C89 C90 H90 119.9 . . ?
O1 C91 O2 126.7(4) . . ?
O1 C91 C92 118.1(4) . . ?
O2 C91 C92 115.2(3) . . ?
C96 C92 C93 117.7(4) . . ?
C96 C92 C91 125.4(4) . . ?
C93 C92 C91 116.9(3) . . ?
C94 C93 C92 119.7(4) . . ?
C94 C93 H93 120.1 . . ?
C92 C93 H93 120.1 . . ?
N7 C94 C93 123.2(4) . . ?
N7 C94 H94 118.4 . . ?
C93 C94 H94 118.4 . . ?
N7 C95 C96 122.3(4) . . ?
N7 C95 H95 118.8 . . ?
C96 C95 H95 118.8 . . ?
C92 C96 C95 119.7(4) . . ?
C92 C96 H96 120.2 . . ?
C95 C96 H96 120.2 . . ?
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 2.6258(4) . ?
Rh1 N4 2.035(3) . ?
Rh1 N2 2.037(4) . ?
Rh1 N3 2.041(3) . ?
Rh1 N1 2.044(3) . ?
Rh1 N7 2.118(3) . ?
Sn1 N5 2.084(4) 2_666 ?
Sn1 N5 2.084(4) . ?
Sn1 N6 2.099(3) 2_666 ?
Sn1 N6 2.099(3) . ?
Sn1 O2 2.117(3) 2_666 ?
Sn1 O2 2.117(3) . ?
N1 C2 1.362(6) . ?
N1 C5 1.373(5) . ?
N2 C10 1.363(6) . ?
N2 C7 1.387(5) . ?
N3 C12 1.350(6) . ?
N3 C15 1.379(5) . ?
N4 C20 1.364(5) . ?
N4 C17 1.373(4) . ?
N5 C62 1.375(6) . ?
N5 C65 1.393(5) . ?
N6 C70 1.364(6) . ?
N6 C67 1.384(5) . ?
N7 C94 1.330(5) . ?
N7 C95 1.336(5) . ?
O1 C91 1.195(5) . ?
O2 C91 1.294(5) . ?
C1 C2 1.374(6) . ?
C1 C20 1.389(6) . ?
C1 H1 0.9500 . ?
C2 C3 1.446(5) . ?
C3 C4 1.356(6) . ?
C3 C25 1.506(6) . ?
C4 C5 1.460(6) . ?
C4 C21 1.502(5) . ?
C5 C6 1.407(6) . ?
C6 C7 1.387(6) . ?
C6 C49 1.498(5) . ?
C7 C8 1.476(6) . ?
C8 C9 1.364(6) . ?
C8 C22 1.500(6) . ?
C9 C10 1.427(6) . ?
C9 C31 1.505(7) . ?
C10 C11 1.397(6) . ?
C11 C12 1.371(6) . ?
C11 H11 0.9500 . ?
C12 C13 1.456(5) . ?
C13 C14 1.344(7) . ?
C13 C37 1.495(6) . ?
C14 C15 1.478(6) . ?
C14 C23 1.511(6) . ?
C15 C16 1.388(6) . ?
C16 C17 1.418(6) . ?
C16 C55 1.498(5) . ?
C17 C18 1.445(6) . ?
C18 C19 1.364(6) . ?
C18 C24 1.506(5) . ?
C19 C20 1.437(6) . ?
C19 C43 1.493(7) . ?
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 1.504(6) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.488(7) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.500(9) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.534(9) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.480(9) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9801 . ?
C30 H30B 0.9801 . ?
C30 H30C 0.9801 . ?
C27' C28' 1.519(8) . ?
C27' H27C 0.9900 . ?
C27' H27D 0.9900 . ?
C28' C29' 1.491(9) . ?
C28' H28C 0.9900 . ?
C28' H28D 0.9900 . ?
C29' C30' 1.523(9) . ?
C29' H29C 0.9900 . ?
C29' H29D 0.9900 . ?
C30' H30D 0.9800 . ?
C30' H30E 0.9800 . ?
C30' H30F 0.9800 . ?
C31 C32 1.507(6) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.494(7) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.497(9) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.540(9) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.475(9) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C33' C34' 1.523(8) . ?
C33' H33C 0.9900 . ?
C33' H33D 0.9900 . ?
C34' C35' 1.490(9) . ?
C34' H34C 0.9900 . ?
C34' H34D 0.9900 . ?
C35' C36' 1.541(9) . ?
C35' H35C 0.9900 . ?
C35' H35D 0.9900 . ?
C36' H36D 0.9800 . ?
C36' H36E 0.9800 . ?
C36' H36F 0.9800 . ?
C37 C38 1.527(6) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.534(6) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40 1.540(8) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 C41 1.523(9) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.507(9) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C40' C41' 1.519(9) . ?
C40' H40C 0.9900 . ?
C40' H40D 0.9900 . ?
C41' C42' 1.525(9) . ?
C41' H41C 0.9900 . ?
C41' H41D 0.9900 . ?
C42' H42D 0.9800 . ?
C42' H42E 0.9800 . ?
C42' H42F 0.9800 . ?
C43 C44 1.544(8) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.476(9) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.516(10) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C47 C46 1.502(10) . ?
C47 C48 1.505(10) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C54 1.379(6) . ?
C49 C50 1.395(5) . ?
C50 C51 1.388(7) . ?
C50 H50 0.9500 . ?
C52 C51 1.366(7) . ?
C52 C53 1.377(7) . ?
C52 H52 0.9500 . ?
C51 H51 0.9500 . ?
C53 C54 1.390(6) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C55 C56 1.381(6) . ?
C55 C60 1.387(6) . ?
C56 C57 1.384(7) . ?
C56 H56 0.9500 . ?
C57 C58 1.369(8) . ?
C57 H57 0.9500 . ?
C58 C59 1.380(8) . ?
C58 H58 0.9500 . ?
C59 C60 1.381(6) . ?
C59 H59 0.9500 . ?
C60 H60 0.9500 . ?
C61 C70 1.383(7) 2_666 ?
C61 C62 1.385(6) . ?
C61 H61 0.9500 . ?
C62 C63 1.439(7) . ?
C63 C64 1.384(6) . ?
C63 C73 1.510(7) . ?
C64 C65 1.454(7) . ?
C64 C71 1.506(7) . ?
C65 C66 1.406(6) . ?
C66 C67 1.403(7) . ?
C66 C85 1.501(6) . ?
C67 C68 1.464(6) . ?
C68 C69 1.375(7) . ?
C68 C72 1.502(6) . ?
C69 C70 1.447(5) . ?
C69 C79 1.491(7) . ?
C70 C61 1.383(7) 2_666 ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 C74 1.492(6) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C74 C75 1.508(8) . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C75 C76 1.493(8) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C76 C77 1.522(9) . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C77 C78 1.560(9) . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C75' C76' 1.506(9) . ?
C75' H75C 0.9900 . ?
C75' H75D 0.9900 . ?
C76' C77' 1.560(9) . ?
C76' H76C 0.9900 . ?
C76' H76D 0.9900 . ?
C77' C78' 1.536(9) . ?
C77' H77C 0.9900 . ?
C77' H77D 0.9900 . ?
C78' H78D 0.9800 . ?
C78' H78E 0.9800 . ?
C78' H78F 0.9800 . ?
C79 C80 1.504(8) . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C80 C81 1.528(9) . ?
C80 H80A 0.9900 . ?
C80 H80B 0.9900 . ?
C81 C82 1.537(9) . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C82 C83 1.558(10) . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C83 C84 1.540(10) . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
C85 C90 1.384(5) . ?
C85 C86 1.389(5) . ?
C86 C87 1.383(6) . ?
C86 H86 0.9500 . ?
C87 C88 1.372(7) . ?
C87 H87 0.9500 . ?
C88 C89 1.394(6) . ?
C88 H88 0.9500 . ?
C89 C90 1.393(6) . ?
C89 H89 0.9500 . ?
C90 H90 0.9500 . ?
C91 C92 1.531(5) . ?
C92 C96 1.365(6) . ?
C92 C93 1.378(5) . ?
C93 C94 1.370(5) . ?
C93 H93 0.9500 . ?
C94 H94 0.9500 . ?
C95 C96 1.391(5) . ?
C95 H95 0.9500 . ?
C96 H96 0.9500 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N4 Rh1 N1 C2 -1.7(3) . . . . ?
N2 Rh1 N1 C2 177.9(3) . . . . ?
N3 Rh1 N1 C2 -143(44) . . . . ?
N7 Rh1 N1 C2 -92.4(3) . . . . ?
I1 Rh1 N1 C2 86.0(3) . . . . ?
N4 Rh1 N1 C5 -174.6(3) . . . . ?
N2 Rh1 N1 C5 5.0(3) . . . . ?
N3 Rh1 N1 C5 44(35) . . . . ?
N7 Rh1 N1 C5 94.7(3) . . . . ?
I1 Rh1 N1 C5 -86.9(3) . . . . ?
N4 Rh1 N2 C10 -62(16) . . . . ?
N3 Rh1 N2 C10 -2.5(3) . . . . ?
N1 Rh1 N2 C10 177.3(3) . . . . ?
N7 Rh1 N2 C10 85.6(3) . . . . ?
I1 Rh1 N2 C10 -94.3(3) . . . . ?
N4 Rh1 N2 C7 117(15) . . . . ?
N3 Rh1 N2 C7 175.7(3) . . . . ?
N1 Rh1 N2 C7 -4.5(3) . . . . ?
N7 Rh1 N2 C7 -96.2(3) . . . . ?
I1 Rh1 N2 C7 83.9(3) . . . . ?
N4 Rh1 N3 C12 -178.2(3) . . . . ?
N2 Rh1 N3 C12 2.2(3) . . . . ?
N1 Rh1 N3 C12 -36(35) . . . . ?
N7 Rh1 N3 C12 -87.5(3) . . . . ?
I1 Rh1 N3 C12 94.1(3) . . . . ?
N4 Rh1 N3 C15 3.9(3) . . . . ?
N2 Rh1 N3 C15 -175.6(3) . . . . ?
N1 Rh1 N3 C15 146(44) . . . . ?
N7 Rh1 N3 C15 94.6(3) . . . . ?
I1 Rh1 N3 C15 -83.8(3) . . . . ?
N2 Rh1 N4 C20 -121(15) . . . . ?
N3 Rh1 N4 C20 -179.7(3) . . . . ?
N1 Rh1 N4 C20 0.5(3) . . . . ?
N7 Rh1 N4 C20 92.2(3) . . . . ?
I1 Rh1 N4 C20 -87.9(3) . . . . ?
N2 Rh1 N4 C17 55(16) . . . . ?
N3 Rh1 N4 C17 -4.5(3) . . . . ?
N1 Rh1 N4 C17 175.7(3) . . . . ?
N7 Rh1 N4 C17 -92.6(3) . . . . ?
I1 Rh1 N4 C17 87.3(3) . . . . ?
N5 Sn1 N5 C62 63(100) 2_666 . . . ?
N6 Sn1 N5 C62 2.8(3) 2_666 . . . ?
N6 Sn1 N5 C62 -177.2(3) . . . . ?
O2 Sn1 N5 C62 91.2(3) 2_666 . . . ?
O2 Sn1 N5 C62 -88.8(3) . . . . ?
N5 Sn1 N5 C65 -120(100) 2_666 . . . ?
N6 Sn1 N5 C65 -179.8(3) 2_666 . . . ?
N6 Sn1 N5 C65 0.2(3) . . . . ?
O2 Sn1 N5 C65 -91.4(3) 2_666 . . . ?
O2 Sn1 N5 C65 88.6(3) . . . . ?
N5 Sn1 N6 C70 6.2(3) 2_666 . . . ?
N5 Sn1 N6 C70 -173.8(3) . . . . ?
N6 Sn1 N6 C70 -1(100) 2_666 . . . ?
O2 Sn1 N6 C70 -78.2(3) 2_666 . . . ?
O2 Sn1 N6 C70 101.8(3) . . . . ?
N5 Sn1 N6 C67 174.3(3) 2_666 . . . ?
N5 Sn1 N6 C67 -5.7(3) . . . . ?
N6 Sn1 N6 C67 167(100) 2_666 . . . ?
O2 Sn1 N6 C67 89.9(3) 2_666 . . . ?
O2 Sn1 N6 C67 -90.1(3) . . . . ?
N4 Rh1 N7 C94 32.4(3) . . . . ?
N2 Rh1 N7 C94 -147.4(3) . . . . ?
N3 Rh1 N7 C94 -54.7(3) . . . . ?
N1 Rh1 N7 C94 125.5(3) . . . . ?
I1 Rh1 N7 C94 30(3) . . . . ?
N4 Rh1 N7 C95 -150.8(4) . . . . ?
N2 Rh1 N7 C95 29.5(4) . . . . ?
N3 Rh1 N7 C95 122.1(4) . . . . ?
N1 Rh1 N7 C95 -57.7(4) . . . . ?
I1 Rh1 N7 C95 -154(3) . . . . ?
N5 Sn1 O2 C91 -42.5(3) 2_666 . . . ?
N5 Sn1 O2 C91 137.5(3) . . . . ?
N6 Sn1 O2 C91 45.4(3) 2_666 . . . ?
N6 Sn1 O2 C91 -134.6(3) . . . . ?
O2 Sn1 O2 C91 118(100) 2_666 . . . ?
C5 N1 C2 C1 177.4(4) . . . . ?
Rh1 N1 C2 C1 3.1(5) . . . . ?
C5 N1 C2 C3 -0.9(4) . . . . ?
Rh1 N1 C2 C3 -175.2(2) . . . . ?
C20 C1 C2 N1 -3.0(7) . . . . ?
C20 C1 C2 C3 175.1(4) . . . . ?
N1 C2 C3 C4 0.3(4) . . . . ?
C1 C2 C3 C4 -178.1(4) . . . . ?
N1 C2 C3 C25 179.3(4) . . . . ?
C1 C2 C3 C25 0.9(6) . . . . ?
C2 C3 C4 C5 0.5(4) . . . . ?
C25 C3 C4 C5 -178.5(4) . . . . ?
C2 C3 C4 C21 179.3(4) . . . . ?
C25 C3 C4 C21 0.3(7) . . . . ?
C2 N1 C5 C6 -177.9(3) . . . . ?
Rh1 N1 C5 C6 -4.1(5) . . . . ?
C2 N1 C5 C4 1.2(4) . . . . ?
Rh1 N1 C5 C4 175.0(2) . . . . ?
C3 C4 C5 N1 -1.0(4) . . . . ?
C21 C4 C5 N1 -179.8(4) . . . . ?
C3 C4 C5 C6 178.0(4) . . . . ?
C21 C4 C5 C6 -0.8(7) . . . . ?
N1 C5 C6 C7 0.6(6) . . . . ?
C4 C5 C6 C7 -178.2(4) . . . . ?
N1 C5 C6 C49 -179.1(3) . . . . ?
C4 C5 C6 C49 2.0(6) . . . . ?
C5 C6 C7 N2 -0.1(6) . . . . ?
C49 C6 C7 N2 179.6(3) . . . . ?
C5 C6 C7 C8 -177.6(4) . . . . ?
C49 C6 C7 C8 2.1(6) . . . . ?
C10 N2 C7 C6 -178.4(4) . . . . ?
Rh1 N2 C7 C6 3.1(6) . . . . ?
C10 N2 C7 C8 -0.5(4) . . . . ?
Rh1 N2 C7 C8 -179.0(3) . . . . ?
C6 C7 C8 C9 176.7(4) . . . . ?
N2 C7 C8 C9 -1.1(4) . . . . ?
C6 C7 C8 C22 -4.0(7) . . . . ?
N2 C7 C8 C22 178.2(4) . . . . ?
C7 C8 C9 C10 2.2(5) . . . . ?
C22 C8 C9 C10 -177.1(4) . . . . ?
C7 C8 C9 C31 -177.8(4) . . . . ?
C22 C8 C9 C31 2.8(7) . . . . ?
C7 N2 C10 C11 -177.9(4) . . . . ?
Rh1 N2 C10 C11 0.6(6) . . . . ?
C7 N2 C10 C9 2.0(5) . . . . ?
Rh1 N2 C10 C9 -179.5(3) . . . . ?
C8 C9 C10 N2 -2.7(5) . . . . ?
C31 C9 C10 N2 177.3(4) . . . . ?
C8 C9 C10 C11 177.2(4) . . . . ?
C31 C9 C10 C11 -2.8(7) . . . . ?
N2 C10 C11 C12 2.7(7) . . . . ?
C9 C10 C11 C12 -177.1(4) . . . . ?
C15 N3 C12 C11 178.2(4) . . . . ?
Rh1 N3 C12 C11 -0.1(6) . . . . ?
C15 N3 C12 C13 0.3(4) . . . . ?
Rh1 N3 C12 C13 -178.0(3) . . . . ?
C10 C11 C12 N3 -3.1(7) . . . . ?
C10 C11 C12 C13 174.6(4) . . . . ?
N3 C12 C13 C14 -0.1(5) . . . . ?
C11 C12 C13 C14 -178.1(4) . . . . ?
N3 C12 C13 C37 -178.6(4) . . . . ?
C11 C12 C13 C37 3.4(7) . . . . ?
C12 C13 C14 C15 -0.2(5) . . . . ?
C37 C13 C14 C15 178.2(4) . . . . ?
C12 C13 C14 C23 -178.5(5) . . . . ?
C37 C13 C14 C23 -0.2(8) . . . . ?
C12 N3 C15 C16 -179.6(4) . . . . ?
Rh1 N3 C15 C16 -1.5(6) . . . . ?
C12 N3 C15 C14 -0.4(4) . . . . ?
Rh1 N3 C15 C14 177.7(3) . . . . ?
C13 C14 C15 N3 0.4(5) . . . . ?
C23 C14 C15 N3 178.6(5) . . . . ?
C13 C14 C15 C16 179.6(4) . . . . ?
C23 C14 C15 C16 -2.2(8) . . . . ?
N3 C15 C16 C17 -2.5(6) . . . . ?
C14 C15 C16 C17 178.4(4) . . . . ?
N3 C15 C16 C55 174.2(4) . . . . ?
C14 C15 C16 C55 -4.9(6) . . . . ?
C20 N4 C17 C16 178.4(3) . . . . ?
Rh1 N4 C17 C16 2.5(5) . . . . ?
C20 N4 C17 C18 -1.5(4) . . . . ?
Rh1 N4 C17 C18 -177.4(2) . . . . ?
C15 C16 C17 N4 2.0(6) . . . . ?
C55 C16 C17 N4 -174.7(3) . . . . ?
C15 C16 C17 C18 -178.0(4) . . . . ?
C55 C16 C17 C18 5.3(6) . . . . ?
N4 C17 C18 C19 1.1(4) . . . . ?
C16 C17 C18 C19 -178.9(4) . . . . ?
N4 C17 C18 C24 -176.9(4) . . . . ?
C16 C17 C18 C24 3.2(7) . . . . ?
C17 C18 C19 C20 -0.2(4) . . . . ?
C24 C18 C19 C20 177.9(4) . . . . ?
C17 C18 C19 C43 178.4(4) . . . . ?
C24 C18 C19 C43 -3.5(7) . . . . ?
C17 N4 C20 C1 -176.6(4) . . . . ?
Rh1 N4 C20 C1 -0.3(5) . . . . ?
C17 N4 C20 C19 1.4(4) . . . . ?
Rh1 N4 C20 C19 177.6(2) . . . . ?
C2 C1 C20 N4 1.4(7) . . . . ?
C2 C1 C20 C19 -176.3(4) . . . . ?
C18 C19 C20 N4 -0.7(5) . . . . ?
C43 C19 C20 N4 -179.3(4) . . . . ?
C18 C19 C20 C1 177.3(4) . . . . ?
C43 C19 C20 C1 -1.3(7) . . . . ?
C4 C3 C25 C26 -91.7(6) . . . . ?
C2 C3 C25 C26 89.5(6) . . . . ?
C3 C25 C26 C27 177.0(7) . . . . ?
C25 C26 C27 C28 -49.9(15) . . . . ?
C26 C27 C28 C29 176.7(11) . . . . ?
C27 C28 C29 C30 168.2(14) . . . . ?
C27' C28' C29' C30' -166.4(13) . . . . ?
C8 C9 C31 C32 91.9(6) . . . . ?
C10 C9 C31 C32 -88.1(6) . . . . ?
C9 C31 C32 C33 168.4(6) . . . . ?
C31 C32 C33 C34 -69.6(12) . . . . ?
C32 C33 C34 C35 177.2(11) . . . . ?
C33 C34 C35 C36 -177.6(15) . . . . ?
C33' C34' C35' C36' -178.8(13) . . . . ?
C14 C13 C37 C38 -96.1(6) . . . . ?
C12 C13 C37 C38 82.1(6) . . . . ?
C13 C37 C38 C39 -176.6(4) . . . . ?
C37 C38 C39 C40 -78.0(8) . . . . ?
C38 C39 C40 C41 177.6(10) . . . . ?
C39 C40 C41 C42 177.5(12) . . . . ?
C18 C19 C43 C44 -77.7(6) . . . . ?
C20 C19 C43 C44 100.6(5) . . . . ?
C19 C43 C44 C45 -76.6(7) . . . . ?
C43 C44 C45 C46 -75.8(8) . . . . ?
C48 C47 C46 C45 178.5(7) . . . . ?
C44 C45 C46 C47 -175.8(6) . . . . ?
C7 C6 C49 C54 -88.8(5) . . . . ?
C5 C6 C49 C54 91.0(5) . . . . ?
C7 C6 C49 C50 89.9(5) . . . . ?
C5 C6 C49 C50 -90.3(5) . . . . ?
C54 C49 C50 C51 1.8(8) . . . . ?
C6 C49 C50 C51 -176.9(5) . . . . ?
C53 C52 C51 C50 -1.3(9) . . . . ?
C49 C50 C51 C52 0.2(8) . . . . ?
C51 C52 C53 C54 0.5(9) . . . . ?
C50 C49 C54 C53 -2.6(8) . . . . ?
C6 C49 C54 C53 176.1(5) . . . . ?
C52 C53 C54 C49 1.5(8) . . . . ?
C15 C16 C55 C56 89.9(6) . . . . ?
C17 C16 C55 C56 -93.2(5) . . . . ?
C15 C16 C55 C60 -91.7(5) . . . . ?
C17 C16 C55 C60 85.3(5) . . . . ?
C60 C55 C56 C57 2.2(8) . . . . ?
C16 C55 C56 C57 -179.3(5) . . . . ?
C55 C56 C57 C58 -1.5(9) . . . . ?
C56 C57 C58 C59 -0.5(10) . . . . ?
C57 C58 C59 C60 1.8(10) . . . . ?
C58 C59 C60 C55 -1.1(8) . . . . ?
C56 C55 C60 C59 -0.9(8) . . . . ?
C16 C55 C60 C59 -179.4(5) . . . . ?
C65 N5 C62 C61 -178.1(4) . . . . ?
Sn1 N5 C62 C61 -0.2(6) . . . . ?
C65 N5 C62 C63 -0.2(5) . . . . ?
Sn1 N5 C62 C63 177.7(3) . . . . ?
C70 C61 C62 N5 -0.3(8) 2_666 . . . ?
C70 C61 C62 C63 -177.8(4) 2_666 . . . ?
N5 C62 C63 C64 -0.5(5) . . . . ?
C61 C62 C63 C64 177.3(4) . . . . ?
N5 C62 C63 C73 176.9(4) . . . . ?
C61 C62 C63 C73 -5.3(7) . . . . ?
C62 C63 C64 C65 1.0(5) . . . . ?
C73 C63 C64 C65 -176.3(4) . . . . ?
C62 C63 C64 C71 -177.1(4) . . . . ?
C73 C63 C64 C71 5.6(8) . . . . ?
C62 N5 C65 C66 -178.4(4) . . . . ?
Sn1 N5 C65 C66 3.8(5) . . . . ?
C62 N5 C65 C64 0.9(4) . . . . ?
Sn1 N5 C65 C64 -176.9(3) . . . . ?
C63 C64 C65 N5 -1.2(5) . . . . ?
C71 C64 C65 N5 176.7(5) . . . . ?
C63 C64 C65 C66 178.0(4) . . . . ?
C71 C64 C65 C66 -4.0(7) . . . . ?
N5 C65 C66 C67 -3.5(6) . . . . ?
C64 C65 C66 C67 177.4(4) . . . . ?
N5 C65 C66 C85 168.7(3) . . . . ?
C64 C65 C66 C85 -10.4(6) . . . . ?
C70 N6 C67 C66 177.1(3) . . . . ?
Sn1 N6 C67 C66 7.8(5) . . . . ?
C70 N6 C67 C68 -1.3(4) . . . . ?
Sn1 N6 C67 C68 -170.6(2) . . . . ?
C65 C66 C67 N6 -2.7(6) . . . . ?
C85 C66 C67 N6 -174.7(3) . . . . ?
C65 C66 C67 C68 175.4(4) . . . . ?
C85 C66 C67 C68 3.3(6) . . . . ?
N6 C67 C68 C69 0.0(4) . . . . ?
C66 C67 C68 C69 -178.4(4) . . . . ?
N6 C67 C68 C72 179.9(4) . . . . ?
C66 C67 C68 C72 1.6(7) . . . . ?
C67 C68 C69 C70 1.2(4) . . . . ?
C72 C68 C69 C70 -178.7(4) . . . . ?
C67 C68 C69 C79 179.8(4) . . . . ?
C72 C68 C69 C79 -0.1(7) . . . . ?
C67 N6 C70 C61 -177.9(4) . . . 2_666 ?
Sn1 N6 C70 C61 -7.8(6) . . . 2_666 ?
C67 N6 C70 C69 2.0(4) . . . . ?
Sn1 N6 C70 C69 172.1(2) . . . . ?
C68 C69 C70 N6 -2.0(4) . . . . ?
C79 C69 C70 N6 179.3(4) . . . . ?
C68 C69 C70 C61 177.9(4) . . . 2_666 ?
C79 C69 C70 C61 -0.8(7) . . . 2_666 ?
C64 C63 C73 C74 81.2(6) . . . . ?
C62 C63 C73 C74 -95.7(6) . . . . ?
C63 C73 C74 C75 73.4(8) . . . . ?
C73 C74 C75 C76 177.0(10) . . . . ?
C74 C75 C76 C77 174.2(12) . . . . ?
C75 C76 C77 C78 -165.7(14) . . . . ?
C75' C76' C77' C78' -178.9(12) . . . . ?
C68 C69 C79 C80 87.2(6) . . . . ?
C70 C69 C79 C80 -94.5(6) . . . . ?
C69 C79 C80 C81 179.5(5) . . . . ?
C79 C80 C81 C82 179.8(6) . . . . ?
C80 C81 C82 C83 -178.9(6) . . . . ?
C81 C82 C83 C84 -174.8(6) . . . . ?
C67 C66 C85 C90 94.7(5) . . . . ?
C65 C66 C85 C90 -78.2(5) . . . . ?
C67 C66 C85 C86 -83.9(6) . . . . ?
C65 C66 C85 C86 103.2(5) . . . . ?
C90 C85 C86 C87 1.0(8) . . . . ?
C66 C85 C86 C87 179.6(5) . . . . ?
C85 C86 C87 C88 0.5(9) . . . . ?
C86 C87 C88 C89 -2.0(9) . . . . ?
C87 C88 C89 C90 2.0(8) . . . . ?
C86 C85 C90 C89 -1.0(8) . . . . ?
C66 C85 C90 C89 -179.6(5) . . . . ?
C88 C89 C90 C85 -0.5(8) . . . . ?
Sn1 O2 C91 O1 4.5(7) . . . . ?
Sn1 O2 C91 C92 -175.6(3) . . . . ?
O1 C91 C92 C96 -179.1(5) . . . . ?
O2 C91 C92 C96 1.0(7) . . . . ?
O1 C91 C92 C93 2.6(6) . . . . ?
O2 C91 C92 C93 -177.3(4) . . . . ?
C96 C92 C93 C94 -0.5(7) . . . . ?
C91 C92 C93 C94 177.9(4) . . . . ?
C95 N7 C94 C93 5.3(7) . . . . ?
Rh1 N7 C94 C93 -177.7(4) . . . . ?
C92 C93 C94 N7 -2.9(7) . . . . ?
C94 N7 C95 C96 -4.5(7) . . . . ?
Rh1 N7 C95 C96 178.6(4) . . . . ?
C93 C92 C96 C95 1.3(7) . . . . ?
C91 C92 C96 C95 -177.1(4) . . . . ?
N7 C95 C96 C92 1.3(8) . . . . ?
