#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:47:12 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180155 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/51/7105145.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_7105145
loop_
_publ_author_name
'Krüger, Anneke'
'Neels, Antonia'
'Albrecht, Martin'
_publ_section_title
;
 Rhodium-mediated activation of an alkane-type C-H bond.
;
_journal_issue                   2
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              315
_journal_page_last               317
_journal_paper_doi               10.1039/b918660c
_journal_volume                  46
_journal_year                    2009
_chemical_formula_sum            'C40 H68 I4 N8 Rh2'
_chemical_formula_weight         1374.44
_chemical_name_systematic
;
?
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2bc 2a'
_symmetry_space_group_name_H-M   'P m n b'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.2889(13)
_cell_length_b                   15.9079(13)
_cell_length_c                   20.8008(19)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.75
_cell_measurement_theta_min      2.15
_cell_volume                     5059.1(8)
_computing_cell_refinement       'CELL (Stoe IPDS Software, 2000)'
_computing_data_collection       'EXPOSE (Stoe IPDS Software, 2000)'
_computing_data_reduction        'INTEGRATE (Stoe IPDS Software, 2000)'
_computing_molecular_graphics    'PLATON99 (Spek, 1990)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 0.81\%A
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'STOE IPDS'
_diffrn_measurement_method       'phi oscillation'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1149
_diffrn_reflns_av_sigmaI/netI    0.0882
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            36742
_diffrn_reflns_theta_full        26.22
_diffrn_reflns_theta_max         26.22
_diffrn_reflns_theta_min         2.34
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.128
_exptl_absorpt_correction_T_max  0.514
_exptl_absorpt_correction_T_min  0.358
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'MULscanABS, (PLATON03, Speck, 2003)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.805
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             2664
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.850
_refine_diff_density_min         -1.722
_refine_diff_density_rms         0.260
_refine_ls_extinction_coef       0.0025(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.844
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     140
_refine_ls_number_reflns         5201
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.844
_refine_ls_R_factor_all          0.1170
_refine_ls_R_factor_gt           0.0751
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1355P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1913
_refine_ls_wR_factor_ref         0.2086
_reflns_number_gt                2511
_reflns_number_total             5201
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b918660c.txt
_cod_data_source_block           3a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      Pmnb
_cod_database_code               7105145
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y+1/2, z+1/2'
'x+1/2, -y, -z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, y-1/2, -z-1/2'
'-x-1/2, y, z'
'x-1/2, -y-1/2, z-1/2'
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
C1 C 0.4386(11) 0.3148(12) 0.0554(9) 0.1055(19) Uani 1 1 d . . .
C2 C 0.4606(10) 0.3065(11) -0.0062(9) 0.1055(19) Uani 1 1 d . . .
H8 H 0.4328 0.2700 -0.0361 0.127 Uiso 1 1 calc R . .
C3 C 0.5545(11) 0.3992(12) 0.0321(10) 0.1055(19) Uani 1 1 d . . .
C4 C 0.4958(11) 0.4024(12) 0.1459(9) 0.1055(19) Uani 1 1 d . . .
H6A H 0.4673 0.4582 0.1481 0.127 Uiso 1 1 calc R . .
H6B H 0.5553 0.4070 0.1644 0.127 Uiso 1 1 calc R . .
C5 C 0.4413(8) 0.3361(8) 0.1828(6) 0.069(3) Uani 1 1 d . . .
H5A H 0.4050 0.3661 0.2156 0.083 Uiso 1 1 calc R . .
C6 C 0.4980(12) 0.2689(11) 0.2183(9) 0.1047(19) Uani 1 1 d . . .
H4A H 0.5576 0.2913 0.2253 0.126 Uiso 1 1 calc R . .
H4B H 0.4718 0.2565 0.2608 0.126 Uiso 1 1 calc R . .
C7 C 0.4377(11) 0.1777(12) 0.1331(9) 0.1047(19) Uani 1 1 d . . .
C8 C 0.4560(11) 0.1016(11) 0.1099(9) 0.1047(19) Uani 1 1 d . . .
H2 H 0.4254 0.0730 0.0767 0.126 Uiso 1 1 calc R . .
C9 C 0.5564(11) 0.1267(12) 0.1866(10) 0.1047(19) Uani 1 1 d . . .
C10 C 0.5688(11) 0.3677(12) -0.0870(9) 0.1055(19) Uani 1 1 d . . .
H14A H 0.6072 0.4185 -0.0893 0.127 Uiso 1 1 calc R . .
C11 C 0.5067(10) 0.3689(12) -0.1382(9) 0.1055(19) Uani 1 1 d . . .
H15A H 0.4524 0.3953 -0.1233 0.158 Uiso 1 1 calc R . .
H15B H 0.4945 0.3112 -0.1521 0.158 Uiso 1 1 calc R . .
H15C H 0.5305 0.4011 -0.1744 0.158 Uiso 1 1 calc R . .
C12 C 0.6245(11) 0.2867(11) -0.0957(9) 0.1055(19) Uani 1 1 d . . .
H16A H 0.6250 0.2706 -0.1412 0.158 Uiso 1 1 calc R . .
H16B H 0.5992 0.2411 -0.0702 0.158 Uiso 1 1 calc R . .
H16C H 0.6845 0.2974 -0.0814 0.158 Uiso 1 1 calc R . .
C13 C 0.6270(10) 0.4599(12) 0.0376(8) 0.1055(19) Uani 1 1 d . . .
H17A H 0.6322 0.4918 -0.0026 0.158 Uiso 1 1 calc R . .
H17B H 0.6817 0.4297 0.0458 0.158 Uiso 1 1 calc R . .
H17C H 0.6153 0.4987 0.0731 0.158 Uiso 1 1 calc R . .
C14 C 0.5707(11) -0.0117(11) 0.1359(9) 0.1047(19) Uani 1 1 d . . .
H10A H 0.6305 -0.0137 0.1552 0.126 Uiso 1 1 calc R . .
C15 C 0.5717(10) -0.0404(11) 0.0679(9) 0.1047(19) Uani 1 1 d . . .
H11A H 0.5116 -0.0434 0.0516 0.157 Uiso 1 1 calc R . .
H11B H 0.5988 -0.0962 0.0654 0.157 Uiso 1 1 calc R . .
H11C H 0.6054 -0.0007 0.0418 0.157 Uiso 1 1 calc R . .
C16 C 0.5158(11) -0.0743(11) 0.1623(9) 0.1047(19) Uani 1 1 d . . .
H12A H 0.4709 -0.0899 0.1308 0.157 Uiso 1 1 calc R . .
H12B H 0.4876 -0.0526 0.2012 0.157 Uiso 1 1 calc R . .
H12C H 0.5508 -0.1240 0.1731 0.157 Uiso 1 1 calc R . .
C17 C 0.6288(11) 0.1225(11) 0.2328(9) 0.1047(19) Uani 1 1 d . . .
H13A H 0.6843 0.1176 0.2096 0.157 Uiso 1 1 calc R . .
H13B H 0.6210 0.0735 0.2607 0.157 Uiso 1 1 calc R . .
H13C H 0.6293 0.1737 0.2590 0.157 Uiso 1 1 calc R . .
I1 I 0.2500 0.18724(8) 0.03375(6) 0.0662(4) Uani 1 2 d S . .
I2 I 0.2500 0.21953(8) 0.22123(6) 0.0703(4) Uani 1 2 d S . .
I3 I 0.2500 0.41587(8) 0.10865(6) 0.0655(4) Uani 1 2 d S . .
I4 I 0.7500 0.38361(14) 0.23565(12) 0.1297(8) Uani 1 2 d S . .
N1 N 0.5305(8) 0.3594(9) -0.0202(6) 0.093(4) Uani 1 1 d . . .
N2 N 0.4999(6) 0.3723(7) 0.0785(6) 0.072(3) Uani 1 1 d . . .
N3 N 0.5025(6) 0.1932(7) 0.1809(6) 0.074(3) Uani 1 1 d . . .
N4 N 0.5305(8) 0.0711(8) 0.1444(7) 0.091(4) Uani 1 1 d . . .
Rh1 Rh 0.35775(5) 0.27336(6) 0.12118(5) 0.0584(3) 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'
I I -0.4742 1.8119 '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'
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
C2 C1 N2 103.1(14) . . ?
C2 C1 Rh1 143.0(16) . . ?
N2 C1 Rh1 113.8(13) . . ?
C1 C2 N1 109.6(17) . . ?
C1 C2 H8 125.2 . . ?
N1 C2 H8 125.2 . . ?
N1 C3 N2 105.5(14) . . ?
N1 C3 C13 126.2(16) . . ?
N2 C3 C13 128.2(18) . . ?
N2 C4 C5 105.7(13) . . ?
N2 C4 H6A 110.6 . . ?
C5 C4 H6A 110.6 . . ?
N2 C4 H6B 110.6 . . ?
C5 C4 H6B 110.6 . . ?
H6A C4 H6B 108.7 . . ?
C4 C5 C6 113.7(12) . . ?
C4 C5 Rh1 110.8(10) . . ?
C6 C5 Rh1 107.8(10) . . ?
C4 C5 H5A 108.1 . . ?
C6 C5 H5A 108.1 . . ?
Rh1 C5 H5A 108.1 . . ?
N3 C6 C5 110.1(13) . . ?
N3 C6 H4A 109.6 . . ?
C5 C6 H4A 109.6 . . ?
N3 C6 H4B 109.6 . . ?
C5 C6 H4B 109.6 . . ?
H4A C6 H4B 108.2 . . ?
C8 C7 N3 105.3(15) . . ?
C8 C7 Rh1 141.9(16) . . ?
N3 C7 Rh1 112.7(12) . . ?
C7 C8 N4 107.0(17) . . ?
C7 C8 H2 126.5 . . ?
N4 C8 H2 126.5 . . ?
N4 C9 N3 106.7(15) . . ?
N4 C9 C17 129.6(16) . . ?
N3 C9 C17 123.7(18) . . ?
C11 C10 N1 115.4(13) . . ?
C11 C10 C12 106.8(16) . . ?
N1 C10 C12 104.3(14) . . ?
C11 C10 H14A 110.0 . . ?
N1 C10 H14A 110.0 . . ?
C12 C10 H14A 110.0 . . ?
C10 C11 H15A 109.5 . . ?
C10 C11 H15B 109.5 . . ?
H15A C11 H15B 109.5 . . ?
C10 C11 H15C 109.5 . . ?
H15A C11 H15C 109.5 . . ?
H15B C11 H15C 109.5 . . ?
C10 C12 H16A 109.5 . . ?
C10 C12 H16B 109.5 . . ?
H16A C12 H16B 109.5 . . ?
C10 C12 H16C 109.5 . . ?
H16A C12 H16C 109.5 . . ?
H16B C12 H16C 109.5 . . ?
C3 C13 H17A 109.5 . . ?
C3 C13 H17B 109.5 . . ?
H17A C13 H17B 109.5 . . ?
C3 C13 H17C 109.5 . . ?
H17A C13 H17C 109.5 . . ?
H17B C13 H17C 109.5 . . ?
C16 C14 N4 109.7(14) . . ?
C16 C14 C15 99.1(16) . . ?
N4 C14 C15 113.4(14) . . ?
C16 C14 H10A 111.3 . . ?
N4 C14 H10A 111.3 . . ?
C15 C14 H10A 111.3 . . ?
C14 C15 H11A 109.5 . . ?
C14 C15 H11B 109.5 . . ?
H11A C15 H11B 109.5 . . ?
C14 C15 H11C 109.5 . . ?
H11A C15 H11C 109.5 . . ?
H11B C15 H11C 109.5 . . ?
C14 C16 H12A 109.5 . . ?
C14 C16 H12B 109.5 . . ?
H12A C16 H12B 109.5 . . ?
C14 C16 H12C 109.5 . . ?
H12A C16 H12C 109.5 . . ?
H12B C16 H12C 109.5 . . ?
C9 C17 H13A 109.5 . . ?
C9 C17 H13B 109.5 . . ?
H13A C17 H13B 109.5 . . ?
C9 C17 H13C 109.5 . . ?
H13A C17 H13C 109.5 . . ?
H13B C17 H13C 109.5 . . ?
Rh1 I1 Rh1 71.77(5) . 7_655 ?
Rh1 I2 Rh1 72.41(5) 7_655 . ?
Rh1 I3 Rh1 71.65(5) 7_655 . ?
C3 N1 C2 109.5(13) . . ?
C3 N1 C10 127.6(14) . . ?
C2 N1 C10 122.9(15) . . ?
C3 N2 C1 112.2(14) . . ?
C3 N2 C4 127.0(14) . . ?
C1 N2 C4 120.6(12) . . ?
C9 N3 C7 110.5(14) . . ?
C9 N3 C6 129.9(14) . . ?
C7 N3 C6 119.3(12) . . ?
C9 N4 C8 110.4(14) . . ?
C9 N4 C14 124.3(15) . . ?
C8 N4 C14 125.3(16) . . ?
C1 Rh1 C7 87.5(8) . . ?
C1 Rh1 C5 83.1(7) . . ?
C7 Rh1 C5 84.9(7) . . ?
C1 Rh1 I2 176.0(6) . . ?
C7 Rh1 I2 92.0(5) . . ?
C5 Rh1 I2 92.9(4) . . ?
C1 Rh1 I1 94.7(6) . . ?
C7 Rh1 I1 94.0(6) . . ?
C5 Rh1 I1 177.6(4) . . ?
I2 Rh1 I1 89.25(4) . . ?
C1 Rh1 I3 91.9(5) . . ?
C7 Rh1 I3 176.6(6) . . ?
C5 Rh1 I3 91.7(4) . . ?
I2 Rh1 I3 88.32(4) . . ?
I1 Rh1 I3 89.41(4) . . ?
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
C1 C2 1.33(2) . ?
C1 N2 1.39(2) . ?
C1 Rh1 1.958(16) . ?
C2 N1 1.391(19) . ?
C2 H8 0.9500 . ?
C3 N1 1.31(2) . ?
C3 N2 1.347(19) . ?
C3 C13 1.47(2) . ?
C4 N2 1.48(2) . ?
C4 C5 1.55(2) . ?
C4 H6A 0.9900 . ?
C4 H6B 0.9900 . ?
C5 C6 1.561(19) . ?
C5 Rh1 2.066(12) . ?
C5 H5A 1.0000 . ?
C6 N3 1.44(2) . ?
C6 H4A 0.9900 . ?
C6 H4B 0.9900 . ?
C7 C8 1.33(2) . ?
C7 N3 1.42(2) . ?
C7 Rh1 1.968(17) . ?
C8 N4 1.43(2) . ?
C8 H2 0.9500 . ?
C9 N4 1.31(2) . ?
C9 N3 1.346(19) . ?
C9 C17 1.47(2) . ?
C10 C11 1.43(2) . ?
C10 N1 1.51(2) . ?
C10 C12 1.55(2) . ?
C10 H14A 1.0000 . ?
C11 H15A 0.9800 . ?
C11 H15B 0.9800 . ?
C11 H15C 0.9800 . ?
C12 H16A 0.9800 . ?
C12 H16B 0.9800 . ?
C12 H16C 0.9800 . ?
C13 H17A 0.9800 . ?
C13 H17B 0.9800 . ?
C13 H17C 0.9800 . ?
C14 C16 1.41(2) . ?
C14 N4 1.464(19) . ?
C14 C15 1.49(2) . ?
C14 H10A 1.0000 . ?
C15 H11A 0.9800 . ?
C15 H11B 0.9800 . ?
C15 H11C 0.9800 . ?
C16 H12A 0.9800 . ?
C16 H12B 0.9800 . ?
C16 H12C 0.9800 . ?
C17 H13A 0.9800 . ?
C17 H13B 0.9800 . ?
C17 H13C 0.9800 . ?
I1 Rh1 2.8104(13) . ?
I1 Rh1 2.8104(13) 7_655 ?
I2 Rh1 2.7890(13) 7_655 ?
I2 Rh1 2.7890(13) . ?
I3 Rh1 2.8145(13) 7_655 ?
I3 Rh1 2.8145(13) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 C1 C2 N1 -2(2) . . . . ?
Rh1 C1 C2 N1 -178.9(18) . . . . ?
N2 C4 C5 C6 96.1(15) . . . . ?
N2 C4 C5 Rh1 -25.5(14) . . . . ?
C4 C5 C6 N3 -99.3(16) . . . . ?
Rh1 C5 C6 N3 24.0(15) . . . . ?
N3 C7 C8 N4 1.0(19) . . . . ?
Rh1 C7 C8 N4 177.4(17) . . . . ?
N2 C3 N1 C2 -0.6(19) . . . . ?
C13 C3 N1 C2 179.1(17) . . . . ?
N2 C3 N1 C10 178.5(14) . . . . ?
C13 C3 N1 C10 -2(3) . . . . ?
C1 C2 N1 C3 2(2) . . . . ?
C1 C2 N1 C10 -177.3(16) . . . . ?
C11 C10 N1 C3 -138.7(19) . . . . ?
C12 C10 N1 C3 105(2) . . . . ?
C11 C10 N1 C2 40(2) . . . . ?
C12 C10 N1 C2 -76.5(19) . . . . ?
N1 C3 N2 C1 -1(2) . . . . ?
C13 C3 N2 C1 179.6(18) . . . . ?
N1 C3 N2 C4 -175.7(14) . . . . ?
C13 C3 N2 C4 5(3) . . . . ?
C2 C1 N2 C3 2(2) . . . . ?
Rh1 C1 N2 C3 179.7(11) . . . . ?
C2 C1 N2 C4 177.1(14) . . . . ?
Rh1 C1 N2 C4 -5.1(19) . . . . ?
C5 C4 N2 C3 -165.0(14) . . . . ?
C5 C4 N2 C1 20.6(19) . . . . ?
N4 C9 N3 C7 1.2(19) . . . . ?
C17 C9 N3 C7 -178.6(16) . . . . ?
N4 C9 N3 C6 175.3(15) . . . . ?
C17 C9 N3 C6 -5(3) . . . . ?
C8 C7 N3 C9 -1(2) . . . . ?
Rh1 C7 N3 C9 -179.0(12) . . . . ?
C8 C7 N3 C6 -176.2(15) . . . . ?
Rh1 C7 N3 C6 6.2(19) . . . . ?
C5 C6 N3 C9 165.7(15) . . . . ?
C5 C6 N3 C7 -21(2) . . . . ?
N3 C9 N4 C8 -1(2) . . . . ?
C17 C9 N4 C8 179.2(18) . . . . ?
N3 C9 N4 C14 -178.6(14) . . . . ?
C17 C9 N4 C14 1(3) . . . . ?
C7 C8 N4 C9 0(2) . . . . ?
C7 C8 N4 C14 177.7(16) . . . . ?
C16 C14 N4 C9 105(2) . . . . ?
C15 C14 N4 C9 -144.8(17) . . . . ?
C16 C14 N4 C8 -72(2) . . . . ?
C15 C14 N4 C8 37(2) . . . . ?
C2 C1 Rh1 C7 83(3) . . . . ?
N2 C1 Rh1 C7 -94.0(13) . . . . ?
C2 C1 Rh1 C5 168(3) . . . . ?
N2 C1 Rh1 C5 -8.8(12) . . . . ?
C2 C1 Rh1 I2 166(6) . . . . ?
N2 C1 Rh1 I2 -10(9) . . . . ?
C2 C1 Rh1 I1 -11(3) . . . . ?
N2 C1 Rh1 I1 172.3(11) . . . . ?
C2 C1 Rh1 I3 -101(2) . . . . ?
N2 C1 Rh1 I3 82.7(12) . . . . ?
C8 C7 Rh1 C1 -86(2) . . . . ?
N3 C7 Rh1 C1 90.4(13) . . . . ?
C8 C7 Rh1 C5 -169(2) . . . . ?
N3 C7 Rh1 C5 7.1(11) . . . . ?
C8 C7 Rh1 I2 98(2) . . . . ?
N3 C7 Rh1 I2 -85.6(11) . . . . ?
C8 C7 Rh1 I1 9(2) . . . . ?
N3 C7 Rh1 I1 -175.0(11) . . . . ?
C8 C7 Rh1 I3 -166(7) . . . . ?
N3 C7 Rh1 I3 10(10) . . . . ?
C4 C5 Rh1 C1 19.9(11) . . . . ?
C6 C5 Rh1 C1 -105.2(11) . . . . ?
C4 C5 Rh1 C7 107.9(11) . . . . ?
C6 C5 Rh1 C7 -17.1(11) . . . . ?
C4 C5 Rh1 I2 -160.3(9) . . . . ?
C6 C5 Rh1 I2 74.7(9) . . . . ?
C4 C5 Rh1 I1 46(9) . . . . ?
C6 C5 Rh1 I1 -79(9) . . . . ?
C4 C5 Rh1 I3 -71.9(10) . . . . ?
C6 C5 Rh1 I3 163.1(9) . . . . ?
Rh1 I2 Rh1 C1 139(8) 7_655 . . . ?
Rh1 I2 Rh1 C7 -138.1(6) 7_655 . . . ?
Rh1 I2 Rh1 C5 136.9(4) 7_655 . . . ?
Rh1 I2 Rh1 I1 -44.20(4) 7_655 . . . ?
Rh1 I2 Rh1 I3 45.23(4) 7_655 . . . ?
Rh1 I1 Rh1 C1 -136.2(5) 7_655 . . . ?
Rh1 I1 Rh1 C7 136.0(5) 7_655 . . . ?
Rh1 I1 Rh1 C5 -163(9) 7_655 . . . ?
Rh1 I1 Rh1 I2 43.97(4) 7_655 . . . ?
Rh1 I1 Rh1 I3 -44.36(4) 7_655 . . . ?
Rh1 I3 Rh1 C1 139.0(6) 7_655 . . . ?
Rh1 I3 Rh1 C7 -141(9) 7_655 . . . ?
Rh1 I3 Rh1 C5 -137.8(4) 7_655 . . . ?
Rh1 I3 Rh1 I2 -44.96(4) 7_655 . . . ?
Rh1 I3 Rh1 I1 44.31(4) 7_655 . . . ?
