#------------------------------------------------------------------------------
#$Date: 2021-09-06 13:54:56 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268712 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/77/7707701.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_7707701
loop_
_publ_author_name
'Fu, Li-Jie'
'An, Bo-Hsun'
'Chou, Chih-Hsuan'
'Chen, Chi-Min'
'To, Ching Tat'
_publ_section_title
;
 Base-promoted perfluoroalkylation of rhodium(III) porphyrin complexes.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9949
_journal_page_last               9957
_journal_paper_doi               10.1039/d1dt01118a
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C64 H64 F7 N4 O Rh, C H Cl3, 0.15(H2 O)'
_chemical_formula_sum            'C65 H65.3 Cl3 F7 N4 O1.15 Rh'
_chemical_formula_weight         1263.17
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-06-09 deposited with the CCDC.	2021-06-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 107.663(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.8018(8)
_cell_length_b                   29.3344(15)
_cell_length_c                   14.4536(7)
_cell_measurement_reflns_used    9935
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.997
_cell_measurement_theta_min      2.706
_cell_volume                     5979.9(5)
_computing_cell_refinement       'SAINT V7.34A (Bruker AXS, 2006)'
_computing_data_collection       'APEX2 (Bruker AXS, 2010)'
_computing_data_reduction        'SAINT V7.34A (Bruker AXS, 2006)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.949
_diffrn_measured_fraction_theta_max 0.922
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_av_unetI/netI     0.0651
_diffrn_reflns_Laue_measured_fraction_full 0.949
_diffrn_reflns_Laue_measured_fraction_max 0.922
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            13323
_diffrn_reflns_point_group_measured_fraction_full 0.949
_diffrn_reflns_point_group_measured_fraction_max 0.922
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         28.004
_diffrn_reflns_theta_min         2.460
_exptl_absorpt_coefficient_mu    0.488
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6262
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_crystal_density_diffrn    1.403
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             2606
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_exptl_crystal_size_max          0.560
_exptl_crystal_size_mid          0.350
_exptl_crystal_size_min          0.120
_refine_diff_density_max         1.674
_refine_diff_density_min         -1.312
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.962
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     744
_refine_ls_number_reflns         13323
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.962
_refine_ls_R_factor_all          0.0890
_refine_ls_R_factor_gt           0.0674
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1177P)²+28.7547P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1916
_refine_ls_wR_factor_ref         0.2062
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10365
_reflns_number_total             13323
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt01118a2.cif
_cod_data_source_block           mo_BHA044_1_0m_4a_a
_cod_depositor_comments
'Adding full bibliography for 7707701--7707702.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C65 H65.30 Cl3 F7 N4 O1.15 Rh'
_cod_database_code               7707701
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.828
_shelx_estimated_absorpt_t_max   0.959
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh Rh 0.27580(2) 0.73261(2) 0.29670(2) 0.01649(11) Uani 1 1 d . . . . .
F1 F 0.1534(2) 0.74154(9) 0.4113(2) 0.0343(7) Uani 1 1 d . . . . .
F2 F 0.2924(2) 0.71544(10) 0.49173(19) 0.0331(6) Uani 1 1 d . . . . .
F3 F 0.1073(2) 0.65926(10) 0.3204(2) 0.0321(6) Uani 1 1 d . . . . .
F4 F 0.2481(2) 0.63298(8) 0.4000(2) 0.0324(6) Uani 1 1 d . . . . .
F5 F 0.0798(2) 0.67952(11) 0.4964(2) 0.0429(8) Uani 1 1 d . . . . .
F6 F 0.2171(2) 0.65126(11) 0.5704(2) 0.0418(7) Uani 1 1 d . . . . .
F7 F 0.1098(2) 0.60982(10) 0.4742(2) 0.0414(7) Uani 1 1 d . . . . .
O1 O 0.3413(2) 0.75698(10) 0.1856(2) 0.0227(6) Uani 1 1 d . . . . .
H1A H 0.314(4) 0.7627(17) 0.132(4) 0.027(15) Uiso 1 1 d . . . . .
N1 N 0.4056(2) 0.70616(11) 0.3684(2) 0.0177(7) Uani 1 1 d . . . . .
N2 N 0.3124(2) 0.79184(11) 0.3705(2) 0.0182(7) Uani 1 1 d . . . . .
N3 N 0.1484(3) 0.75995(11) 0.2194(3) 0.0195(7) Uani 1 1 d . . . . .
N4 N 0.2433(2) 0.67526(11) 0.2134(2) 0.0180(7) Uani 1 1 d . . . . .
C1 C 0.4356(3) 0.66255(13) 0.3590(3) 0.0178(8) Uani 1 1 d . . . . .
C2 C 0.5234(3) 0.65436(14) 0.4336(3) 0.0249(9) Uani 1 1 d . . . . .
H2A H 0.558758 0.626801 0.443918 0.030 Uiso 1 1 calc R U . . .
C3 C 0.5465(3) 0.69287(14) 0.4863(3) 0.0232(9) Uani 1 1 d . . . . .
H3A H 0.601287 0.697551 0.540422 0.028 Uiso 1 1 calc R U . . .
C4 C 0.4721(3) 0.72588(13) 0.4449(3) 0.0185(8) Uani 1 1 d . . . . .
C5 C 0.4700(3) 0.77030(13) 0.4793(3) 0.0195(8) Uani 1 1 d . . . . .
C6 C 0.3958(3) 0.80109(14) 0.4420(3) 0.0225(9) Uani 1 1 d . . . . .
C7 C 0.3960(3) 0.84813(14) 0.4707(3) 0.0264(9) Uani 1 1 d . . . . .
H7A H 0.445909 0.863450 0.517594 0.032 Uiso 1 1 calc R U . . .
C8 C 0.3123(3) 0.86643(14) 0.4188(3) 0.0263(9) Uani 1 1 d . . . . .
H8A H 0.292133 0.896883 0.423135 0.032 Uiso 1 1 calc R U . . .
C9 C 0.2590(3) 0.83124(13) 0.3556(3) 0.0201(8) Uani 1 1 d . . . . .
C10 C 0.1677(3) 0.83635(13) 0.2943(3) 0.0202(8) Uani 1 1 d . . . . .
C11 C 0.1149(3) 0.80195(13) 0.2353(3) 0.0196(8) Uani 1 1 d . . . . .
C12 C 0.0159(3) 0.80570(14) 0.1792(3) 0.0232(9) Uani 1 1 d . . . . .
H12A H -0.024372 0.831120 0.177312 0.028 Uiso 1 1 calc R U . . .
C13 C -0.0081(3) 0.76628(14) 0.1302(3) 0.0230(9) Uani 1 1 d . . . . .
H13A H -0.069097 0.758650 0.087984 0.028 Uiso 1 1 calc R U . . .
C14 C 0.0752(3) 0.73764(13) 0.1531(3) 0.0190(8) Uani 1 1 d . . . . .
C15 C 0.0817(3) 0.69552(14) 0.1111(3) 0.0210(8) Uani 1 1 d . . . . .
C16 C 0.1614(3) 0.66758(14) 0.1382(3) 0.0210(8) Uani 1 1 d . . . . .
C17 C 0.1703(3) 0.62459(14) 0.0931(3) 0.0270(9) Uani 1 1 d . . . . .
H17A H 0.125070 0.611484 0.038218 0.032 Uiso 1 1 calc R U . . .
C18 C 0.2552(3) 0.60639(14) 0.1434(3) 0.0257(9) Uani 1 1 d . . . . .
H18A H 0.280045 0.577942 0.131147 0.031 Uiso 1 1 calc R U . . .
C19 C 0.3004(3) 0.63824(13) 0.2187(3) 0.0191(8) Uani 1 1 d . . . . .
C20 C 0.3881(3) 0.63093(13) 0.2882(3) 0.0202(8) Uani 1 1 d . . . . .
C21 C 0.5525(3) 0.78550(14) 0.5629(3) 0.0217(8) Uani 1 1 d . . . . .
C22 C 0.5387(3) 0.79705(14) 0.6514(3) 0.0243(9) Uani 1 1 d . . . . .
H22A H 0.476837 0.795675 0.658011 0.029 Uiso 1 1 calc R U . . .
C23 C 0.6142(3) 0.81046(15) 0.7295(3) 0.0260(9) Uani 1 1 d . . . . .
H23A H 0.603117 0.817336 0.789378 0.031 Uiso 1 1 calc R U . . .
C24 C 0.7060(3) 0.81422(15) 0.7232(3) 0.0272(9) Uani 1 1 d . . . . .
C25 C 0.7190(3) 0.80303(17) 0.6339(4) 0.0326(10) Uani 1 1 d . . . . .
H25A H 0.780609 0.805119 0.626867 0.039 Uiso 1 1 calc R U . . .
C26 C 0.6441(3) 0.78899(16) 0.5557(4) 0.0305(10) Uani 1 1 d . . . . .
H26A H 0.655274 0.781614 0.496083 0.037 Uiso 1 1 calc R U . . .
C27 C 0.7863(3) 0.83164(18) 0.8105(4) 0.0360(12) Uani 1 1 d . . . . .
C28 C 0.7869(4) 0.8061(2) 0.9033(4) 0.0497(15) Uani 1 1 d . . . . .
H28A H 0.724967 0.809379 0.914073 0.075 Uiso 1 1 calc R U . . .
H28B H 0.799959 0.773753 0.896433 0.075 Uiso 1 1 calc R U . . .
H28C H 0.836205 0.818916 0.958752 0.075 Uiso 1 1 calc R U . . .
C29 C 0.7681(5) 0.8823(2) 0.8247(6) 0.065(2) Uani 1 1 d . . . . .
H29A H 0.767449 0.899287 0.766100 0.097 Uiso 1 1 calc R U . . .
H29B H 0.706808 0.885777 0.836734 0.097 Uiso 1 1 calc R U . . .
H29C H 0.818549 0.894195 0.880295 0.097 Uiso 1 1 calc R U . . .
C30 C 0.8834(4) 0.8264(3) 0.7942(5) 0.0556(17) Uani 1 1 d . . . . .
H30A H 0.883365 0.842651 0.734984 0.083 Uiso 1 1 calc R U . . .
H30B H 0.932583 0.839159 0.849789 0.083 Uiso 1 1 calc R U . . .
H30C H 0.896337 0.793996 0.787471 0.083 Uiso 1 1 calc R U . . .
C31 C 0.1196(3) 0.88215(13) 0.2882(3) 0.0221(9) Uani 1 1 d . . . . .
C32 C 0.0553(4) 0.89116(16) 0.3363(4) 0.0322(10) Uani 1 1 d . . . . .
H32A H 0.041540 0.868529 0.377060 0.039 Uiso 1 1 calc R U . . .
C33 C 0.0097(4) 0.93314(17) 0.3262(4) 0.0361(11) Uani 1 1 d . . . . .
H33A H -0.033324 0.938839 0.362095 0.043 Uiso 1 1 calc R U . . .
C34 C 0.0245(4) 0.96623(16) 0.2668(5) 0.0426(14) Uani 1 1 d . . . . .
C35 C 0.0881(5) 0.95670(19) 0.2155(6) 0.061(2) Uani 1 1 d . . . . .
H35A H 0.097604 0.978495 0.170734 0.073 Uiso 1 1 calc R U . . .
C36 C 0.1380(5) 0.91559(17) 0.2287(5) 0.0493(16) Uani 1 1 d . . . . .
H36A H 0.184670 0.910561 0.196826 0.059 Uiso 1 1 calc R U . . .
C37 C -0.0298(5) 1.0115(2) 0.2504(8) 0.0809(17) Uani 1 1 d . U . . .
C38 C -0.0634(6) 1.0231(2) 0.3415(8) 0.0879(15) Uani 1 1 d . U . . .
H38A H -0.101943 0.997949 0.353472 0.132 Uiso 1 1 calc R U . . .
H38B H -0.007815 1.027401 0.398522 0.132 Uiso 1 1 calc R U . . .
H38C H -0.101173 1.051126 0.328995 0.132 Uiso 1 1 calc R U . . .
C39 C 0.0281(6) 1.0511(2) 0.2367(9) 0.0879(15) Uani 1 1 d . U . . .
H39A H 0.084836 1.053691 0.293055 0.132 Uiso 1 1 calc R U . . .
H39B H 0.046962 1.046402 0.177968 0.132 Uiso 1 1 calc R U . . .
H39C H -0.009475 1.079050 0.229974 0.132 Uiso 1 1 calc R U . . .
C40 C -0.1183(6) 1.0066(2) 0.1641(8) 0.0879(15) Uani 1 1 d . U . . .
H40A H -0.155360 0.980447 0.174440 0.132 Uiso 1 1 calc R U . . .
H40B H -0.156557 1.034351 0.157049 0.132 Uiso 1 1 calc R U . . .
H40C H -0.100121 1.001703 0.105044 0.132 Uiso 1 1 calc R U . . .
C41 C -0.0033(3) 0.68062(14) 0.0301(3) 0.0228(9) Uani 1 1 d . . . . .
C42 C -0.0340(3) 0.70481(16) -0.0551(3) 0.0290(10) Uani 1 1 d . . . . .
H42A H -0.000683 0.731510 -0.062844 0.035 Uiso 1 1 calc R U . . .
C43 C -0.1133(3) 0.69103(16) -0.1307(3) 0.0302(10) Uani 1 1 d . . . . .
H43A H -0.132623 0.708419 -0.188897 0.036 Uiso 1 1 calc R U . . .
C44 C -0.1643(3) 0.65237(17) -0.1222(4) 0.0319(11) Uani 1 1 d . . . . .
C45 C -0.1345(4) 0.62852(17) -0.0351(4) 0.0374(12) Uani 1 1 d . . . . .
H45A H -0.168712 0.602247 -0.026660 0.045 Uiso 1 1 calc R U . . .
C46 C -0.0553(3) 0.64239(15) 0.0404(4) 0.0291(10) Uani 1 1 d . . . . .
H46A H -0.036746 0.625577 0.099313 0.035 Uiso 1 1 calc R U . . .
C47 C -0.2515(4) 0.63808(19) -0.2058(4) 0.0394(12) Uani 1 1 d . . . . .
C48 C -0.3294(5) 0.6726(3) -0.2185(6) 0.072(2) Uani 1 1 d . . . . .
H48A H -0.305715 0.702870 -0.228088 0.108 Uiso 1 1 calc R U . . .
H48B H -0.382797 0.664509 -0.275285 0.108 Uiso 1 1 calc R U . . .
H48C H -0.350518 0.672894 -0.160481 0.108 Uiso 1 1 calc R U . . .
C49 C -0.2267(5) 0.6369(3) -0.3023(5) 0.0612(19) Uani 1 1 d . . . . .
H49A H -0.175910 0.614711 -0.297225 0.092 Uiso 1 1 calc R U . . .
H49B H -0.282952 0.628040 -0.355328 0.092 Uiso 1 1 calc R U . . .
H49C H -0.205553 0.667178 -0.315599 0.092 Uiso 1 1 calc R U . . .
C50 C -0.2844(5) 0.5901(2) -0.1906(6) 0.070(2) Uani 1 1 d . . . . .
H50A H -0.231947 0.568625 -0.182555 0.105 Uiso 1 1 calc R U . . .
H50B H -0.305130 0.589678 -0.132262 0.105 Uiso 1 1 calc R U . . .
H50C H -0.337410 0.581293 -0.247066 0.105 Uiso 1 1 calc R U . . .
C51 C 0.4334(3) 0.58497(14) 0.2924(3) 0.0232(9) Uani 1 1 d . . . . .
C52 C 0.5120(4) 0.57775(16) 0.2607(4) 0.0321(10) Uani 1 1 d . . . . .
H52A H 0.533735 0.601547 0.228251 0.039 Uiso 1 1 calc R U . . .
C53 C 0.5594(4) 0.53621(16) 0.2760(4) 0.0363(12) Uani 1 1 d . . . . .
H53A H 0.613095 0.532240 0.253881 0.044 Uiso 1 1 calc R U . . .
C54 C 0.5300(3) 0.50021(14) 0.3229(4) 0.0285(10) Uani 1 1 d . . . . .
C55 C 0.4491(4) 0.50690(15) 0.3495(4) 0.0303(10) Uani 1 1 d . . . . .
H55A H 0.425537 0.482601 0.379016 0.036 Uiso 1 1 calc R U . . .
C56 C 0.4009(3) 0.54841(15) 0.3341(4) 0.0293(10) Uani 1 1 d . . . . .
H56A H 0.344813 0.551684 0.352475 0.035 Uiso 1 1 calc R U . . .
C57 C 0.5904(4) 0.45670(15) 0.3461(4) 0.0359(12) Uani 1 1 d . . . . .
C58 C 0.5971(5) 0.4354(2) 0.2510(5) 0.0546(17) Uani 1 1 d . . . . .
H58A H 0.533369 0.427378 0.209486 0.082 Uiso 1 1 calc R U . . .
H58B H 0.625753 0.457309 0.217162 0.082 Uiso 1 1 calc R U . . .
H58C H 0.636295 0.407823 0.265895 0.082 Uiso 1 1 calc R U . . .
C59 C 0.5491(4) 0.42116(17) 0.3991(4) 0.0418(13) Uani 1 1 d . . . . .
H59A H 0.485871 0.412223 0.357996 0.063 Uiso 1 1 calc R U . . .
H59B H 0.590514 0.394336 0.413197 0.063 Uiso 1 1 calc R U . . .
H59C H 0.544504 0.434108 0.459959 0.063 Uiso 1 1 calc R U . . .
C60 C 0.6884(4) 0.4695(2) 0.4124(6) 0.0550(17) Uani 1 1 d . . . . .
H60A H 0.716707 0.492388 0.380262 0.083 Uiso 1 1 calc R U . . .
H60B H 0.682696 0.482115 0.473247 0.083 Uiso 1 1 calc R U . . .
H60C H 0.728706 0.442343 0.426485 0.083 Uiso 1 1 calc R U . . .
C61 C 0.2233(3) 0.71280(13) 0.4023(3) 0.0199(8) Uani 1 1 d . . . . .
C62 C 0.1817(3) 0.66447(14) 0.4003(3) 0.0220(8) Uani 1 1 d . . . . .
C63 C 0.1463(3) 0.65179(16) 0.4876(4) 0.0290(10) Uani 1 1 d . . . . .
C64 C 0.4103(4) 0.79296(16) 0.2059(4) 0.0307(10) Uani 1 1 d . . . . .
H64A H 0.430457 0.798704 0.148391 0.046 Uiso 1 1 calc R U . . .
H64B H 0.382148 0.820727 0.223043 0.046 Uiso 1 1 calc R U . . .
H64C H 0.465248 0.784009 0.260282 0.046 Uiso 1 1 calc R U . . .
Cl1 Cl 0.3614(3) 0.42348(13) 0.9503(3) 0.1063(12) Uani 0.774(4) 1 d . . P A 1
Cl2 Cl 0.4053(3) 0.50137(16) 1.0704(3) 0.1104(13) Uani 0.774(4) 1 d . . P A 1
Cl3 Cl 0.2381(4) 0.50324(14) 0.9565(6) 0.175(3) Uani 0.774(4) 1 d . . P A 1
C65 C 0.3539(14) 0.4817(6) 0.9576(12) 0.129(7) Uani 0.774(4) 1 d . . P A 1
H65A H 0.378337 0.497443 0.908675 0.155 Uiso 0.774(4) 1 calc R U P A 1
Cl1' Cl 0.4100(12) 0.4465(5) 0.9863(11) 0.1063(12) Uani 0.226(4) 1 d . . P A 2
Cl2' Cl 0.2495(13) 0.4945(6) 0.8918(11) 0.1104(13) Uani 0.226(4) 1 d . . P A 2
Cl3' Cl 0.4235(12) 0.5244(5) 1.004(2) 0.175(3) Uani 0.226(4) 1 d . . P A 2
C65' C 0.347(5) 0.485(2) 1.020(5) 0.129(7) Uani 0.226(4) 1 d . . P A 2
H65B H 0.329571 0.482906 1.082214 0.155 Uiso 0.226(4) 1 calc R U P A 2
O2 O -0.064(3) 0.9719(15) 0.011(3) 0.089(13) Uani 0.15 1 d . . P . .
H2B H -0.006268 0.966080 0.018796 0.107 Uiso 0.15 1 d R U P . .
H2C H -0.105568 0.967150 -0.043384 0.107 Uiso 0.15 1 d R U P . .
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'
F F 0.0171 0.0103 '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'
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
C61 Rh N2 87.20(15) . . ?
C61 Rh N4 97.71(15) . . ?
N2 Rh N4 175.09(14) . . ?
C61 Rh N1 91.49(15) . . ?
N2 Rh N1 89.92(13) . . ?
N4 Rh N1 90.18(13) . . ?
C61 Rh N3 91.36(16) . . ?
N2 Rh N3 90.36(13) . . ?
N4 Rh N3 89.30(13) . . ?
N1 Rh N3 177.15(15) . . ?
C61 Rh O1 176.53(14) . . ?
N2 Rh O1 89.95(13) . . ?
N4 Rh O1 85.15(13) . . ?
N1 Rh O1 86.52(13) . . ?
N3 Rh O1 90.65(13) . . ?
C64 O1 Rh 121.7(3) . . ?
C64 O1 H1A 100(4) . . ?
Rh O1 H1A 125(4) . . ?
C4 N1 C1 107.4(3) . . ?
C4 N1 Rh 125.9(3) . . ?
C1 N1 Rh 125.9(3) . . ?
C6 N2 C9 107.0(3) . . ?
C6 N2 Rh 126.9(3) . . ?
C9 N2 Rh 126.0(3) . . ?
C11 N3 C14 107.2(3) . . ?
C11 N3 Rh 125.5(3) . . ?
C14 N3 Rh 126.6(3) . . ?
C19 N4 C16 107.2(3) . . ?
C19 N4 Rh 126.3(3) . . ?
C16 N4 Rh 126.4(3) . . ?
N1 C1 C20 125.6(4) . . ?
N1 C1 C2 109.2(3) . . ?
C20 C1 C2 125.3(4) . . ?
C3 C2 C1 107.5(4) . . ?
C3 C2 H2A 126.2 . . ?
C1 C2 H2A 126.2 . . ?
C2 C3 C4 107.1(4) . . ?
C2 C3 H3A 126.4 . . ?
C4 C3 H3A 126.4 . . ?
N1 C4 C5 126.5(4) . . ?
N1 C4 C3 108.7(3) . . ?
C5 C4 C3 124.8(4) . . ?
C6 C5 C4 124.4(4) . . ?
C6 C5 C21 118.1(3) . . ?
C4 C5 C21 117.5(4) . . ?
N2 C6 C5 125.7(4) . . ?
N2 C6 C7 109.2(4) . . ?
C5 C6 C7 125.1(4) . . ?
C8 C7 C6 107.4(4) . . ?
C8 C7 H7A 126.3 . . ?
C6 C7 H7A 126.3 . . ?
C7 C8 C9 107.5(4) . . ?
C7 C8 H8A 126.3 . . ?
C9 C8 H8A 126.3 . . ?
N2 C9 C10 126.4(4) . . ?
N2 C9 C8 108.9(4) . . ?
C10 C9 C8 124.7(4) . . ?
C9 C10 C11 124.8(4) . . ?
C9 C10 C31 119.1(4) . . ?
C11 C10 C31 116.1(4) . . ?
N3 C11 C10 125.9(4) . . ?
N3 C11 C12 109.3(3) . . ?
C10 C11 C12 124.8(4) . . ?
C13 C12 C11 106.9(4) . . ?
C13 C12 H12A 126.6 . . ?
C11 C12 H12A 126.6 . . ?
C12 C13 C14 107.9(4) . . ?
C12 C13 H13A 126.0 . . ?
C14 C13 H13A 126.0 . . ?
N3 C14 C15 125.6(4) . . ?
N3 C14 C13 108.7(3) . . ?
C15 C14 C13 125.7(4) . . ?
C16 C15 C14 124.4(4) . . ?
C16 C15 C41 119.1(4) . . ?
C14 C15 C41 116.5(4) . . ?
N4 C16 C15 126.4(4) . . ?
N4 C16 C17 108.6(4) . . ?
C15 C16 C17 125.0(4) . . ?
C18 C17 C16 107.4(4) . . ?
C18 C17 H17A 126.3 . . ?
C16 C17 H17A 126.3 . . ?
C17 C18 C19 107.1(4) . . ?
C17 C18 H18A 126.5 . . ?
C19 C18 H18A 126.5 . . ?
N4 C19 C20 126.0(4) . . ?
N4 C19 C18 109.7(4) . . ?
C20 C19 C18 124.3(4) . . ?
C19 C20 C1 125.1(4) . . ?
C19 C20 C51 118.3(3) . . ?
C1 C20 C51 116.5(4) . . ?
C26 C21 C22 117.8(4) . . ?
C26 C21 C5 122.2(4) . . ?
C22 C21 C5 120.0(4) . . ?
C23 C22 C21 120.7(4) . . ?
C23 C22 H22A 119.7 . . ?
C21 C22 H22A 119.7 . . ?
C22 C23 C24 122.1(4) . . ?
C22 C23 H23A 119.0 . . ?
C24 C23 H23A 119.0 . . ?
C23 C24 C25 116.8(4) . . ?
C23 C24 C27 119.9(4) . . ?
C25 C24 C27 123.2(5) . . ?
C26 C25 C24 121.5(5) . . ?
C26 C25 H25A 119.2 . . ?
C24 C25 H25A 119.2 . . ?
C25 C26 C21 121.1(5) . . ?
C25 C26 H26A 119.5 . . ?
C21 C26 H26A 119.5 . . ?
C28 C27 C30 109.2(5) . . ?
C28 C27 C24 110.8(4) . . ?
C30 C27 C24 111.6(5) . . ?
C28 C27 C29 108.1(5) . . ?
C30 C27 C29 109.1(5) . . ?
C24 C27 C29 108.0(4) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 C36 118.6(4) . . ?
C32 C31 C10 122.2(4) . . ?
C36 C31 C10 119.1(4) . . ?
C31 C32 C33 120.7(5) . . ?
C31 C32 H32A 119.7 . . ?
C33 C32 H32A 119.7 . . ?
C34 C33 C32 122.2(5) . . ?
C34 C33 H33A 118.9 . . ?
C32 C33 H33A 118.9 . . ?
C33 C34 C35 117.3(5) . . ?
C33 C34 C37 122.7(6) . . ?
C35 C34 C37 119.9(6) . . ?
C34 C35 C36 121.1(5) . . ?
C34 C35 H35A 119.5 . . ?
C36 C35 H35A 119.5 . . ?
C31 C36 C35 120.0(5) . . ?
C31 C36 H36A 120.0 . . ?
C35 C36 H36A 120.0 . . ?
C39 C37 C40 110.7(8) . . ?
C39 C37 C34 113.5(6) . . ?
C40 C37 C34 109.0(7) . . ?
C39 C37 C38 106.4(8) . . ?
C40 C37 C38 107.1(7) . . ?
C34 C37 C38 109.9(7) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C42 C41 C46 117.9(4) . . ?
C42 C41 C15 121.4(4) . . ?
C46 C41 C15 120.7(4) . . ?
C41 C42 C43 121.5(4) . . ?
C41 C42 H42A 119.3 . . ?
C43 C42 H42A 119.3 . . ?
C44 C43 C42 121.1(4) . . ?
C44 C43 H43A 119.5 . . ?
C42 C43 H43A 119.5 . . ?
C45 C44 C43 117.4(4) . . ?
C45 C44 C47 122.4(5) . . ?
C43 C44 C47 120.2(5) . . ?
C44 C45 C46 121.4(5) . . ?
C44 C45 H45A 119.3 . . ?
C46 C45 H45A 119.3 . . ?
C41 C46 C45 120.7(5) . . ?
C41 C46 H46A 119.6 . . ?
C45 C46 H46A 119.6 . . ?
C48 C47 C50 111.8(6) . . ?
C48 C47 C44 110.1(5) . . ?
C50 C47 C44 111.6(5) . . ?
C48 C47 C49 106.7(6) . . ?
C50 C47 C49 106.4(6) . . ?
C44 C47 C49 110.1(5) . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C47 C49 H49A 109.5 . . ?
C47 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C47 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C47 C50 H50A 109.5 . . ?
C47 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C47 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C56 C51 C52 117.4(4) . . ?
C56 C51 C20 120.2(4) . . ?
C52 C51 C20 122.2(4) . . ?
C53 C52 C51 120.9(5) . . ?
C53 C52 H52A 119.5 . . ?
C51 C52 H52A 119.5 . . ?
C52 C53 C54 121.7(5) . . ?
C52 C53 H53A 119.2 . . ?
C54 C53 H53A 119.2 . . ?
C55 C54 C53 117.0(4) . . ?
C55 C54 C57 123.7(4) . . ?
C53 C54 C57 119.3(5) . . ?
C54 C55 C56 121.7(4) . . ?
C54 C55 H55A 119.1 . . ?
C56 C55 H55A 119.1 . . ?
C51 C56 C55 121.1(5) . . ?
C51 C56 H56A 119.4 . . ?
C55 C56 H56A 119.4 . . ?
C60 C57 C59 107.6(5) . . ?
C60 C57 C54 108.2(4) . . ?
C59 C57 C54 112.5(4) . . ?
C60 C57 C58 110.8(5) . . ?
C59 C57 C58 108.3(5) . . ?
C54 C57 C58 109.5(5) . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C57 C59 H59A 109.5 . . ?
C57 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C57 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C57 C60 H60A 109.5 . . ?
C57 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C57 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
F1 C61 F2 104.0(3) . . ?
F1 C61 C62 105.0(3) . . ?
F2 C61 C62 104.3(3) . . ?
F1 C61 Rh 111.9(3) . . ?
F2 C61 Rh 110.4(3) . . ?
C62 C61 Rh 119.9(3) . . ?
F3 C62 F4 109.1(3) . . ?
F3 C62 C61 109.9(3) . . ?
F4 C62 C61 110.0(4) . . ?
F3 C62 C63 106.4(4) . . ?
F4 C62 C63 105.4(3) . . ?
C61 C62 C63 115.9(4) . . ?
F5 C63 F6 109.2(4) . . ?
F5 C63 F7 107.7(4) . . ?
F6 C63 F7 107.0(4) . . ?
F5 C63 C62 112.2(4) . . ?
F6 C63 C62 111.5(4) . . ?
F7 C63 C62 109.0(4) . . ?
O1 C64 H64A 109.5 . . ?
O1 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
O1 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
Cl2 C65 Cl1 112.6(10) . . ?
Cl2 C65 Cl3 92.1(11) . . ?
Cl1 C65 Cl3 115.0(9) . . ?
Cl2 C65 H65A 111.9 . . ?
Cl1 C65 H65A 111.9 . . ?
Cl3 C65 H65A 111.9 . . ?
C65' Cl1' Cl3' 47(2) . . ?
C65' Cl3' Cl1' 46(3) . . ?
Cl1' C65' Cl3' 88(4) . . ?
Cl1' C65' Cl2' 97(3) . . ?
Cl3' C65' Cl2' 96(3) . . ?
Cl1' C65' H65B 122.5 . . ?
Cl3' C65' H65B 122.5 . . ?
Cl2' C65' H65B 122.5 . . ?
H2B O2 H2C 120.0 . . ?
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
Rh C61 1.997(4) . ?
Rh N2 2.025(3) . ?
Rh N4 2.040(3) . ?
Rh N1 2.040(3) . ?
Rh N3 2.042(3) . ?
Rh O1 2.231(3) . ?
F1 C61 1.371(5) . ?
F2 C61 1.387(5) . ?
F3 C62 1.340(5) . ?
F4 C62 1.350(5) . ?
F5 C63 1.312(6) . ?
F6 C63 1.331(6) . ?
F7 C63 1.335(5) . ?
O1 C64 1.435(5) . ?
O1 H1A 0.78(6) . ?
N1 C4 1.366(5) . ?
N1 C1 1.374(5) . ?
N2 C6 1.375(5) . ?
N2 C9 1.379(5) . ?
N3 C11 1.373(5) . ?
N3 C14 1.375(5) . ?
N4 C19 1.364(5) . ?
N4 C16 1.379(5) . ?
C1 C20 1.402(5) . ?
C1 C2 1.434(6) . ?
C2 C3 1.348(6) . ?
C2 H2A 0.9500 . ?
C3 C4 1.453(5) . ?
C3 H3A 0.9500 . ?
C4 C5 1.398(5) . ?
C5 C6 1.398(6) . ?
C5 C21 1.502(6) . ?
C6 C7 1.441(6) . ?
C7 C8 1.350(6) . ?
C7 H7A 0.9500 . ?
C8 C9 1.444(5) . ?
C8 H8A 0.9500 . ?
C9 C10 1.382(6) . ?
C10 C11 1.397(5) . ?
C10 C31 1.511(5) . ?
C11 C12 1.448(6) . ?
C12 C13 1.346(6) . ?
C12 H12A 0.9500 . ?
C13 C14 1.445(6) . ?
C13 H13A 0.9500 . ?
C14 C15 1.393(6) . ?
C15 C16 1.391(6) . ?
C15 C41 1.501(6) . ?
C16 C17 1.445(6) . ?
C17 C18 1.355(6) . ?
C17 H17A 0.9500 . ?
C18 C19 1.436(5) . ?
C18 H18A 0.9500 . ?
C19 C20 1.396(6) . ?
C20 C51 1.499(5) . ?
C21 C26 1.395(7) . ?
C21 C22 1.396(6) . ?
C22 C23 1.383(6) . ?
C22 H22A 0.9500 . ?
C23 C24 1.394(7) . ?
C23 H23A 0.9500 . ?
C24 C25 1.400(7) . ?
C24 C27 1.535(6) . ?
C25 C26 1.384(7) . ?
C25 H25A 0.9500 . ?
C26 H26A 0.9500 . ?
C27 C28 1.533(9) . ?
C27 C30 1.534(8) . ?
C27 C29 1.535(8) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.363(7) . ?
C31 C36 1.386(7) . ?
C32 C33 1.391(7) . ?
C32 H32A 0.9500 . ?
C33 C34 1.357(8) . ?
C33 H33A 0.9500 . ?
C34 C35 1.391(9) . ?
C34 C37 1.534(7) . ?
C35 C36 1.397(8) . ?
C35 H35A 0.9500 . ?
C36 H36A 0.9500 . ?
C37 C39 1.490(11) . ?
C37 C40 1.517(13) . ?
C37 C38 1.579(14) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.374(6) . ?
C41 C46 1.394(6) . ?
C42 C43 1.399(6) . ?
C42 H42A 0.9500 . ?
C43 C44 1.388(7) . ?
C43 H43A 0.9500 . ?
C44 C45 1.390(7) . ?
C44 C47 1.534(6) . ?
C45 C46 1.398(7) . ?
C45 H45A 0.9500 . ?
C46 H46A 0.9500 . ?
C47 C48 1.504(8) . ?
C47 C50 1.527(9) . ?
C47 C49 1.547(9) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 C56 1.386(6) . ?
C51 C52 1.390(7) . ?
C52 C53 1.389(6) . ?
C52 H52A 0.9500 . ?
C53 C54 1.394(7) . ?
C53 H53A 0.9500 . ?
C54 C55 1.378(7) . ?
C54 C57 1.536(6) . ?
C55 C56 1.395(6) . ?
C55 H55A 0.9500 . ?
C56 H56A 0.9500 . ?
C57 C60 1.523(8) . ?
C57 C59 1.526(8) . ?
C57 C58 1.541(8) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 C62 1.543(6) . ?
C62 C63 1.551(7) . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
Cl1 C65 1.716(19) . ?
Cl2 C65 1.678(16) . ?
Cl3 C65 1.82(2) . ?
C65 H65A 1.0000 . ?
Cl1' C65' 1.65(8) . ?
Cl1' Cl3' 2.30(2) . ?
Cl2' C65' 1.99(6) . ?
Cl3' C65' 1.68(6) . ?
C65' H65B 1.0000 . ?
O2 H2B 0.8501 . ?
O2 H2C 0.8501 . ?
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
C4 N1 C1 C20 -179.2(4) . . . . ?
Rh N1 C1 C20 10.4(6) . . . . ?
C4 N1 C1 C2 1.0(5) . . . . ?
Rh N1 C1 C2 -169.4(3) . . . . ?
N1 C1 C2 C3 -0.9(5) . . . . ?
C20 C1 C2 C3 179.3(4) . . . . ?
C1 C2 C3 C4 0.3(5) . . . . ?
C1 N1 C4 C5 179.4(4) . . . . ?
Rh N1 C4 C5 -10.1(6) . . . . ?
C1 N1 C4 C3 -0.8(5) . . . . ?
Rh N1 C4 C3 169.6(3) . . . . ?
C2 C3 C4 N1 0.3(5) . . . . ?
C2 C3 C4 C5 -180.0(4) . . . . ?
N1 C4 C5 C6 3.0(7) . . . . ?
C3 C4 C5 C6 -176.7(4) . . . . ?
N1 C4 C5 C21 -178.1(4) . . . . ?
C3 C4 C5 C21 2.2(6) . . . . ?
C9 N2 C6 C5 179.9(4) . . . . ?
Rh N2 C6 C5 -2.3(7) . . . . ?
C9 N2 C6 C7 -1.8(5) . . . . ?
Rh N2 C6 C7 176.0(3) . . . . ?
C4 C5 C6 N2 3.7(7) . . . . ?
C21 C5 C6 N2 -175.2(4) . . . . ?
C4 C5 C6 C7 -174.4(5) . . . . ?
C21 C5 C6 C7 6.7(7) . . . . ?
N2 C6 C7 C8 1.7(6) . . . . ?
C5 C6 C7 C8 -179.9(5) . . . . ?
C6 C7 C8 C9 -0.9(5) . . . . ?
C6 N2 C9 C10 -175.8(4) . . . . ?
Rh N2 C9 C10 6.3(6) . . . . ?
C6 N2 C9 C8 1.3(5) . . . . ?
Rh N2 C9 C8 -176.6(3) . . . . ?
C7 C8 C9 N2 -0.2(5) . . . . ?
C7 C8 C9 C10 176.9(4) . . . . ?
N2 C9 C10 C11 -1.3(7) . . . . ?
C8 C9 C10 C11 -177.9(4) . . . . ?
N2 C9 C10 C31 179.2(4) . . . . ?
C8 C9 C10 C31 2.6(7) . . . . ?
C14 N3 C11 C10 -176.8(4) . . . . ?
Rh N3 C11 C10 12.3(6) . . . . ?
C14 N3 C11 C12 1.8(5) . . . . ?
Rh N3 C11 C12 -169.1(3) . . . . ?
C9 C10 C11 N3 -8.8(7) . . . . ?
C31 C10 C11 N3 170.8(4) . . . . ?
C9 C10 C11 C12 172.8(4) . . . . ?
C31 C10 C11 C12 -7.6(7) . . . . ?
N3 C11 C12 C13 -0.5(5) . . . . ?
C10 C11 C12 C13 178.2(4) . . . . ?
C11 C12 C13 C14 -1.0(5) . . . . ?
C11 N3 C14 C15 174.3(4) . . . . ?
Rh N3 C14 C15 -14.9(6) . . . . ?
C11 N3 C14 C13 -2.4(5) . . . . ?
Rh N3 C14 C13 168.4(3) . . . . ?
C12 C13 C14 N3 2.2(5) . . . . ?
C12 C13 C14 C15 -174.5(4) . . . . ?
N3 C14 C15 C16 7.4(7) . . . . ?
C13 C14 C15 C16 -176.5(4) . . . . ?
N3 C14 C15 C41 -171.4(4) . . . . ?
C13 C14 C15 C41 4.7(7) . . . . ?
C19 N4 C16 C15 176.1(4) . . . . ?
Rh N4 C16 C15 -6.7(6) . . . . ?
C19 N4 C16 C17 -2.3(5) . . . . ?
Rh N4 C16 C17 175.0(3) . . . . ?
C14 C15 C16 N4 4.1(7) . . . . ?
C41 C15 C16 N4 -177.1(4) . . . . ?
C14 C15 C16 C17 -177.8(4) . . . . ?
C41 C15 C16 C17 1.0(7) . . . . ?
N4 C16 C17 C18 2.2(5) . . . . ?
C15 C16 C17 C18 -176.2(4) . . . . ?
C16 C17 C18 C19 -1.2(5) . . . . ?
C16 N4 C19 C20 -176.3(4) . . . . ?
Rh N4 C19 C20 6.5(6) . . . . ?
C16 N4 C19 C18 1.5(5) . . . . ?
Rh N4 C19 C18 -175.7(3) . . . . ?
C17 C18 C19 N4 -0.2(5) . . . . ?
C17 C18 C19 C20 177.7(4) . . . . ?
N4 C19 C20 C1 -6.0(7) . . . . ?
C18 C19 C20 C1 176.5(4) . . . . ?
N4 C19 C20 C51 170.2(4) . . . . ?
C18 C19 C20 C51 -7.4(7) . . . . ?
N1 C1 C20 C19 -3.1(7) . . . . ?
C2 C1 C20 C19 176.7(4) . . . . ?
N1 C1 C20 C51 -179.3(4) . . . . ?
C2 C1 C20 C51 0.5(7) . . . . ?
C6 C5 C21 C26 -117.2(5) . . . . ?
C4 C5 C21 C26 63.8(6) . . . . ?
C6 C5 C21 C22 62.3(6) . . . . ?
C4 C5 C21 C22 -116.7(5) . . . . ?
C26 C21 C22 C23 -1.4(6) . . . . ?
C5 C21 C22 C23 179.1(4) . . . . ?
C21 C22 C23 C24 1.7(7) . . . . ?
C22 C23 C24 C25 -1.0(7) . . . . ?
C22 C23 C24 C27 176.8(4) . . . . ?
C23 C24 C25 C26 0.1(7) . . . . ?
C27 C24 C25 C26 -177.6(5) . . . . ?
C24 C25 C26 C21 0.1(8) . . . . ?
C22 C21 C26 C25 0.6(7) . . . . ?
C5 C21 C26 C25 -179.9(4) . . . . ?
C23 C24 C27 C28 49.6(6) . . . . ?
C25 C24 C27 C28 -132.8(5) . . . . ?
C23 C24 C27 C30 171.4(5) . . . . ?
C25 C24 C27 C30 -10.9(7) . . . . ?
C23 C24 C27 C29 -68.7(7) . . . . ?
C25 C24 C27 C29 109.0(6) . . . . ?
C9 C10 C31 C32 -100.4(5) . . . . ?
C11 C10 C31 C32 80.0(6) . . . . ?
C9 C10 C31 C36 82.5(6) . . . . ?
C11 C10 C31 C36 -97.1(6) . . . . ?
C36 C31 C32 C33 -0.4(8) . . . . ?
C10 C31 C32 C33 -177.6(5) . . . . ?
C31 C32 C33 C34 1.9(9) . . . . ?
C32 C33 C34 C35 -0.1(9) . . . . ?
C32 C33 C34 C37 176.2(6) . . . . ?
C33 C34 C35 C36 -3.2(11) . . . . ?
C37 C34 C35 C36 -179.6(7) . . . . ?
C32 C31 C36 C35 -2.9(10) . . . . ?
C10 C31 C36 C35 174.4(6) . . . . ?
C34 C35 C36 C31 4.8(12) . . . . ?
C33 C34 C37 C39 145.4(8) . . . . ?
C35 C34 C37 C39 -38.4(12) . . . . ?
C33 C34 C37 C40 -90.8(9) . . . . ?
C35 C34 C37 C40 85.4(9) . . . . ?
C33 C34 C37 C38 26.4(10) . . . . ?
C35 C34 C37 C38 -157.5(7) . . . . ?
C16 C15 C41 C42 -115.9(5) . . . . ?
C14 C15 C41 C42 63.0(6) . . . . ?
C16 C15 C41 C46 66.1(6) . . . . ?
C14 C15 C41 C46 -115.0(5) . . . . ?
C46 C41 C42 C43 -1.9(7) . . . . ?
C15 C41 C42 C43 -179.9(4) . . . . ?
C41 C42 C43 C44 0.3(8) . . . . ?
C42 C43 C44 C45 1.2(8) . . . . ?
C42 C43 C44 C47 179.5(5) . . . . ?
C43 C44 C45 C46 -1.2(8) . . . . ?
C47 C44 C45 C46 -179.5(5) . . . . ?
C42 C41 C46 C45 1.9(7) . . . . ?
C15 C41 C46 C45 180.0(5) . . . . ?
C44 C45 C46 C41 -0.4(8) . . . . ?
C45 C44 C47 C48 111.2(7) . . . . ?
C43 C44 C47 C48 -67.1(8) . . . . ?
C45 C44 C47 C50 -13.5(8) . . . . ?
C43 C44 C47 C50 168.2(6) . . . . ?
C45 C44 C47 C49 -131.5(6) . . . . ?
C43 C44 C47 C49 50.3(7) . . . . ?
C19 C20 C51 C56 -76.6(6) . . . . ?
C1 C20 C51 C56 99.9(5) . . . . ?
C19 C20 C51 C52 107.4(5) . . . . ?
C1 C20 C51 C52 -76.1(6) . . . . ?
C56 C51 C52 C53 -3.9(7) . . . . ?
C20 C51 C52 C53 172.3(5) . . . . ?
C51 C52 C53 C54 0.3(9) . . . . ?
C52 C53 C54 C55 3.0(8) . . . . ?
C52 C53 C54 C57 -174.4(5) . . . . ?
C53 C54 C55 C56 -2.7(8) . . . . ?
C57 C54 C55 C56 174.5(5) . . . . ?
C52 C51 C56 C55 4.1(7) . . . . ?
C20 C51 C56 C55 -172.1(4) . . . . ?
C54 C55 C56 C51 -0.9(8) . . . . ?
C55 C54 C57 C60 -117.0(6) . . . . ?
C53 C54 C57 C60 60.2(7) . . . . ?
C55 C54 C57 C59 1.8(7) . . . . ?
C53 C54 C57 C59 179.0(5) . . . . ?
C55 C54 C57 C58 122.2(6) . . . . ?
C53 C54 C57 C58 -60.6(7) . . . . ?
F1 C61 C62 F3 65.2(4) . . . . ?
F2 C61 C62 F3 174.2(3) . . . . ?
Rh C61 C62 F3 -61.7(4) . . . . ?
F1 C61 C62 F4 -174.7(3) . . . . ?
F2 C61 C62 F4 -65.7(4) . . . . ?
Rh C61 C62 F4 58.4(4) . . . . ?
F1 C61 C62 C63 -55.4(5) . . . . ?
F2 C61 C62 C63 53.6(5) . . . . ?
Rh C61 C62 C63 177.7(3) . . . . ?
F3 C62 C63 F5 -63.5(5) . . . . ?
F4 C62 C63 F5 -179.3(4) . . . . ?
C61 C62 C63 F5 58.9(5) . . . . ?
F3 C62 C63 F6 173.6(3) . . . . ?
F4 C62 C63 F6 57.8(5) . . . . ?
C61 C62 C63 F6 -64.0(5) . . . . ?
F3 C62 C63 F7 55.7(5) . . . . ?
F4 C62 C63 F7 -60.1(5) . . . . ?
C61 C62 C63 F7 178.1(4) . . . . ?
Cl3' Cl1' C65' Cl2' 96(3) . . . . ?
Cl1' Cl3' C65' Cl2' -97(4) . . . . ?
