#------------------------------------------------------------------------------
#$Date: 2016-03-22 12:26:49 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178950 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/79/4117932.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_4117932
loop_
_publ_author_name
'Andrea Di Giuseppe'
'Ricardo Castarlenas'
'Jesús J. Pérez-Torrente'
'Marcello Crucianelli'
'Victor Polo'
'Rodrigo Sancho'
'Fernando J. Lahoz'
'Luis A. Oro'
_publ_contact_author_address
;
  Dr. Fernando J. Lahoz
  Departamento de Química Inorgánica - I.S.Q.C.H.
  Facultad de Ciencias
  Universidad de Zaragoza - C.S.I.C.
  50009 Zaragoza, Spain
;
_publ_contact_author_email       lahoz@unizar.es
_publ_contact_author_fax         '+34 976 761187'
_publ_contact_author_name        'Dr. Fernando J. Lahoz'
_publ_contact_author_phone       '+34 976 761147'
_publ_section_title
;
 Ligand-Controlled Regioselectivity in the Hydrothiolation of Alkynes by
 Rhodium N-Heterocyclic Carbene Catalysts
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8171
_journal_page_last               8183
_journal_paper_doi               10.1021/ja300396h
_journal_volume                  134
_journal_year                    2012
_chemical_formula_moiety         'C58 H80 Cl2 N4 Rh2'
_chemical_formula_sum            'C58 H80 Cl2 N4 Rh2'
_chemical_formula_weight         1109.98
_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                101.2870(5)
_cell_angle_beta                 110.5192(5)
_cell_angle_gamma                111.5633(4)
_cell_formula_units_Z            1
_cell_length_a                   10.2222(4)
_cell_length_b                   12.2208(5)
_cell_length_c                   13.5228(5)
_cell_measurement_reflns_used    9891
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.4065
_cell_measurement_theta_min      2.267
_cell_volume                     1365.44(9)
_computing_cell_refinement       'APEX2 v. 2009.7 (Bruker AXS, 2008)'
_computing_data_collection       'APEX2 v. 2009.7 (Bruker AXS, 2008)'
_computing_data_reduction        'APEX2 v. 2009.7 (Bruker AXS, 2008)'
_computing_molecular_graphics    ORTEP
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.26
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.905
_diffrn_measurement_device_type  'Bruker APEX DUO system'
_diffrn_measurement_method       'ω and φ rotations with narrow frames'
_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  0.0161
_diffrn_reflns_av_sigmaI/netI    0.0213
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16152
_diffrn_reflns_theta_full        29.00
_diffrn_reflns_theta_max         30.52
_diffrn_reflns_theta_min         1.73
_diffrn_standards_decay_%        'no decay'
_exptl_absorpt_coefficient_mu    0.742
_exptl_absorpt_correction_T_max  0.9071
_exptl_absorpt_correction_T_min  0.8041
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 multi-scan correction included in APEX2 package (Bruker AXS, 2008)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.350
_exptl_crystal_description       prism
_exptl_crystal_F_000             580
_exptl_crystal_size_max          0.191
_exptl_crystal_size_mid          0.186
_exptl_crystal_size_min          0.154
_refine_diff_density_max         0.831
_refine_diff_density_min         -0.324
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     322
_refine_ls_number_reflns         7570
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0227
_refine_ls_R_factor_gt           0.0216
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0296P)²+0.5838P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0553
_refine_ls_wR_factor_ref         0.0560
_reflns_number_gt                7227
_reflns_number_total             7570
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja300396h_si_002_1.cif
_cod_data_source_block           compnd_2
_cod_database_code               4117932
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
Rh1 Rh 0.712501(10) 0.588516(8) 0.574811(7) 0.01267(3) Uani 1 1 d .
Cl1 Cl 0.50632(4) 0.42522(3) 0.39074(3) 0.02141(6) Uani 1 1 d .
N1 N 0.88257(12) 0.67312(9) 0.82482(8) 0.01457(19) Uani 1 1 d .
N2 N 0.99437(12) 0.82464(9) 0.77567(8) 0.01378(18) Uani 1 1 d .
C1 C 0.88575(16) 0.56174(13) 0.53962(12) 0.0194(2) Uani 1 1 d .
H1A H 0.982(2) 0.5923(19) 0.6052(17) 0.031(5) Uiso 1 1 d .
H1B H 0.841(2) 0.4784(18) 0.4905(16) 0.026(4) Uiso 1 1 d .
C2 C 0.85418(16) 0.64975(13) 0.49643(11) 0.0187(2) Uani 1 1 d .
H2A H 0.932(2) 0.7415(18) 0.5330(16) 0.027(5) Uiso 1 1 d .
H2B H 0.783(2) 0.6212(17) 0.4183(15) 0.023(4) Uiso 1 1 d .
C10 C 0.87043(14) 0.70394(11) 0.73024(10) 0.0126(2) Uani 1 1 d .
C11 C 1.01164(15) 0.77002(12) 0.92354(10) 0.0186(2) Uani 1 1 d .
H11 H 1.0447 0.7692 0.9983 0.022 Uiso 1 1 calc R
C12 C 1.08112(15) 0.86523(12) 0.89339(10) 0.0181(2) Uani 1 1 d .
H12 H 1.1719 0.9449 0.9428 0.022 Uiso 1 1 calc R
C13 C 0.77486(14) 0.55946(11) 0.82857(10) 0.0149(2) Uani 1 1 d .
C14 C 0.66665(15) 0.56664(12) 0.86768(10) 0.0171(2) Uani 1 1 d .
C15 C 0.56975(16) 0.45763(13) 0.87633(12) 0.0217(3) Uani 1 1 d .
H15 H 0.4950 0.4593 0.9022 0.026 Uiso 1 1 calc R
C16 C 0.58010(18) 0.34706(13) 0.84810(13) 0.0251(3) Uani 1 1 d .
H16 H 0.5129 0.2739 0.8548 0.030 Uiso 1 1 calc R
C17 C 0.68788(17) 0.34273(12) 0.81024(12) 0.0232(3) Uani 1 1 d .
H17 H 0.6936 0.2662 0.7907 0.028 Uiso 1 1 calc R
C18 C 0.78886(15) 0.44916(12) 0.80010(10) 0.0175(2) Uani 1 1 d .
C19 C 0.91114(16) 0.44323(13) 0.76375(11) 0.0205(2) Uani 1 1 d .
H19 H 0.9621 0.5237 0.7525 0.025 Uiso 1 1 calc R
C20 C 0.8347(2) 0.33295(15) 0.65093(13) 0.0293(3) Uani 1 1 d .
H20A H 0.7507 0.3395 0.5930 0.044 Uiso 1 1 calc R
H20B H 0.7890 0.2525 0.6609 0.044 Uiso 1 1 calc R
H20C H 0.9153 0.3362 0.6266 0.044 Uiso 1 1 calc R
C21 C 1.0409(2) 0.4342(2) 0.85661(15) 0.0375(4) Uani 1 1 d .
H21A H 1.0920 0.5078 0.9271 0.056 Uiso 1 1 calc R
H21B H 1.1202 0.4327 0.8323 0.056 Uiso 1 1 calc R
H21C H 0.9936 0.3564 0.8699 0.056 Uiso 1 1 calc R
C22 C 0.65421(17) 0.68721(13) 0.90373(12) 0.0214(2) Uani 1 1 d .
H22 H 0.7013 0.7446 0.8682 0.026 Uiso 1 1 calc R
C23 C 0.74903(19) 0.75585(14) 1.03355(13) 0.0276(3) Uani 1 1 d .
H23A H 0.8612 0.7800 1.0577 0.041 Uiso 1 1 calc R
H23B H 0.7082 0.6993 1.0700 0.041 Uiso 1 1 calc R
H23C H 0.7382 0.8321 1.0558 0.041 Uiso 1 1 calc R
C24 C 0.48210(19) 0.66152(16) 0.86597(13) 0.0291(3) Uani 1 1 d .
H24A H 0.4185 0.6114 0.7841 0.044 Uiso 1 1 calc R
H24B H 0.4796 0.7423 0.8821 0.044 Uiso 1 1 calc R
H24C H 0.4383 0.6145 0.9076 0.044 Uiso 1 1 calc R
C25 C 1.03395(14) 0.91168(11) 0.71953(10) 0.0139(2) Uani 1 1 d .
C26 C 1.17972(14) 0.95078(11) 0.71741(10) 0.0151(2) Uani 1 1 d .
C27 C 1.22559(15) 1.04667(12) 0.67572(11) 0.0186(2) Uani 1 1 d .
H27 H 1.3233 1.0742 0.6725 0.022 Uiso 1 1 calc R
C28 C 1.13116(17) 1.10224(13) 0.63907(12) 0.0222(3) Uani 1 1 d .
H28 H 1.1660 1.1696 0.6137 0.027 Uiso 1 1 calc R
C29 C 0.98587(16) 1.05944(13) 0.63948(12) 0.0213(2) Uani 1 1 d .
H29 H 0.9209 1.0970 0.6128 0.026 Uiso 1 1 calc R
C30 C 0.93261(14) 0.96243(12) 0.67823(10) 0.0162(2) Uani 1 1 d .
C31 C 0.77220(15) 0.91752(12) 0.67676(11) 0.0185(2) Uani 1 1 d .
H31 H 0.7439 0.8352 0.6883 0.022 Uiso 1 1 calc R
C32 C 0.7810(2) 1.01123(18) 0.77468(16) 0.0388(4) Uani 1 1 d .
H32A H 0.8565 1.0173 0.8472 0.058 Uiso 1 1 calc R
H32B H 0.6759 0.9819 0.7711 0.058 Uiso 1 1 calc R
H32C H 0.8164 1.0948 0.7687 0.058 Uiso 1 1 calc R
C33 C 0.64255(19) 0.8934(2) 0.56277(15) 0.0397(4) Uani 1 1 d .
H33A H 0.6420 0.8351 0.5014 0.060 Uiso 1 1 calc R
H33B H 0.6630 0.9738 0.5516 0.060 Uiso 1 1 calc R
H33C H 0.5393 0.8559 0.5620 0.060 Uiso 1 1 calc R
C34 C 1.28815(15) 0.89304(12) 0.75614(11) 0.0178(2) Uani 1 1 d .
H34 H 1.2383 0.8271 0.7839 0.021 Uiso 1 1 calc R
C35 C 1.30817(17) 0.82900(14) 0.65714(12) 0.0241(3) Uani 1 1 d .
H35A H 1.2040 0.7629 0.5958 0.036 Uiso 1 1 calc R
H35B H 1.3764 0.7909 0.6835 0.036 Uiso 1 1 calc R
H35C H 1.3569 0.8923 0.6288 0.036 Uiso 1 1 calc R
C36 C 1.44973(16) 0.99447(14) 0.85442(12) 0.0235(3) Uani 1 1 d .
H36A H 1.5155 0.9548 0.8821 0.035 Uiso 1 1 calc R
H36B H 1.4347 1.0356 0.9164 0.035 Uiso 1 1 calc R
H36C H 1.5025 1.0579 0.8278 0.035 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'
Cl Cl 0.1484 0.1585 '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'
N N 0.0061 0.0033 '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
C10 Rh1 C2 97.21(5) . .
C10 Rh1 C1 91.35(5) . .
C2 Rh1 C1 39.11(5) . .
C10 Rh1 Cl1 93.50(3) . 2_666
C2 Rh1 Cl1 149.76(4) . 2_666
C1 Rh1 Cl1 168.48(4) . 2_666
C10 Rh1 Cl1 173.05(3) . .
C2 Rh1 Cl1 88.13(4) . .
C1 Rh1 Cl1 90.01(4) . .
Cl1 Rh1 Cl1 83.963(11) 2_666 .
Rh1 Cl1 Rh1 96.037(11) 2_666 .
C10 N1 C11 111.66(10) . .
C10 N1 C13 127.19(10) . .
C11 N1 C13 121.08(10) . .
C10 N2 C12 111.59(10) . .
C10 N2 C25 128.78(10) . .
C12 N2 C25 119.44(10) . .
C2 C1 Rh1 69.94(7) . .
C2 C1 H1A 118.1(12) . .
Rh1 C1 H1A 113.3(12) . .
C2 C1 H1B 119.6(11) . .
Rh1 C1 H1B 109.2(11) . .
H1A C1 H1B 116.6(16) . .
C1 C2 Rh1 70.95(7) . .
C1 C2 H2A 121.3(11) . .
Rh1 C2 H2A 114.2(11) . .
C1 C2 H2B 118.6(11) . .
Rh1 C2 H2B 105.7(11) . .
H2A C2 H2B 115.5(15) . .
N2 C10 N1 102.91(10) . .
N2 C10 Rh1 133.08(9) . .
N1 C10 Rh1 123.96(8) . .
C12 C11 N1 106.97(11) . .
C12 C11 H11 126.5 . .
N1 C11 H11 126.5 . .
C11 C12 N2 106.85(11) . .
C11 C12 H12 126.6 . .
N2 C12 H12 126.6 . .
C18 C13 C14 122.66(11) . .
C18 C13 N1 118.97(11) . .
C14 C13 N1 118.24(11) . .
C15 C14 C13 117.23(12) . .
C15 C14 C22 119.24(11) . .
C13 C14 C22 123.50(11) . .
C16 C15 C14 121.42(13) . .
C16 C15 H15 119.3 . .
C14 C15 H15 119.3 . .
C17 C16 C15 120.16(12) . .
C17 C16 H16 119.9 . .
C15 C16 H16 119.9 . .
C16 C17 C18 121.14(12) . .
C16 C17 H17 119.4 . .
C18 C17 H17 119.4 . .
C17 C18 C13 117.39(12) . .
C17 C18 C19 119.84(12) . .
C13 C18 C19 122.73(11) . .
C18 C19 C20 111.56(12) . .
C18 C19 C21 110.72(11) . .
C20 C19 C21 110.70(13) . .
C18 C19 H19 107.9 . .
C20 C19 H19 107.9 . .
C21 C19 H19 107.9 . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C19 C21 H21A 109.5 . .
C19 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C19 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C14 C22 C24 112.76(12) . .
C14 C22 C23 110.22(11) . .
C24 C22 C23 108.89(12) . .
C14 C22 H22 108.3 . .
C24 C22 H22 108.3 . .
C23 C22 H22 108.3 . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C22 C24 H24A 109.5 . .
C22 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C22 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C26 C25 C30 122.34(11) . .
C26 C25 N2 118.23(10) . .
C30 C25 N2 119.19(11) . .
C27 C26 C25 117.69(11) . .
C27 C26 C34 118.80(11) . .
C25 C26 C34 123.50(11) . .
C28 C27 C26 121.16(12) . .
C28 C27 H27 119.4 . .
C26 C27 H27 119.4 . .
C29 C28 C27 119.83(12) . .
C29 C28 H28 120.1 . .
C27 C28 H28 120.1 . .
C28 C29 C30 121.51(12) . .
C28 C29 H29 119.2 . .
C30 C29 H29 119.2 . .
C29 C30 C25 117.38(11) . .
C29 C30 C31 120.00(11) . .
C25 C30 C31 122.61(11) . .
C30 C31 C32 110.62(11) . .
C30 C31 C33 111.80(11) . .
C32 C31 C33 111.34(13) . .
C30 C31 H31 107.6 . .
C32 C31 H31 107.6 . .
C33 C31 H31 107.6 . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C31 C33 H33A 109.5 . .
C31 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C31 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C26 C34 C36 110.43(11) . .
C26 C34 C35 110.80(11) . .
C36 C34 C35 110.51(11) . .
C26 C34 H34 108.3 . .
C36 C34 H34 108.3 . .
C35 C34 H34 108.3 . .
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 . .
C34 C36 H36A 109.5 . .
C34 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C34 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C10 1.9495(12) .
Rh1 C2 2.0907(13) .
Rh1 C1 2.1038(13) .
Rh1 Cl1 2.3945(3) 2_666
Rh1 Cl1 2.4303(3) .
Cl1 Rh1 2.3945(3) 2_666
N1 C10 1.3800(15) .
N1 C11 1.3868(15) .
N1 C13 1.4446(15) .
N2 C10 1.3727(15) .
N2 C12 1.3944(15) .
N2 C25 1.4446(15) .
C1 C2 1.4040(18) .
C1 H1A 0.94(2) .
C1 H1B 0.931(19) .
C2 H2A 0.993(19) .
C2 H2B 0.947(18) .
C11 C12 1.3438(17) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C18 1.4011(17) .
C13 C14 1.4050(17) .
C14 C15 1.3935(17) .
C14 C22 1.5248(18) .
C15 C16 1.384(2) .
C15 H15 0.9500 .
C16 C17 1.381(2) .
C16 H16 0.9500 .
C17 C18 1.3993(18) .
C17 H17 0.9500 .
C18 C19 1.5143(18) .
C19 C20 1.530(2) .
C19 C21 1.530(2) .
C19 H19 1.0000 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 C24 1.535(2) .
C22 C23 1.536(2) .
C22 H22 1.0000 .
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 1.4005(16) .
C25 C30 1.4043(16) .
C26 C27 1.3968(17) .
C26 C34 1.5210(17) .
C27 C28 1.3845(18) .
C27 H27 0.9500 .
C28 C29 1.3840(19) .
C28 H28 0.9500 .
C29 C30 1.3946(18) .
C29 H29 0.9500 .
C30 C31 1.5172(17) .
C31 C32 1.523(2) .
C31 C33 1.524(2) .
C31 H31 1.0000 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C34 C36 1.5304(19) .
C34 C35 1.5318(18) .
C34 H34 1.0000 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
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_4
C2 Rh1 Cl1 Rh1 -150.77(4) . 2_666
C1 Rh1 Cl1 Rh1 170.16(4) . 2_666
Cl1 Rh1 Cl1 Rh1 0.0 2_666 2_666
C10 Rh1 C1 C2 -99.79(8) . .
Cl1 Rh1 C1 C2 145.33(16) 2_666 .
Cl1 Rh1 C1 C2 87.02(7) . .
C10 Rh1 C2 C1 83.22(8) . .
Cl1 Rh1 C2 C1 -166.96(7) 2_666 .
Cl1 Rh1 C2 C1 -92.32(8) . .
C12 N2 C10 N1 1.18(13) . .
C25 N2 C10 N1 -173.66(11) . .
C12 N2 C10 Rh1 -176.23(9) . .
C25 N2 C10 Rh1 8.94(19) . .
C11 N1 C10 N2 -1.64(13) . .
C13 N1 C10 N2 175.19(11) . .
C11 N1 C10 Rh1 176.08(9) . .
C13 N1 C10 Rh1 -7.10(17) . .
C2 Rh1 C10 N2 31.41(12) . .
C1 Rh1 C10 N2 70.21(12) . .
Cl1 Rh1 C10 N2 -120.25(11) 2_666 .
C2 Rh1 C10 N1 -145.55(10) . .
C1 Rh1 C10 N1 -106.75(10) . .
Cl1 Rh1 C10 N1 62.79(10) 2_666 .
C10 N1 C11 C12 1.53(15) . .
C13 N1 C11 C12 -175.52(11) . .
N1 C11 C12 N2 -0.71(15) . .
C10 N2 C12 C11 -0.31(15) . .
C25 N2 C12 C11 175.07(11) . .
C10 N1 C13 C18 81.89(15) . .
C11 N1 C13 C18 -101.55(14) . .
C10 N1 C13 C14 -102.06(14) . .
C11 N1 C13 C14 74.50(15) . .
C18 C13 C14 C15 -0.76(18) . .
N1 C13 C14 C15 -176.65(11) . .
C18 C13 C14 C22 177.40(12) . .
N1 C13 C14 C22 1.50(18) . .
C13 C14 C15 C16 0.3(2) . .
C22 C14 C15 C16 -177.94(13) . .
C14 C15 C16 C17 -0.1(2) . .
C15 C16 C17 C18 0.3(2) . .
C16 C17 C18 C13 -0.7(2) . .
C16 C17 C18 C19 177.07(13) . .
C14 C13 C18 C17 0.97(18) . .
N1 C13 C18 C17 176.84(11) . .
C14 C13 C18 C19 -176.76(12) . .
N1 C13 C18 C19 -0.89(18) . .
C17 C18 C19 C20 54.99(16) . .
C13 C18 C19 C20 -127.34(13) . .
C17 C18 C19 C21 -68.78(17) . .
C13 C18 C19 C21 108.89(15) . .
C15 C14 C22 C24 -41.01(17) . .
C13 C14 C22 C24 140.87(13) . .
C15 C14 C22 C23 80.90(15) . .
C13 C14 C22 C23 -97.22(14) . .
C10 N2 C25 C26 -117.90(13) . .
C12 N2 C25 C26 67.62(15) . .
C10 N2 C25 C30 67.64(16) . .
C12 N2 C25 C30 -106.84(13) . .
C30 C25 C26 C27 2.11(18) . .
N2 C25 C26 C27 -172.17(11) . .
C30 C25 C26 C34 -176.90(11) . .
N2 C25 C26 C34 8.82(17) . .
C25 C26 C27 C28 0.78(19) . .
C34 C26 C27 C28 179.83(12) . .
C26 C27 C28 C29 -2.4(2) . .
C27 C28 C29 C30 1.2(2) . .
C28 C29 C30 C25 1.5(2) . .
C28 C29 C30 C31 -179.66(12) . .
C26 C25 C30 C29 -3.22(18) . .
N2 C25 C30 C29 171.00(11) . .
C26 C25 C30 C31 177.97(11) . .
N2 C25 C30 C31 -7.81(17) . .
C29 C30 C31 C32 -76.82(17) . .
C25 C30 C31 C32 101.96(15) . .
C29 C30 C31 C33 47.89(18) . .
C25 C30 C31 C33 -133.33(14) . .
C27 C26 C34 C36 60.95(15) . .
C25 C26 C34 C36 -120.05(13) . .
C27 C26 C34 C35 -61.82(15) . .
C25 C26 C34 C35 117.18(13) . .
