#------------------------------------------------------------------------------
#$Date: 2019-11-02 06:12:51 +0200 (Sat, 02 Nov 2019) $
#$Revision: 220782 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/12/75/4127565.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_4127565
loop_
_publ_author_name
'Alharis, Raed A.'
'McMullin, Claire L.'
'Davies, David L.'
'Singh, Kuldip'
'Macgregor, Stuart A.'
_publ_section_title
;
 The Importance of Kinetic and Thermodynamic Control when Assessing
 Mechanisms of Carboxylate-Assisted C-H Activation.
;
_journal_issue                   22
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8896
_journal_page_last               8906
_journal_paper_doi               10.1021/jacs.9b02073
_journal_volume                  141
_journal_year                    2019
_chemical_formula_moiety         'C20 H21 Cl F3 N2 Rh, 0.5(C6 H14)'
_chemical_formula_sum            'C23 H28 Cl F3 N2 Rh'
_chemical_formula_weight         527.83
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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                95.293(3)
_cell_angle_beta                 102.089(3)
_cell_angle_gamma                104.111(3)
_cell_formula_units_Z            2
_cell_length_a                   7.8393(15)
_cell_length_b                   11.816(2)
_cell_length_c                   12.944(2)
_cell_measurement_reflns_used    952
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.680
_cell_measurement_theta_min      2.760
_cell_volume                     1124.0(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker Apex 2000 CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0303
_diffrn_reflns_av_sigmaI/netI    0.0466
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9439
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    0.915
_exptl_absorpt_correction_T_max  0.831
_exptl_absorpt_correction_T_min  0.648
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
absorption correction based on 6505 reflections(SADABS);Rint 0.0950 before
correction and 0.0246 after.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.560
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             538
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.167
_refine_diff_density_min         -0.611
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     277
_refine_ls_number_reflns         4802
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0404
_refine_ls_R_factor_gt           0.0348
_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)+(0.0464P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0817
_refine_ls_wR_factor_ref         0.0841
_reflns_number_gt                4295
_reflns_number_total             4802
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja9b02073_si_003.cif
_cod_data_source_block           1b-CF3_13097
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_cell_volume        1123.9(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4127565
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 0.69077(3) 0.764471(17) 0.673061(15) 0.01837(8) Uani 1 1 d .
Cl1 Cl 0.37820(9) 0.70765(6) 0.57698(5) 0.02524(15) Uani 1 1 d .
F1 F 0.5612(4) 1.2658(2) 0.8868(2) 0.0900(10) Uani 1 1 d .
F2 F 0.3802(4) 1.1052(3) 0.8838(2) 0.0895(9) Uani 1 1 d .
F3 F 0.6360(5) 1.1379(3) 0.9760(2) 0.1148(14) Uani 1 1 d .
N1 N 0.7599(3) 0.8339(2) 0.54001(18) 0.0240(5) Uani 1 1 d .
N2 N 0.7451(3) 0.9453(2) 0.53429(18) 0.0233(5) Uani 1 1 d .
C1 C 0.8012(4) 0.7982(3) 0.4508(2) 0.0300(7) Uani 1 1 d .
H1 H 0.8193 0.7230 0.4327 0.036 Uiso 1 1 calc R
C2 C 0.8144(4) 0.8882(3) 0.3867(2) 0.0346(7) Uani 1 1 d .
H2 H 0.8430 0.8857 0.3189 0.042 Uiso 1 1 calc R
C3 C 0.7776(4) 0.9796(3) 0.4416(2) 0.0325(7) Uani 1 1 d .
H3 H 0.7752 1.0537 0.4192 0.039 Uiso 1 1 calc R
C4 C 0.7012(4) 1.0018(2) 0.6224(2) 0.0228(6) Uani 1 1 d .
C5 C 0.6933(4) 1.1173(3) 0.6268(3) 0.0302(7) Uani 1 1 d .
H5 H 0.7192 1.1612 0.5714 0.036 Uiso 1 1 calc R
C6 C 0.6468(4) 1.1678(3) 0.7136(3) 0.0333(7) Uani 1 1 d .
H6 H 0.6425 1.2478 0.7194 0.040 Uiso 1 1 calc R
C7 C 0.6063(4) 1.1015(2) 0.7922(2) 0.0274(6) Uani 1 1 d .
C8 C 0.6147(4) 0.9843(2) 0.7857(2) 0.0246(6) Uani 1 1 d .
H8 H 0.5845 0.9399 0.8400 0.030 Uiso 1 1 calc R
C9 C 0.6666(4) 0.9312(2) 0.7009(2) 0.0217(6) Uani 1 1 d .
C10 C 0.6795(4) 0.5849(2) 0.7175(2) 0.0231(6) Uani 1 1 d .
C11 C 0.6678(4) 0.6684(2) 0.8045(2) 0.0232(6) Uani 1 1 d .
C12 C 0.8345(4) 0.7594(2) 0.8339(2) 0.0219(6) Uani 1 1 d .
C13 C 0.9407(4) 0.7397(2) 0.7598(2) 0.0227(6) Uani 1 1 d .
C14 C 0.8446(4) 0.6271(2) 0.6908(2) 0.0221(6) Uani 1 1 d .
C15 C 0.5347(4) 0.4744(2) 0.6679(2) 0.0296(7) Uani 1 1 d .
H15A H 0.5689 0.4349 0.6086 0.044 Uiso 1 1 calc R
H15B H 0.4205 0.4939 0.6409 0.044 Uiso 1 1 calc R
H15C H 0.5194 0.4218 0.7215 0.044 Uiso 1 1 calc R
C16 C 0.5155(4) 0.6503(3) 0.8595(2) 0.0312(7) Uani 1 1 d .
H16A H 0.5265 0.5916 0.9074 0.047 Uiso 1 1 calc R
H16B H 0.3997 0.6224 0.8060 0.047 Uiso 1 1 calc R
H16C H 0.5204 0.7252 0.9010 0.047 Uiso 1 1 calc R
C17 C 0.8956(4) 0.8559(3) 0.9277(2) 0.0312(7) Uani 1 1 d .
H17A H 0.7900 0.8679 0.9519 0.047 Uiso 1 1 calc R
H17B H 0.9595 0.9291 0.9069 0.047 Uiso 1 1 calc R
H17C H 0.9773 0.8339 0.9859 0.047 Uiso 1 1 calc R
C18 C 1.1278(4) 0.8112(3) 0.7641(2) 0.0312(7) Uani 1 1 d .
H18A H 1.1357 0.8952 0.7803 0.047 Uiso 1 1 calc R
H18B H 1.1563 0.7957 0.6949 0.047 Uiso 1 1 calc R
H18C H 1.2144 0.7897 0.8199 0.047 Uiso 1 1 calc R
C19 C 0.9168(4) 0.5694(3) 0.6078(2) 0.0302(7) Uani 1 1 d .
H19A H 0.9899 0.5198 0.6407 0.045 Uiso 1 1 calc R
H19B H 0.9921 0.6302 0.5776 0.045 Uiso 1 1 calc R
H19C H 0.8155 0.5204 0.5509 0.045 Uiso 1 1 calc R
C20 C 0.5512(4) 1.1534(3) 0.8843(3) 0.0341(7) Uani 1 1 d .
C21 C 0.0448(5) 0.4549(3) 0.9801(3) 0.0458(9) Uani 1 1 d .
H21A H 0.1729 0.4762 1.0208 0.055 Uiso 1 1 calc R
H21B H -0.0156 0.3767 0.9958 0.055 Uiso 1 1 calc R
C22 C 0.0396(5) 0.4445(3) 0.8642(3) 0.0498(9) Uani 1 1 d .
H22A H 0.1020 0.5222 0.8485 0.060 Uiso 1 1 calc R
H22B H -0.0883 0.4243 0.8233 0.060 Uiso 1 1 calc R
C23 C 0.1281(6) 0.3516(4) 0.8253(3) 0.0610(11) Uani 1 1 d .
H23A H 0.2564 0.3729 0.8627 0.092 Uiso 1 1 calc R
H23B H 0.1172 0.3484 0.7482 0.092 Uiso 1 1 calc R
H23C H 0.0670 0.2742 0.8401 0.092 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'
F F 0.0171 0.0103 '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'
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
C9 Rh1 N1 78.50(10) . .
C9 Rh1 C11 113.62(11) . .
N1 Rh1 C11 165.51(10) . .
C9 Rh1 C13 114.33(10) . .
N1 Rh1 C13 103.11(10) . .
C11 Rh1 C13 65.25(11) . .
C9 Rh1 C12 96.58(10) . .
N1 Rh1 C12 135.74(10) . .
C11 Rh1 C12 38.73(10) . .
C13 Rh1 C12 38.85(10) . .
C9 Rh1 C10 152.20(11) . .
N1 Rh1 C10 129.30(10) . .
C11 Rh1 C10 38.88(10) . .
C13 Rh1 C10 63.74(10) . .
C12 Rh1 C10 64.00(10) . .
C9 Rh1 C14 153.02(10) . .
N1 Rh1 C14 101.87(10) . .
C11 Rh1 C14 63.69(10) . .
C13 Rh1 C14 38.88(10) . .
C12 Rh1 C14 64.01(10) . .
C10 Rh1 C14 36.27(10) . .
C9 Rh1 Cl1 87.38(8) . .
N1 Rh1 Cl1 89.02(7) . .
C11 Rh1 Cl1 99.14(8) . .
C13 Rh1 Cl1 156.67(8) . .
C12 Rh1 Cl1 135.04(8) . .
C10 Rh1 Cl1 93.12(7) . .
C14 Rh1 Cl1 119.56(7) . .
C1 N1 N2 106.4(2) . .
C1 N1 Rh1 138.8(2) . .
N2 N1 Rh1 114.46(17) . .
C3 N2 N1 110.6(2) . .
C3 N2 C4 133.0(3) . .
N1 N2 C4 116.4(2) . .
N1 C1 C2 109.9(3) . .
N1 C1 H1 125.1 . .
C2 C1 H1 125.1 . .
C3 C2 C1 105.9(3) . .
C3 C2 H2 127.0 . .
C1 C2 H2 127.0 . .
N2 C3 C2 107.2(3) . .
N2 C3 H3 126.4 . .
C2 C3 H3 126.4 . .
C5 C4 C9 124.5(3) . .
C5 C4 N2 120.7(3) . .
C9 C4 N2 114.8(2) . .
C4 C5 C6 118.5(3) . .
C4 C5 H5 120.8 . .
C6 C5 H5 120.8 . .
C5 C6 C7 119.7(3) . .
C5 C6 H6 120.2 . .
C7 C6 H6 120.2 . .
C6 C7 C8 120.8(3) . .
C6 C7 C20 120.3(3) . .
C8 C7 C20 118.9(3) . .
C9 C8 C7 121.2(3) . .
C9 C8 H8 119.4 . .
C7 C8 H8 119.4 . .
C8 C9 C4 115.3(2) . .
C8 C9 Rh1 129.0(2) . .
C4 C9 Rh1 115.6(2) . .
C14 C10 C11 108.6(2) . .
C14 C10 C15 127.6(3) . .
C11 C10 C15 123.9(3) . .
C14 C10 Rh1 72.32(15) . .
C11 C10 Rh1 67.21(15) . .
C15 C10 Rh1 125.90(19) . .
C12 C11 C10 107.6(2) . .
C12 C11 C16 127.5(3) . .
C10 C11 C16 124.5(3) . .
C12 C11 Rh1 71.34(15) . .
C10 C11 Rh1 73.91(15) . .
C16 C11 Rh1 126.1(2) . .
C11 C12 C13 107.9(2) . .
C11 C12 C17 127.3(3) . .
C13 C12 C17 124.8(3) . .
C11 C12 Rh1 69.93(15) . .
C13 C12 Rh1 69.91(15) . .
C17 C12 Rh1 127.87(19) . .
C12 C13 C14 107.6(2) . .
C12 C13 C18 125.6(2) . .
C14 C13 C18 126.1(2) . .
C12 C13 Rh1 71.24(15) . .
C14 C13 Rh1 74.30(15) . .
C18 C13 Rh1 127.2(2) . .
C10 C14 C13 108.0(2) . .
C10 C14 C19 127.4(2) . .
C13 C14 C19 124.6(3) . .
C10 C14 Rh1 71.40(15) . .
C13 C14 Rh1 66.82(14) . .
C19 C14 Rh1 127.8(2) . .
C10 C15 H15A 109.5 . .
C10 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C10 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C11 C16 H16A 109.5 . .
C11 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C11 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C12 C17 H17A 109.5 . .
C12 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C12 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C13 C18 H18A 109.5 . .
C13 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C13 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C14 C19 H19A 109.5 . .
C14 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C14 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
F3 C20 F1 108.5(3) . .
F3 C20 F2 102.5(3) . .
F1 C20 F2 103.5(3) . .
F3 C20 C7 114.6(3) . .
F1 C20 C7 113.8(3) . .
F2 C20 C7 112.9(3) . .
C22 C21 C21 114.8(4) . 2_567
C22 C21 H21A 108.6 . .
C21 C21 H21A 108.6 2_567 .
C22 C21 H21B 108.6 . .
C21 C21 H21B 108.6 2_567 .
H21A C21 H21B 107.5 . .
C21 C22 C23 114.0(3) . .
C21 C22 H22A 108.7 . .
C23 C22 H22A 108.7 . .
C21 C22 H22B 108.7 . .
C23 C22 H22B 108.7 . .
H22A C22 H22B 107.6 . .
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 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C9 2.032(3) .
Rh1 N1 2.090(2) .
Rh1 C11 2.145(3) .
Rh1 C13 2.146(3) .
Rh1 C12 2.163(3) .
Rh1 C10 2.235(3) .
Rh1 C14 2.247(3) .
Rh1 Cl1 2.4019(8) .
F1 C20 1.308(4) .
F2 C20 1.320(4) .
F3 C20 1.285(4) .
N1 C1 1.323(4) .
N1 N2 1.357(3) .
N2 C3 1.355(4) .
N2 C4 1.414(4) .
C1 C2 1.405(4) .
C1 H1 0.9500 .
C2 C3 1.361(5) .
C2 H2 0.9500 .
C3 H3 0.9500 .
C4 C5 1.377(4) .
C4 C9 1.402(4) .
C5 C6 1.381(4) .
C5 H5 0.9500 .
C6 C7 1.382(4) .
C6 H6 0.9500 .
C7 C8 1.398(4) .
C7 C20 1.481(4) .
C8 C9 1.395(4) .
C8 H8 0.9500 .
C10 C14 1.395(4) .
C10 C11 1.460(4) .
C10 C15 1.491(4) .
C11 C12 1.428(4) .
C11 C16 1.496(4) .
C12 C13 1.433(4) .
C12 C17 1.496(4) .
C13 C14 1.465(4) .
C13 C18 1.491(4) .
C14 C19 1.499(4) .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C21 C22 1.485(5) .
C21 C21 1.519(7) 2_567
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.534(5) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 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
C9 Rh1 N1 C1 -175.9(3) .
C11 Rh1 N1 C1 36.2(6) .
C13 Rh1 N1 C1 71.5(3) .
C12 Rh1 N1 C1 96.4(3) .
C10 Rh1 N1 C1 4.8(3) .
C14 Rh1 N1 C1 31.7(3) .
Cl1 Rh1 N1 C1 -88.4(3) .
C9 Rh1 N1 N2 -3.64(17) .
C11 Rh1 N1 N2 -151.5(3) .
C13 Rh1 N1 N2 -116.23(18) .
C12 Rh1 N1 N2 -91.3(2) .
C10 Rh1 N1 N2 177.12(16) .
C14 Rh1 N1 N2 -156.07(17) .
Cl1 Rh1 N1 N2 83.89(17) .
C1 N1 N2 C3 -0.2(3) .
Rh1 N1 N2 C3 -174.89(18) .
C1 N1 N2 C4 -180.0(2) .
Rh1 N1 N2 C4 5.3(3) .
N2 N1 C1 C2 0.4(3) .
Rh1 N1 C1 C2 173.0(2) .
N1 C1 C2 C3 -0.4(3) .
N1 N2 C3 C2 -0.1(3) .
C4 N2 C3 C2 179.6(3) .
C1 C2 C3 N2 0.3(3) .
C3 N2 C4 C5 -3.4(5) .
N1 N2 C4 C5 176.3(2) .
C3 N2 C4 C9 176.1(3) .
N1 N2 C4 C9 -4.2(3) .
C9 C4 C5 C6 -0.6(4) .
N2 C4 C5 C6 178.9(3) .
C4 C5 C6 C7 -1.2(4) .
C5 C6 C7 C8 1.0(4) .
C5 C6 C7 C20 -178.3(3) .
C6 C7 C8 C9 1.0(4) .
C20 C7 C8 C9 -179.7(3) .
C7 C8 C9 C4 -2.6(4) .
C7 C8 C9 Rh1 179.7(2) .
C5 C4 C9 C8 2.4(4) .
N2 C4 C9 C8 -177.1(2) .
C5 C4 C9 Rh1 -179.5(2) .
N2 C4 C9 Rh1 1.0(3) .
N1 Rh1 C9 C8 179.1(3) .
C11 Rh1 C9 C8 -9.3(3) .
C13 Rh1 C9 C8 -81.6(3) .
C12 Rh1 C9 C8 -45.5(3) .
C10 Rh1 C9 C8 -2.2(4) .
C14 Rh1 C9 C8 -87.3(3) .
Cl1 Rh1 C9 C8 89.6(2) .
N1 Rh1 C9 C4 1.37(19) .
C11 Rh1 C9 C4 173.01(19) .
C13 Rh1 C9 C4 100.7(2) .
C12 Rh1 C9 C4 136.8(2) .
C10 Rh1 C9 C4 -179.88(19) .
C14 Rh1 C9 C4 95.0(3) .
Cl1 Rh1 C9 C4 -88.2(2) .
C9 Rh1 C10 C14 -130.2(2) .
N1 Rh1 C10 C14 48.2(2) .
C11 Rh1 C10 C14 -119.8(2) .
C13 Rh1 C10 C14 -37.35(16) .
C12 Rh1 C10 C14 -80.83(17) .
Cl1 Rh1 C10 C14 139.54(15) .
C9 Rh1 C10 C11 -10.4(3) .
N1 Rh1 C10 C11 168.01(15) .
C13 Rh1 C10 C11 82.42(17) .
C12 Rh1 C10 C11 38.93(16) .
C14 Rh1 C10 C11 119.8(2) .
Cl1 Rh1 C10 C11 -100.70(15) .
C9 Rh1 C10 C15 105.8(3) .
N1 Rh1 C10 C15 -75.8(3) .
C11 Rh1 C10 C15 116.2(3) .
C13 Rh1 C10 C15 -161.4(3) .
C12 Rh1 C10 C15 155.2(3) .
C14 Rh1 C10 C15 -124.0(3) .
Cl1 Rh1 C10 C15 15.5(2) .
C14 C10 C11 C12 -3.1(3) .
C15 C10 C11 C12 177.2(2) .
Rh1 C10 C11 C12 -63.82(18) .
C14 C10 C11 C16 -176.2(3) .
C15 C10 C11 C16 4.1(4) .
Rh1 C10 C11 C16 123.0(3) .
C14 C10 C11 Rh1 60.75(19) .
C15 C10 C11 Rh1 -118.9(3) .
C9 Rh1 C11 C12 -69.79(18) .
N1 Rh1 C11 C12 75.5(4) .
C13 Rh1 C11 C12 37.27(15) .
C10 Rh1 C11 C12 115.5(2) .
C14 Rh1 C11 C12 80.53(17) .
Cl1 Rh1 C11 C12 -160.92(14) .
C9 Rh1 C11 C10 174.72(15) .
N1 Rh1 C11 C10 -40.0(5) .
C13 Rh1 C11 C10 -78.21(17) .
C12 Rh1 C11 C10 -115.5(2) .
C14 Rh1 C11 C10 -34.96(15) .
Cl1 Rh1 C11 C10 83.59(15) .
C9 Rh1 C11 C16 53.5(3) .
N1 Rh1 C11 C16 -161.2(3) .
C13 Rh1 C11 C16 160.6(3) .
C12 Rh1 C11 C16 123.3(3) .
C10 Rh1 C11 C16 -121.2(3) .
C14 Rh1 C11 C16 -156.2(3) .
Cl1 Rh1 C11 C16 -37.6(3) .
C10 C11 C12 C13 5.6(3) .
C16 C11 C12 C13 178.5(3) .
Rh1 C11 C12 C13 -59.88(18) .
C10 C11 C12 C17 -171.6(2) .
C16 C11 C12 C17 1.3(5) .
Rh1 C11 C12 C17 122.9(3) .
C10 C11 C12 Rh1 65.52(18) .
C16 C11 C12 Rh1 -121.6(3) .
C9 Rh1 C12 C11 120.06(16) .
N1 Rh1 C12 C11 -159.68(15) .
C13 Rh1 C12 C11 -118.8(2) .
C10 Rh1 C12 C11 -39.08(15) .
C14 Rh1 C12 C11 -79.60(17) .
Cl1 Rh1 C12 C11 27.17(19) .
C9 Rh1 C12 C13 -121.18(17) .
N1 Rh1 C12 C13 -40.9(2) .
C11 Rh1 C12 C13 118.8(2) .
C10 Rh1 C12 C13 79.68(17) .
C14 Rh1 C12 C13 39.15(16) .
Cl1 Rh1 C12 C13 145.93(13) .
C9 Rh1 C12 C17 -2.1(3) .
N1 Rh1 C12 C17 78.1(3) .
C11 Rh1 C12 C17 -122.2(3) .
C13 Rh1 C12 C17 119.0(3) .
C10 Rh1 C12 C17 -161.3(3) .
C14 Rh1 C12 C17 158.2(3) .
Cl1 Rh1 C12 C17 -95.0(3) .
C11 C12 C13 C14 -6.1(3) .
C17 C12 C13 C14 171.2(2) .
Rh1 C12 C13 C14 -65.95(18) .
C11 C12 C13 C18 -177.2(3) .
C17 C12 C13 C18 0.1(4) .
Rh1 C12 C13 C18 122.9(3) .
C11 C12 C13 Rh1 59.89(18) .
C17 C12 C13 Rh1 -122.8(3) .
C9 Rh1 C13 C12 68.86(18) .
N1 Rh1 C13 C12 152.00(15) .
C11 Rh1 C13 C12 -37.15(16) .
C10 Rh1 C13 C12 -80.40(17) .
C14 Rh1 C13 C12 -115.3(2) .
Cl1 Rh1 C13 C12 -88.3(2) .
C9 Rh1 C13 C14 -175.87(16) .
N1 Rh1 C13 C14 -92.73(16) .
C11 Rh1 C13 C14 78.12(17) .
C12 Rh1 C13 C14 115.3(2) .
C10 Rh1 C13 C14 34.88(15) .
Cl1 Rh1 C13 C14 27.0(3) .
C9 Rh1 C13 C18 -52.1(3) .
N1 Rh1 C13 C18 31.0(3) .
C11 Rh1 C13 C18 -158.1(3) .
C12 Rh1 C13 C18 -121.0(3) .
C10 Rh1 C13 C18 158.6(3) .
C14 Rh1 C13 C18 123.8(3) .
Cl1 Rh1 C13 C18 150.77(18) .
C11 C10 C14 C13 -0.7(3) .
C15 C10 C14 C13 179.0(3) .
Rh1 C10 C14 C13 56.91(18) .
C11 C10 C14 C19 178.6(3) .
C15 C10 C14 C19 -1.7(5) .
Rh1 C10 C14 C19 -123.8(3) .
C11 C10 C14 Rh1 -57.60(18) .
C15 C10 C14 Rh1 122.1(3) .
C12 C13 C14 C10 4.2(3) .
C18 C13 C14 C10 175.3(3) .
Rh1 C13 C14 C10 -59.74(19) .
C12 C13 C14 C19 -175.1(3) .
C18 C13 C14 C19 -4.0(4) .
Rh1 C13 C14 C19 121.0(3) .
C12 C13 C14 Rh1 63.92(18) .
C18 C13 C14 Rh1 -125.0(3) .
C9 Rh1 C14 C10 128.2(2) .
N1 Rh1 C14 C10 -143.85(16) .
C11 Rh1 C14 C10 37.43(16) .
C13 Rh1 C14 C10 119.9(2) .
C12 Rh1 C14 C10 80.79(17) .
Cl1 Rh1 C14 C10 -48.16(17) .
C9 Rh1 C14 C13 8.3(3) .
N1 Rh1 C14 C13 96.24(16) .
C11 Rh1 C14 C13 -82.48(17) .
C12 Rh1 C14 C13 -39.13(16) .
C10 Rh1 C14 C13 -119.9(2) .
Cl1 Rh1 C14 C13 -168.07(13) .
C9 Rh1 C14 C19 -108.4(3) .
N1 Rh1 C14 C19 -20.5(3) .
C11 Rh1 C14 C19 160.8(3) .
C13 Rh1 C14 C19 -116.7(3) .
C12 Rh1 C14 C19 -155.9(3) .
C10 Rh1 C14 C19 123.4(3) .
Cl1 Rh1 C14 C19 75.2(3) .
C6 C7 C20 F3 -131.2(4) .
C8 C7 C20 F3 49.5(4) .
C6 C7 C20 F1 -5.6(4) .
C8 C7 C20 F1 175.1(3) .
C6 C7 C20 F2 112.0(3) .
C8 C7 C20 F2 -67.3(4) .
C21 C21 C22 C23 -179.1(4) 2_567
