#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/13/4071331.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_4071331
loop_
_publ_author_name
'Yang, Liangru'
'Krüger, Anneke'
'Neels, Antonia'
'Albrecht, Martin'
_publ_section_title
;
 Rhodium(III) Complexes Containing C4-Bound N-Heterocyclic Carbenes:
 Synthesis, Coordination Chemistry, and Catalytic Activity in Transfer
 Hydrogenation
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3161
_journal_paper_doi               10.1021/om800110c
_journal_volume                  27
_journal_year                    2008
_chemical_formula_sum            'C34 H41.5 I3 N8.5 Rh'
_chemical_formula_weight         1052.87
_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                102.957(4)
_cell_angle_beta                 101.685(4)
_cell_angle_gamma                94.400(4)
_cell_formula_units_Z            2
_cell_length_a                   11.2799(6)
_cell_length_b                   12.3517(6)
_cell_length_c                   15.2258(8)
_cell_measurement_reflns_used    42011
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      29.62
_cell_measurement_theta_min      1.71
_cell_volume                     2007.85(19)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'rotation method'
_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  0.0282
_diffrn_reflns_av_sigmaI/netI    0.0210
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            39262
_diffrn_reflns_theta_full        29.23
_diffrn_reflns_theta_max         29.23
_diffrn_reflns_theta_min         1.71
_exptl_absorpt_coefficient_mu    2.766
_exptl_absorpt_correction_T_max  0.524
_exptl_absorpt_correction_T_min  0.396
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'MULABS, (PLATON03, Speck, 2003)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.741
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             1018
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.35
_refine_diff_density_max         1.157
_refine_diff_density_min         -1.742
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.859
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         10824
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.859
_refine_ls_R_factor_all          0.0394
_refine_ls_R_factor_gt           0.0314
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1030
_refine_ls_wR_factor_ref         0.1090
_reflns_number_gt                9154
_reflns_number_total             10824
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800110c-file013.cif
_cod_data_source_block           compound-3d
_cod_original_cell_volume        2007.85(18)
_cod_original_formula_sum        'C34 H41.50 I3 N8.50 Rh'
_cod_database_code               4071331
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
C1 C 0.2805(2) 0.9891(2) 0.25695(17) 0.0205(4) Uani 1 1 d .
C2 C 0.1599(2) 0.9490(2) 0.23800(18) 0.0243(5) Uani 1 1 d .
H2A H 0.1228 0.8793 0.1973 0.029 Uiso 1 1 calc R
C3 C 0.1801(2) 1.1143(2) 0.33709(18) 0.0222(5) Uani 1 1 d .
C4 C 0.4031(2) 1.1657(2) 0.36210(17) 0.0225(5) Uani 1 1 d .
H4A H 0.3859 1.2401 0.3938 0.027 Uiso 1 1 calc R
H4B H 0.4533 1.1336 0.4087 0.027 Uiso 1 1 calc R
C5 C 0.5307(2) 1.2747(2) 0.28907(18) 0.0225(5) Uani 1 1 d .
C6 C 0.5827(2) 1.1342(2) 0.19170(19) 0.0254(5) Uani 1 1 d .
H6A H 0.6218 1.0949 0.1469 0.031 Uiso 1 1 calc R
C7 C 0.4991(2) 1.0870(2) 0.22972(18) 0.0225(5) Uani 1 1 d .
C8 C -0.0344(2) 1.0212(3) 0.2803(2) 0.0323(6) Uani 1 1 d .
H8 H -0.0520 1.0981 0.3079 0.039 Uiso 1 1 calc R
C9 C -0.0999(3) 0.9892(4) 0.1796(3) 0.0563(11) Uani 1 1 d .
H9A H -0.0676 1.0411 0.1474 0.084 Uiso 1 1 calc R
H9B H -0.1874 0.9930 0.1745 0.084 Uiso 1 1 calc R
H9C H -0.0872 0.9127 0.1515 0.084 Uiso 1 1 calc R
C10 C -0.0754(3) 0.9440(4) 0.3351(4) 0.0596(12) Uani 1 1 d .
H10A H -0.0607 0.8676 0.3087 0.089 Uiso 1 1 calc R
H10B H -0.1627 0.9453 0.3328 0.089 Uiso 1 1 calc R
H10C H -0.0294 0.9689 0.3995 0.089 Uiso 1 1 calc R
C11 C 0.1556(2) 1.2115(2) 0.40435(19) 0.0245(5) Uani 1 1 d .
C12 C 0.1312(3) 1.3096(3) 0.3792(2) 0.0373(7) Uani 1 1 d .
H12A H 0.1300 1.3157 0.3179 0.045 Uiso 1 1 calc R
C13 C 0.1084(3) 1.3999(3) 0.4448(3) 0.0513(10) Uani 1 1 d .
H13A H 0.0927 1.4682 0.4284 0.062 Uiso 1 1 calc R
C14 C 0.1086(3) 1.3899(3) 0.5324(3) 0.0532(11) Uani 1 1 d .
H14A H 0.0919 1.4513 0.5762 0.064 Uiso 1 1 calc R
C15 C 0.1328(3) 1.2923(3) 0.5585(3) 0.0487(10) Uani 1 1 d .
H15A H 0.1320 1.2864 0.6195 0.058 Uiso 1 1 calc R
C16 C 0.1584(3) 1.2026(3) 0.4945(2) 0.0353(7) Uani 1 1 d .
H16A H 0.1776 1.1358 0.5121 0.042 Uiso 1 1 calc R
C17 C 0.5068(3) 1.3873(2) 0.33283(18) 0.0254(5) Uani 1 1 d .
C18 C 0.3905(3) 1.4159(3) 0.3074(2) 0.0348(6) Uani 1 1 d .
H18A H 0.3283 1.3627 0.2645 0.042 Uiso 1 1 calc R
C19 C 0.3650(4) 1.5234(3) 0.3451(3) 0.0455(8) Uani 1 1 d .
H19A H 0.2852 1.5432 0.3285 0.055 Uiso 1 1 calc R
C20 C 0.4560(4) 1.6001(3) 0.4063(3) 0.0444(9) Uani 1 1 d .
H20A H 0.4389 1.6734 0.4313 0.053 Uiso 1 1 calc R
C21 C 0.5715(3) 1.5721(3) 0.4321(3) 0.0434(9) Uani 1 1 d .
H21A H 0.6335 1.6264 0.4741 0.052 Uiso 1 1 calc R
C22 C 0.5984(3) 1.4651(2) 0.3971(2) 0.0313(6) Uani 1 1 d .
H22A H 0.6774 1.4451 0.4164 0.038 Uiso 1 1 calc R
C23 C 0.6888(3) 1.3297(2) 0.2068(2) 0.0283(5) Uani 1 1 d .
H23 H 0.6893 1.4057 0.2473 0.034 Uiso 1 1 calc R
C24 C 0.6468(4) 1.3348(4) 0.1072(3) 0.0556(11) Uani 1 1 d .
H24A H 0.6522 1.2627 0.0662 0.083 Uiso 1 1 calc R
H24B H 0.6989 1.3941 0.0947 0.083 Uiso 1 1 calc R
H24C H 0.5620 1.3508 0.0960 0.083 Uiso 1 1 calc R
C25 C 0.8162(3) 1.2966(3) 0.2272(3) 0.0443(8) Uani 1 1 d .
H25A H 0.8352 1.2846 0.2898 0.067 Uiso 1 1 calc R
H25B H 0.8754 1.3565 0.2230 0.067 Uiso 1 1 calc R
H25C H 0.8205 1.2274 0.1822 0.067 Uiso 1 1 calc R
C26 C 0.6105(3) 0.8167(3) 0.0917(2) 0.0367(7) Uani 1 1 d .
C27 C 0.6844(4) 0.7529(4) 0.0364(4) 0.0635(13) Uani 1 1 d .
H27A H 0.6327 0.6887 -0.0085 0.095 Uiso 1 1 calc R
H27B H 0.7487 0.7263 0.0768 0.095 Uiso 1 1 calc R
H27C H 0.7217 0.8009 0.0034 0.095 Uiso 1 1 calc R
C28 C 0.2923(3) 0.6717(2) 0.1382(2) 0.0309(6) Uani 1 1 d .
C29 C 0.2444(5) 0.5531(3) 0.1036(3) 0.0549(10) Uani 1 1 d .
H29A H 0.2228 0.5340 0.0358 0.082 Uiso 1 1 calc R
H29B H 0.1717 0.5379 0.1270 0.082 Uiso 1 1 calc R
H29C H 0.3067 0.5078 0.1248 0.082 Uiso 1 1 calc R
C30 C 0.2241(5) 1.7785(5) 0.4982(4) 0.0724(8) Uani 1 1 d D
C31 C 0.2126(5) 1.8304(5) 0.4229(4) 0.0724(8) Uani 1 1 d D
H31A H 0.2919 1.8396 0.4066 0.109 Uiso 1 1 calc R
H31B H 0.1852 1.9039 0.4407 0.109 Uiso 1 1 calc R
H31C H 0.1529 1.7833 0.3694 0.109 Uiso 1 1 calc R
C32 C 0.5515(9) 0.5759(7) 0.1260(6) 0.0573(11) Uani 0.50 1 d PD
C33 C 0.6103(9) 0.6242(7) 0.2190(6) 0.0573(11) Uani 0.50 1 d PD
H33A H 0.5812 0.5806 0.2586 0.086 Uiso 0.50 1 calc PR
H33B H 0.5920 0.7014 0.2367 0.086 Uiso 0.50 1 calc PR
H33C H 0.6987 0.6244 0.2263 0.086 Uiso 0.50 1 calc PR
C34 C 0.9310(4) 0.7289(5) -0.0954(3) 0.0706(8) Uani 1 1 d D
C35 C 1.0253(4) 0.7004(5) -0.0282(3) 0.0706(8) Uani 1 1 d D
H35A H 1.0520 0.6296 -0.0559 0.106 Uiso 1 1 calc R
H35B H 0.9933 0.6925 0.0256 0.106 Uiso 1 1 calc R
H35C H 1.0948 0.7599 -0.0086 0.106 Uiso 1 1 calc R
N1 N 0.09982(19) 1.0264(2) 0.28761(15) 0.0238(4) Uani 1 1 d .
N2 N 0.28940(19) 1.09246(18) 0.31873(14) 0.0206(4) Uani 1 1 d .
N3 N 0.46877(19) 1.17750(18) 0.29124(15) 0.0215(4) Uani 1 1 d .
N4 N 0.6016(2) 1.24944(19) 0.22921(17) 0.0249(4) Uani 1 1 d .
N5 N 0.5505(2) 0.8648(2) 0.13445(17) 0.0277(5) Uani 1 1 d .
N6 N 0.3287(2) 0.7640(2) 0.16509(17) 0.0278(5) Uani 1 1 d .
N7 N 0.2331(4) 1.7350(4) 0.5572(3) 0.0724(8) Uani 1 1 d D
N8 N 0.5092(8) 0.5375(6) 0.0498(5) 0.0573(11) Uani 0.50 1 d PD
N9 N 0.8569(4) 0.7500(4) -0.1497(3) 0.0706(8) Uani 1 1 d D
Rh1 Rh 0.415678(16) 0.931709(15) 0.201672(13) 0.01977(6) Uani 1 1 d .
I1 I 0.541838(18) 0.907685(17) 0.364458(13) 0.03259(6) Uani 1 1 d .
I2 I 0.293625(18) 0.965449(17) 0.043938(12) 0.03222(6) Uani 1 1 d .
I3 I -0.04659(3) 0.61073(2) 0.194801(19) 0.05816(9) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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_3
C2 C1 N2 103.8(2) .
C2 C1 Rh1 131.10(19) .
N2 C1 Rh1 124.64(17) .
C1 C2 N1 109.1(2) .
C1 C2 H2A 125.4 .
N1 C2 H2A 125.4 .
N1 C3 N2 106.3(2) .
N1 C3 C11 126.4(2) .
N2 C3 C11 127.1(2) .
N3 C4 N2 108.8(2) .
N3 C4 H4A 109.9 .
N2 C4 H4A 109.9 .
N3 C4 H4B 109.9 .
N2 C4 H4B 109.9 .
H4A C4 H4B 108.3 .
N4 C5 N3 107.3(2) .
N4 C5 C17 126.8(2) .
N3 C5 C17 125.1(2) .
C7 C6 N4 108.9(2) .
C7 C6 H6A 125.6 .
N4 C6 H6A 125.6 .
C6 C7 N3 104.4(2) .
C6 C7 Rh1 131.77(19) .
N3 C7 Rh1 123.44(18) .
N1 C8 C10 110.6(3) .
N1 C8 C9 109.4(3) .
C10 C8 C9 113.4(3) .
N1 C8 H8 107.8 .
C10 C8 H8 107.8 .
C9 C8 H8 107.8 .
C8 C9 H9A 109.5 .
C8 C9 H9B 109.5 .
H9A C9 H9B 109.5 .
C8 C9 H9C 109.5 .
H9A C9 H9C 109.5 .
H9B C9 H9C 109.5 .
C8 C10 H10A 109.5 .
C8 C10 H10B 109.5 .
H10A C10 H10B 109.5 .
C8 C10 H10C 109.5 .
H10A C10 H10C 109.5 .
H10B C10 H10C 109.5 .
C12 C11 C16 120.5(3) .
C12 C11 C3 121.0(3) .
C16 C11 C3 118.6(3) .
C11 C12 C13 119.4(4) .
C11 C12 H12A 120.3 .
C13 C12 H12A 120.3 .
C14 C13 C12 119.9(4) .
C14 C13 H13A 120.0 .
C12 C13 H13A 120.0 .
C13 C14 C15 121.3(3) .
C13 C14 H14A 119.4 .
C15 C14 H14A 119.4 .
C14 C15 C16 119.4(4) .
C14 C15 H15A 120.3 .
C16 C15 H15A 120.3 .
C15 C16 C11 119.5(3) .
C15 C16 H16A 120.2 .
C11 C16 H16A 120.2 .
C18 C17 C22 120.3(3) .
C18 C17 C5 118.0(2) .
C22 C17 C5 121.7(3) .
C17 C18 C19 119.8(3) .
C17 C18 H18A 120.1 .
C19 C18 H18A 120.1 .
C20 C19 C18 119.6(3) .
C20 C19 H19A 120.2 .
C18 C19 H19A 120.2 .
C19 C20 C21 120.8(3) .
C19 C20 H20A 119.6 .
C21 C20 H20A 119.6 .
C20 C21 C22 120.6(3) .
C20 C21 H21A 119.7 .
C22 C21 H21A 119.7 .
C21 C22 C17 118.8(3) .
C21 C22 H22A 120.6 .
C17 C22 H22A 120.6 .
N4 C23 C24 109.7(2) .
N4 C23 C25 109.8(3) .
C24 C23 C25 112.4(3) .
N4 C23 H23 108.3 .
C24 C23 H23 108.3 .
C25 C23 H23 108.3 .
C23 C24 H24A 109.5 .
C23 C24 H24B 109.5 .
H24A C24 H24B 109.5 .
C23 C24 H24C 109.5 .
H24A C24 H24C 109.5 .
H24B C24 H24C 109.5 .
C23 C25 H25A 109.5 .
C23 C25 H25B 109.5 .
H25A C25 H25B 109.5 .
C23 C25 H25C 109.5 .
H25A C25 H25C 109.5 .
H25B C25 H25C 109.5 .
N5 C26 C27 178.5(4) .
C26 C27 H27A 109.5 .
C26 C27 H27B 109.5 .
H27A C27 H27B 109.5 .
C26 C27 H27C 109.5 .
H27A C27 H27C 109.5 .
H27B C27 H27C 109.5 .
N6 C28 C29 179.5(4) .
C28 C29 H29A 109.5 .
C28 C29 H29B 109.5 .
H29A C29 H29B 109.5 .
C28 C29 H29C 109.5 .
H29A C29 H29C 109.5 .
H29B C29 H29C 109.5 .
N7 C30 C31 178.6(7) .
C30 C31 H31A 109.5 .
C30 C31 H31B 109.5 .
H31A C31 H31B 109.5 .
C30 C31 H31C 109.5 .
H31A C31 H31C 109.5 .
H31B C31 H31C 109.5 .
N8 C32 C33 176.7(11) .
C32 C33 H33A 109.5 .
C32 C33 H33B 109.5 .
H33A C33 H33B 109.5 .
C32 C33 H33C 109.5 .
H33A C33 H33C 109.5 .
H33B C33 H33C 109.5 .
N9 C34 C35 178.8(6) .
C34 C35 H35A 109.5 .
C34 C35 H35B 109.5 .
H35A C35 H35B 109.5 .
C34 C35 H35C 109.5 .
H35A C35 H35C 109.5 .
H35B C35 H35C 109.5 .
C3 N1 C2 109.0(2) .
C3 N1 C8 123.8(2) .
C2 N1 C8 126.8(2) .
C3 N2 C1 111.7(2) .
C3 N2 C4 124.0(2) .
C1 N2 C4 124.2(2) .
C5 N3 C7 110.5(2) .
C5 N3 C4 124.1(2) .
C7 N3 C4 123.9(2) .
C5 N4 C6 108.8(2) .
C5 N4 C23 126.2(2) .
C6 N4 C23 125.0(2) .
C26 N5 Rh1 170.4(2) .
C28 N6 Rh1 171.1(2) .
C32 N8 N8 159.9(10) 2_665
C7 Rh1 C1 90.03(10) .
C7 Rh1 N5 92.35(10) .
C1 Rh1 N5 176.03(9) .
C7 Rh1 N6 177.13(10) .
C1 Rh1 N6 92.09(10) .
N5 Rh1 N6 85.43(9) .
C7 Rh1 I2 87.60(8) .
C1 Rh1 I2 86.82(7) .
N5 Rh1 I2 90.12(7) .
N6 Rh1 I2 90.58(7) .
C7 Rh1 I1 89.92(8) .
C1 Rh1 I1 92.37(7) .
N5 Rh1 I1 90.80(7) .
N6 Rh1 I1 91.93(7) .
I2 Rh1 I1 177.390(9) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.361(3) .
C1 N2 1.389(3) .
C1 Rh1 1.989(2) .
C2 N1 1.388(3) .
C2 H2A 0.9500 .
C3 N1 1.332(3) .
C3 N2 1.352(3) .
C3 C11 1.476(4) .
C4 N3 1.453(3) .
C4 N2 1.453(3) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 N4 1.332(3) .
C5 N3 1.352(3) .
C5 C17 1.472(3) .
C6 C7 1.361(4) .
C6 N4 1.392(3) .
C6 H6A 0.9500 .
C7 N3 1.401(3) .
C7 Rh1 1.985(2) .
C8 N1 1.491(3) .
C8 C10 1.504(5) .
C8 C9 1.509(5) .
C8 H8 1.0000 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 C12 1.381(4) .
C11 C16 1.396(4) .
C12 C13 1.399(5) .
C12 H12A 0.9500 .
C13 C14 1.366(7) .
C13 H13A 0.9500 .
C14 C15 1.381(7) .
C14 H14A 0.9500 .
C15 C16 1.392(4) .
C15 H15A 0.9500 .
C16 H16A 0.9500 .
C17 C18 1.386(4) .
C17 C22 1.402(4) .
C18 C19 1.400(5) .
C18 H18A 0.9500 .
C19 C20 1.374(6) .
C19 H19A 0.9500 .
C20 C21 1.377(6) .
C20 H20A 0.9500 .
C21 C22 1.390(4) .
C21 H21A 0.9500 .
C22 H22A 0.9500 .
C23 N4 1.485(3) .
C23 C24 1.512(5) .
C23 C25 1.515(5) .
C23 H23 1.0000 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 N5 1.141(4) .
C26 C27 1.454(5) .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 N6 1.135(4) .
C28 C29 1.460(4) .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 N7 1.137(6) .
C30 C31 1.423(6) .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 N8 1.137(10) .
C32 C33 1.406(11) .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C34 N9 1.140(7) .
C34 C35 1.443(7) .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
N5 Rh1 2.118(2) .
N6 Rh1 2.124(2) .
N8 N8 1.555(16) 2_665
Rh1 I2 2.6523(3) .
Rh1 I1 2.6874(3) .
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_4
N2 C1 C2 N1 -0.3(3) .
Rh1 C1 C2 N1 -172.7(2) .
N4 C6 C7 N3 -0.1(3) .
N4 C6 C7 Rh1 173.0(2) .
N1 C3 C11 C12 -97.0(4) .
N2 C3 C11 C12 88.5(4) .
N1 C3 C11 C16 83.3(4) .
N2 C3 C11 C16 -91.1(4) .
C16 C11 C12 C13 -0.5(5) .
C3 C11 C12 C13 179.9(3) .
C11 C12 C13 C14 -0.9(5) .
C12 C13 C14 C15 0.9(6) .
C13 C14 C15 C16 0.5(6) .
C14 C15 C16 C11 -1.9(5) .
C12 C11 C16 C15 1.9(5) .
C3 C11 C16 C15 -178.5(3) .
N4 C5 C17 C18 111.3(3) .
N3 C5 C17 C18 -57.3(4) .
N4 C5 C17 C22 -67.5(4) .
N3 C5 C17 C22 123.9(3) .
C22 C17 C18 C19 0.8(5) .
C5 C17 C18 C19 -178.0(3) .
C17 C18 C19 C20 0.7(5) .
C18 C19 C20 C21 -0.9(6) .
C19 C20 C21 C22 -0.5(6) .
C20 C21 C22 C17 2.1(5) .
C18 C17 C22 C21 -2.2(5) .
C5 C17 C22 C21 176.5(3) .
N2 C3 N1 C2 0.0(3) .
C11 C3 N1 C2 -175.3(3) .
N2 C3 N1 C8 -173.6(3) .
C11 C3 N1 C8 11.0(4) .
C1 C2 N1 C3 0.2(3) .
C1 C2 N1 C8 173.6(3) .
C10 C8 N1 C3 -106.9(4) .
C9 C8 N1 C3 127.5(3) .
C10 C8 N1 C2 80.6(4) .
C9 C8 N1 C2 -44.9(4) .
N1 C3 N2 C1 -0.2(3) .
C11 C3 N2 C1 175.1(3) .
N1 C3 N2 C4 -177.3(2) .
C11 C3 N2 C4 -2.0(4) .
C2 C1 N2 C3 0.3(3) .
Rh1 C1 N2 C3 173.34(19) .
C2 C1 N2 C4 177.4(2) .
Rh1 C1 N2 C4 -9.6(4) .
N3 C4 N2 C3 -134.3(3) .
N3 C4 N2 C1 49.0(3) .
N4 C5 N3 C7 -1.0(3) .
C17 C5 N3 C7 169.4(3) .
N4 C5 N3 C4 165.7(2) .
C17 C5 N3 C4 -23.9(4) .
C6 C7 N3 C5 0.7(3) .
Rh1 C7 N3 C5 -173.17(19) .
C6 C7 N3 C4 -166.0(2) .
Rh1 C7 N3 C4 20.1(4) .
N2 C4 N3 C5 140.1(3) .
N2 C4 N3 C7 -54.9(3) .
N3 C5 N4 C6 0.9(3) .
C17 C5 N4 C6 -169.3(3) .
N3 C5 N4 C23 -177.9(3) .
C17 C5 N4 C23 11.8(5) .
C7 C6 N4 C5 -0.5(3) .
C7 C6 N4 C23 178.3(3) .
C24 C23 N4 C5 -114.5(4) .
C25 C23 N4 C5 121.6(3) .
C24 C23 N4 C6 66.9(4) .
C25 C23 N4 C6 -57.1(4) .
C27 C26 N5 Rh1 -8(18) .
C29 C28 N6 Rh1 -146(42) .
C33 C32 N8 N8 46(17) 2_665
C6 C7 Rh1 C1 -156.5(3) .
N3 C7 Rh1 C1 15.5(2) .
C6 C7 Rh1 N5 20.3(3) .
N3 C7 Rh1 N5 -167.7(2) .
C6 C7 Rh1 N6 -19(2) .
N3 C7 Rh1 N6 153.1(19) .
C6 C7 Rh1 I2 -69.7(3) .
N3 C7 Rh1 I2 102.3(2) .
C6 C7 Rh1 I1 111.1(3) .
N3 C7 Rh1 I1 -76.9(2) .
C2 C1 Rh1 C7 150.5(3) .
N2 C1 Rh1 C7 -20.5(2) .
C2 C1 Rh1 N5 23.6(16) .
N2 C1 Rh1 N5 -147.4(13) .
C2 C1 Rh1 N6 -27.6(3) .
N2 C1 Rh1 N6 161.4(2) .
C2 C1 Rh1 I2 62.9(3) .
N2 C1 Rh1 I2 -108.1(2) .
C2 C1 Rh1 I1 -119.6(3) .
N2 C1 Rh1 I1 69.4(2) .
C26 N5 Rh1 C7 -155.1(17) .
C26 N5 Rh1 C1 -28(3) .
C26 N5 Rh1 N6 23.1(17) .
C26 N5 Rh1 I2 -67.5(17) .
C26 N5 Rh1 I1 114.9(17) .
C28 N6 Rh1 C7 26(3) .
C28 N6 Rh1 C1 163.6(17) .
C28 N6 Rh1 N5 -13.3(17) .
C28 N6 Rh1 I2 76.7(17) .
C28 N6 Rh1 I1 -104.0(17) .
