#------------------------------------------------------------------------------
#$Date: 2023-05-05 03:47:17 +0300 (Fri, 05 May 2023) $
#$Revision: 283145 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/88/1568812.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_1568812
loop_
_publ_author_name
'Yang, Eric S.'
'Combey, Emma'
'Goicoechea, Jose M.'
_publ_section_title
;
 Putting cyaphide in its place: determining the donor/acceptor properties
 of the \kC-cyaphido ligand
;
_journal_issue                   17
_journal_name_full               'Chemical Science'
_journal_page_first              4627
_journal_page_last               4632
_journal_paper_doi               10.1039/D3SC01126G
_journal_volume                  14
_journal_year                    2023
_chemical_formula_moiety         'C32 H12 B F24, C35 H47 N3 Rh'
_chemical_formula_sum            'C67 H59 B F24 N3 Rh'
_chemical_formula_weight         1475.89
_chemical_name_systematic
;
 {[(NDipp)2(CMe)2(C5H3N)]Rh(C2H4)}[BArF4]
;
_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   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2023-02-17 deposited with the CCDC.	2023-04-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.7830(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.5964(2)
_cell_length_b                   17.6516(2)
_cell_length_c                   22.6324(2)
_cell_measurement_reflns_used    21651
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      76.0040
_cell_measurement_theta_min      3.5850
_cell_volume                     6797.04(13)
_computing_cell_refinement       'CrysAlisPro 1.171.41.117a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.117a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.117a (Rigaku OD, 2021)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SUPERFLIP (Palatinus and Chapuis, 2007)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4102
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0288
_diffrn_reflns_av_unetI/netI     0.0295
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            41283
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.322
_diffrn_reflns_theta_min         3.217
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    2.994
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.78388
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.117a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.442
_exptl_crystal_description       block
_exptl_crystal_F_000             2992
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.180
_refine_diff_density_max         1.024
_refine_diff_density_min         -0.738
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     935
_refine_ls_number_reflns         13995
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0546
_refine_ls_R_factor_gt           0.0477
_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)+(0.0792P)²+6.5532P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1286
_refine_ls_wR_factor_ref         0.1366
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12282
_reflns_number_total             13995
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3sc01126g3.cif
_cod_data_source_block           EC055
_cod_depositor_comments
'Adding full bibliography for 1568803--1568814.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1568812
_shelx_shelxl_version_number     2018/1
_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   0.534
_shelx_estimated_absorpt_t_max   0.615
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
Rh1 Rh 0.63881(2) 0.33039(2) 0.05840(2) 0.02645(7) Uani 1 1 d . . . . .
N1 N 0.67735(12) 0.31404(13) 0.15125(10) 0.0272(4) Uani 1 1 d . . . . .
N2 N 0.62494(12) 0.30642(13) -0.03263(10) 0.0278(4) Uani 1 1 d . . . . .
N3 N 0.71020(11) 0.24419(12) 0.06265(10) 0.0259(4) Uani 1 1 d . . . . .
C1 C 0.6109(3) 0.4499(2) 0.0528(2) 0.0680(11) Uani 1 1 d . . . . .
H1A H 0.635621 0.480723 0.089164 0.082 Uiso 1 1 calc R U . . .
H1B H 0.610981 0.475286 0.013761 0.082 Uiso 1 1 calc R U . . .
C2 C 0.5467(2) 0.4145(2) 0.0544(2) 0.0643(11) Uani 1 1 d . . . . .
H2A H 0.503596 0.415507 0.016419 0.077 Uiso 1 1 calc R U . . .
H2B H 0.528267 0.420952 0.091918 0.077 Uiso 1 1 calc R U . . .
C3 C 0.72747(14) 0.25866(16) 0.16804(12) 0.0292(5) Uani 1 1 d . . . . .
C4 C 0.74974(14) 0.21865(15) 0.11783(12) 0.0289(5) Uani 1 1 d . . . . .
C5 C 0.80305(16) 0.15970(17) 0.12214(14) 0.0353(6) Uani 1 1 d . . . . .
H5 H 0.831338 0.141056 0.160895 0.042 Uiso 1 1 calc R U . . .
C6 C 0.81420(16) 0.12853(17) 0.06865(14) 0.0371(6) Uani 1 1 d . . . . .
H6 H 0.850765 0.088390 0.070788 0.044 Uiso 1 1 calc R U . . .
C7 C 0.77231(16) 0.15557(17) 0.01194(14) 0.0342(6) Uani 1 1 d . . . . .
H7 H 0.779408 0.134037 -0.024743 0.041 Uiso 1 1 calc R U . . .
C8 C 0.71975(14) 0.21493(16) 0.01026(12) 0.0288(5) Uani 1 1 d . . . . .
C9 C 0.66780(14) 0.25091(15) -0.04425(12) 0.0283(5) Uani 1 1 d . . . . .
C10 C 0.76119(18) 0.2334(2) 0.23230(13) 0.0411(7) Uani 1 1 d . . . . .
H10A H 0.738239 0.263313 0.259869 0.062 Uiso 1 1 calc R U . . .
H10B H 0.818305 0.240550 0.243167 0.062 Uiso 1 1 calc R U . . .
H10C H 0.749180 0.179652 0.236065 0.062 Uiso 1 1 calc R U . . .
C11 C 0.66619(17) 0.22112(18) -0.10621(13) 0.0370(6) Uani 1 1 d . . . . .
H11A H 0.622640 0.244545 -0.136515 0.056 Uiso 1 1 calc R U . . .
H11B H 0.658935 0.166054 -0.106778 0.056 Uiso 1 1 calc R U . . .
H11C H 0.715922 0.233183 -0.116052 0.056 Uiso 1 1 calc R U . . .
C12 C 0.64825(14) 0.35397(16) 0.19691(11) 0.0285(5) Uani 1 1 d . . . . .
C13 C 0.69033(15) 0.41574(17) 0.22744(12) 0.0326(6) Uani 1 1 d . . . . .
C14 C 0.65867(18) 0.45315(18) 0.27029(13) 0.0404(6) Uani 1 1 d . . . . .
H14 H 0.686398 0.494489 0.292764 0.048 Uiso 1 1 calc R U . . .
C15 C 0.58779(19) 0.4309(2) 0.28038(13) 0.0430(7) Uani 1 1 d . . . . .
H15 H 0.567038 0.457477 0.309264 0.052 Uiso 1 1 calc R U . . .
C16 C 0.54685(18) 0.37049(19) 0.24897(13) 0.0404(6) Uani 1 1 d . . . . .
H16 H 0.497793 0.356484 0.256047 0.048 Uiso 1 1 calc R U . . .
C17 C 0.57634(16) 0.32954(17) 0.20691(12) 0.0335(6) Uani 1 1 d . . . . .
C18 C 0.76753(17) 0.44228(19) 0.21571(15) 0.0431(7) Uani 1 1 d . . . . .
H18 H 0.776276 0.413256 0.180074 0.052 Uiso 1 1 calc R U . . .
C19 C 0.7667(2) 0.5268(2) 0.20037(19) 0.0576(9) Uani 1 1 d . . . . .
H19A H 0.722157 0.537740 0.165433 0.086 Uiso 1 1 calc R U . . .
H19B H 0.815828 0.540372 0.190098 0.086 Uiso 1 1 calc R U . . .
H19C H 0.761633 0.556535 0.235749 0.086 Uiso 1 1 calc R U . . .
C20 C 0.8363(2) 0.4263(3) 0.2708(2) 0.0704(13) Uani 1 1 d . . . . .
H20A H 0.828453 0.453544 0.306491 0.106 Uiso 1 1 calc R U . . .
H20B H 0.885315 0.443247 0.262021 0.106 Uiso 1 1 calc R U . . .
H20C H 0.839308 0.371754 0.279250 0.106 Uiso 1 1 calc R U . . .
C21 C 0.53251(18) 0.2607(2) 0.17499(15) 0.0430(7) Uani 1 1 d . . . . .
H21 H 0.562647 0.239851 0.146699 0.052 Uiso 1 1 calc R U . . .
C22 C 0.4499(2) 0.2805(3) 0.1373(2) 0.0721(12) Uani 1 1 d . . . . .
H22A H 0.423424 0.234351 0.118459 0.108 Uiso 1 1 calc R U . . .
H22B H 0.453365 0.316736 0.105302 0.108 Uiso 1 1 calc R U . . .
H22C H 0.420019 0.302970 0.163926 0.108 Uiso 1 1 calc R U . . .
C23 C 0.5280(3) 0.1998(2) 0.2212(2) 0.0635(10) Uani 1 1 d . . . . .
H23A H 0.498592 0.219121 0.249458 0.095 Uiso 1 1 calc R U . . .
H23B H 0.581218 0.185856 0.244204 0.095 Uiso 1 1 calc R U . . .
H23C H 0.501201 0.155181 0.199884 0.095 Uiso 1 1 calc R U . . .
C24 C 0.56614(16) 0.34076(16) -0.08176(12) 0.0302(5) Uani 1 1 d . . . . .
C25 C 0.58542(17) 0.40248(17) -0.11413(12) 0.0359(6) Uani 1 1 d . . . . .
C26 C 0.5245(2) 0.4335(2) -0.16011(14) 0.0477(8) Uani 1 1 d . . . . .
H26 H 0.535258 0.475173 -0.183325 0.057 Uiso 1 1 calc R U . . .
C27 C 0.4495(2) 0.4050(2) -0.17224(16) 0.0533(9) Uani 1 1 d . . . . .
H27 H 0.409558 0.426217 -0.204329 0.064 Uiso 1 1 calc R U . . .
C28 C 0.43175(19) 0.3462(2) -0.13868(16) 0.0510(8) Uani 1 1 d . . . . .
H28 H 0.379371 0.327703 -0.147454 0.061 Uiso 1 1 calc R U . . .
C29 C 0.48921(17) 0.3131(2) -0.09185(14) 0.0396(6) Uani 1 1 d . . . . .
C30 C 0.6677(2) 0.4345(2) -0.10146(15) 0.0460(7) Uani 1 1 d . . . . .
H30 H 0.700232 0.411610 -0.062830 0.055 Uiso 1 1 calc R U . . .
C31 C 0.6668(3) 0.5217(2) -0.0935(2) 0.0739(12) Uani 1 1 d . . . . .
H31A H 0.638575 0.534487 -0.062702 0.111 Uiso 1 1 calc R U . . .
H31B H 0.640447 0.545297 -0.132522 0.111 Uiso 1 1 calc R U . . .
H31C H 0.720950 0.540466 -0.080175 0.111 Uiso 1 1 calc R U . . .
C32 C 0.7060(2) 0.4163(3) -0.1533(2) 0.0638(10) Uani 1 1 d . . . . .
H32A H 0.707110 0.361329 -0.158845 0.096 Uiso 1 1 calc R U . . .
H32B H 0.759797 0.436134 -0.143162 0.096 Uiso 1 1 calc R U . . .
H32C H 0.675564 0.439912 -0.191202 0.096 Uiso 1 1 calc R U . . .
C33 C 0.46849(18) 0.2484(2) -0.05460(17) 0.0528(9) Uani 1 1 d . . . . .
H33 H 0.508291 0.248406 -0.014189 0.063 Uiso 1 1 calc R U . . .
C34 C 0.3872(2) 0.2578(4) -0.0419(2) 0.0767(14) Uani 1 1 d . . . . .
H34A H 0.382763 0.308728 -0.025878 0.115 Uiso 1 1 calc R U . . .
H34B H 0.380856 0.220005 -0.011779 0.115 Uiso 1 1 calc R U . . .
H34C H 0.346196 0.250587 -0.079909 0.115 Uiso 1 1 calc R U . . .
C35 C 0.4734(3) 0.1727(3) -0.0838(3) 0.0865(17) Uani 1 1 d . . . . .
H35A H 0.436154 0.171255 -0.124249 0.130 Uiso 1 1 calc R U . . .
H35B H 0.460346 0.132526 -0.058157 0.130 Uiso 1 1 calc R U . . .
H35C H 0.526839 0.164835 -0.088167 0.130 Uiso 1 1 calc R U . . .
B101 B 0.87963(15) 0.89540(18) 0.14762(12) 0.0276(6) Uani 1 1 d . . . . .
C101 C 0.93843(14) 0.96931(15) 0.15737(11) 0.0274(5) Uani 1 1 d . . . . .
C102 C 0.94890(15) 1.01609(16) 0.20879(12) 0.0308(5) Uani 1 1 d . . . . .
H102 H 0.921728 1.004100 0.238858 0.037 Uiso 1 1 calc R U . . .
C103 C 0.99767(16) 1.07962(16) 0.21759(12) 0.0332(6) Uani 1 1 d . . . . .
C104 C 1.03723(16) 1.09973(17) 0.17414(13) 0.0349(6) Uani 1 1 d . . . . .
H104 H 1.071099 1.142510 0.180090 0.042 Uiso 1 1 calc R U . . .
C105 C 1.02608(15) 1.05587(17) 0.12190(12) 0.0328(5) Uani 1 1 d . . . . .
C106 C 0.97787(14) 0.99234(16) 0.11363(11) 0.0287(5) Uani 1 1 d . . . . .
H106 H 0.971343 0.963517 0.077226 0.034 Uiso 1 1 calc R U . . .
C107 C 1.0067(2) 1.1263(2) 0.27388(15) 0.0447(7) Uani 1 1 d . . . . .
C108 C 1.0649(2) 1.0776(2) 0.07288(16) 0.0477(8) Uani 1 1 d . . . . .
C109 C 0.87746(15) 0.85939(16) 0.21374(12) 0.0294(5) Uani 1 1 d . . . . .
C110 C 0.94607(16) 0.85408(17) 0.26121(13) 0.0343(6) Uani 1 1 d . . . . .
H110 H 0.993881 0.872538 0.254493 0.041 Uiso 1 1 calc R U . . .
C111 C 0.94706(18) 0.82299(18) 0.31757(14) 0.0393(6) Uani 1 1 d . . . . .
C112 C 0.87907(19) 0.79435(18) 0.32930(13) 0.0410(6) Uani 1 1 d . . . . .
H112 H 0.879263 0.773892 0.368160 0.049 Uiso 1 1 calc R U . . .
C113 C 0.81082(18) 0.79653(19) 0.28248(14) 0.0396(6) Uani 1 1 d . . . . .
C114 C 0.81028(16) 0.82761(17) 0.22626(13) 0.0338(6) Uani 1 1 d . . . . .
H114 H 0.762580 0.827392 0.194974 0.041 Uiso 1 1 calc R U . . .
C115 C 1.0217(2) 0.8215(3) 0.36718(18) 0.0594(10) Uani 1 1 d . . . . .
C116 C 0.7364(2) 0.7635(3) 0.29234(18) 0.0592(10) Uani 1 1 d . . . . .
C117 C 0.90927(15) 0.82619(15) 0.11084(11) 0.0279(5) Uani 1 1 d . . . . .
C118 C 0.98878(15) 0.81378(16) 0.11285(12) 0.0299(5) Uani 1 1 d . . . . .
H118 H 1.027019 0.848324 0.134907 0.036 Uiso 1 1 calc R U . . .
C119 C 1.01332(16) 0.75287(18) 0.08376(12) 0.0344(6) Uani 1 1 d . . . . .
C120 C 0.96032(18) 0.7000(2) 0.05192(14) 0.0414(7) Uani 1 1 d . . . . .
H120 H 0.977206 0.658580 0.031659 0.050 Uiso 1 1 calc R U . . .
C121 C 0.88172(18) 0.7096(2) 0.05066(15) 0.0436(7) Uani 1 1 d . . . . .
C122 C 0.85725(16) 0.77112(18) 0.07948(13) 0.0356(6) Uani 1 1 d . . . . .
H122 H 0.802970 0.775925 0.077806 0.043 Uiso 1 1 calc R U . . .
C123 C 1.09820(18) 0.7433(2) 0.08681(14) 0.0449(7) Uani 1 1 d . . . . .
C124 C 0.8227(2) 0.6539(3) 0.0175(2) 0.0701(13) Uani 1 1 d . . . . .
C125 C 0.79353(14) 0.92801(15) 0.10900(12) 0.0292(5) Uani 1 1 d . . . . .
C126 C 0.74259(15) 0.96538(16) 0.13775(13) 0.0336(6) Uani 1 1 d . . . . .
H126 H 0.756307 0.968500 0.181083 0.040 Uiso 1 1 calc R U . . .
C127 C 0.67252(16) 0.99811(17) 0.10497(15) 0.0387(6) Uani 1 1 d . . . . .
C128 C 0.64994(16) 0.99494(19) 0.04243(15) 0.0420(7) Uani 1 1 d . . . . .
H128 H 0.601678 1.016663 0.020262 0.050 Uiso 1 1 calc R U . . .
C129 C 0.69963(16) 0.95904(19) 0.01227(13) 0.0387(6) Uani 1 1 d . . . . .
C130 C 0.77007(15) 0.92674(17) 0.04502(12) 0.0329(6) Uani 1 1 d . . . . .
H130 H 0.803209 0.903111 0.023286 0.039 Uiso 1 1 calc R U . . .
C131 C 0.62023(18) 1.0365(2) 0.13823(19) 0.0535(9) Uani 1 1 d . . . . .
C132 C 0.6780(2) 0.9557(3) -0.05605(15) 0.0535(9) Uani 1 1 d . . . . .
F1 F 1.0114(3) 1.08521(19) 0.32290(12) 0.1099(16) Uani 0.921(4) 1 d D . P A 1
F2 F 0.95196(19) 1.1777(3) 0.26760(17) 0.1188(19) Uani 0.921(4) 1 d D . P A 1
F3 F 1.07330(16) 1.16671(16) 0.28788(13) 0.0658(8) Uani 0.921(4) 1 d D . P A 1
F1A F 0.943(2) 1.117(2) 0.2985(15) 0.1099(16) Uani 0.079(4) 1 d D . P A 2
F2A F 1.016(2) 1.1996(19) 0.2663(15) 0.1188(19) Uani 0.079(4) 1 d D . P A 2
F3A F 1.0645(17) 1.1179(19) 0.3150(14) 0.0658(8) Uani 0.079(4) 1 d D . P A 2
F4 F 1.01403(18) 1.10929(16) 0.02480(11) 0.0785(7) Uani 1 1 d . . . . .
F5 F 1.12327(17) 1.12627(18) 0.09144(13) 0.0900(10) Uani 1 1 d . . . . .
F6 F 1.09416(14) 1.01837(14) 0.04930(11) 0.0642(6) Uani 1 1 d . . . . .
F7 F 1.0252(3) 0.8797(3) 0.4068(2) 0.129(2) Uani 0.808(5) 1 d . . P B 1
F8 F 1.08589(19) 0.8280(4) 0.34857(18) 0.110(2) Uani 0.808(5) 1 d . . P B 1
F9 F 1.0300(2) 0.7614(3) 0.40294(19) 0.0994(16) Uani 0.808(5) 1 d . . P B 1
F7A F 1.0614(15) 0.8806(14) 0.3668(11) 0.129(2) Uani 0.192(5) 1 d . . P B 2
F8A F 1.0676(8) 0.7683(16) 0.3476(8) 0.110(2) Uani 0.192(5) 1 d . . P B 2
F9A F 1.0161(11) 0.8088(14) 0.4158(10) 0.0994(16) Uani 0.192(5) 1 d . . P B 2
F10 F 0.67350(15) 0.7977(3) 0.26244(18) 0.1331(18) Uani 1 1 d . . . . .
F11 F 0.73584(16) 0.7560(2) 0.34905(12) 0.1010(12) Uani 1 1 d . . . . .
F12 F 0.7237(3) 0.6938(3) 0.2696(3) 0.147(2) Uani 1 1 d . . . . .
F13 F 1.13766(18) 0.7047(3) 0.13484(16) 0.0961(17) Uani 0.826(4) 1 d D . P C 1
F14 F 1.13933(18) 0.8115(2) 0.0978(3) 0.0992(16) Uani 0.826(4) 1 d D . P C 1
F15 F 1.11521(14) 0.7185(2) 0.03815(12) 0.0724(11) Uani 0.826(4) 1 d D . P C 1
F13A F 1.1370(11) 0.7535(15) 0.1323(8) 0.0961(17) Uani 0.174(4) 1 d D . P C 2
F14A F 1.1152(8) 0.7878(10) 0.0471(10) 0.0992(16) Uani 0.174(4) 1 d D . P C 2
F15A F 1.1070(7) 0.6706(10) 0.0628(6) 0.0724(11) Uani 0.174(4) 1 d D . P C 2
F16 F 0.7895(3) 0.6146(3) 0.0534(2) 0.1244(19) Uani 0.858(5) 1 d D . P D 1
F17 F 0.75953(19) 0.6867(2) -0.01955(17) 0.0897(12) Uani 0.858(5) 1 d D . P D 1
F18 F 0.8497(3) 0.6074(4) -0.0178(4) 0.180(4) Uani 0.858(5) 1 d D . P D 1
F16A F 0.7647(17) 0.6540(15) 0.0296(15) 0.1244(19) Uani 0.142(5) 1 d D . P D 2
F17A F 0.8274(15) 0.6469(16) -0.0376(11) 0.0897(12) Uani 0.142(5) 1 d D . P D 2
F18A F 0.8518(15) 0.5781(16) 0.0389(15) 0.180(4) Uani 0.142(5) 1 d D . P D 2
F19 F 0.6611(3) 1.0775(4) 0.1872(3) 0.0824(16) Uani 0.745(9) 1 d . . P E 1
F20 F 0.5752(4) 1.0910(5) 0.1033(2) 0.126(3) Uani 0.745(9) 1 d . . P E 1
F21 F 0.5732(5) 0.9930(4) 0.1569(5) 0.149(4) Uani 0.745(9) 1 d . . P E 1
F19A F 0.6434(10) 1.0917(14) 0.1640(7) 0.0824(16) Uani 0.255(9) 1 d . . P E 2
F20A F 0.5489(13) 1.0396(15) 0.1120(8) 0.126(3) Uani 0.255(9) 1 d . . P E 2
F21A F 0.6122(13) 0.9900(14) 0.1835(17) 0.149(4) Uani 0.255(9) 1 d . . P E 2
F22 F 0.7000(3) 0.8887(2) -0.07866(14) 0.0925(14) Uani 0.746(4) 1 d . . P F 1
F23 F 0.6037(2) 0.9626(5) -0.08243(17) 0.132(3) Uani 0.746(4) 1 d . . P F 1
F24 F 0.7197(3) 1.0061(3) -0.08102(18) 0.0877(15) Uani 0.746(4) 1 d . . P F 1
F22A F 0.6352(11) 0.9040(7) -0.0743(4) 0.0925(14) Uani 0.254(4) 1 d . . P F 2
F23A F 0.6289(7) 1.0215(15) -0.0735(5) 0.132(3) Uani 0.254(4) 1 d . . P F 2
F24A F 0.7267(12) 0.9675(9) -0.0791(7) 0.0877(15) Uani 0.254(4) 1 d . . P F 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 '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
N3 Rh1 N2 78.47(9) . . ?
N3 Rh1 N1 78.51(9) . . ?
N2 Rh1 N1 156.73(9) . . ?
N3 Rh1 C1 153.30(15) . . ?
N2 Rh1 C1 100.06(15) . . ?
N1 Rh1 C1 102.00(15) . . ?
N3 Rh1 C2 171.86(14) . . ?
N2 Rh1 C2 101.60(14) . . ?
N1 Rh1 C2 100.71(14) . . ?
C1 Rh1 C2 34.84(17) . . ?
C3 N1 C12 119.5(2) . . ?
C3 N1 Rh1 115.10(18) . . ?
C12 N1 Rh1 125.18(16) . . ?
C9 N2 C24 119.8(2) . . ?
C9 N2 Rh1 115.47(17) . . ?
C24 N2 Rh1 124.30(17) . . ?
C8 N3 C4 122.7(2) . . ?
C8 N3 Rh1 118.59(17) . . ?
C4 N3 Rh1 118.67(18) . . ?
C2 C1 Rh1 73.4(2) . . ?
C2 C1 H1A 116.2 . . ?
Rh1 C1 H1A 116.2 . . ?
C2 C1 H1B 116.2 . . ?
Rh1 C1 H1B 116.2 . . ?
H1A C1 H1B 113.2 . . ?
C1 C2 Rh1 71.8(2) . . ?
C1 C2 H2A 116.4 . . ?
Rh1 C2 H2A 116.4 . . ?
C1 C2 H2B 116.4 . . ?
Rh1 C2 H2B 116.4 . . ?
H2A C2 H2B 113.4 . . ?
N1 C3 C4 115.3(2) . . ?
N1 C3 C10 125.3(2) . . ?
C4 C3 C10 119.4(2) . . ?
N3 C4 C5 119.8(2) . . ?
N3 C4 C3 112.3(2) . . ?
C5 C4 C3 127.8(2) . . ?
C4 C5 C6 118.6(3) . . ?
C4 C5 H5 120.7 . . ?
C6 C5 H5 120.7 . . ?
C5 C6 C7 120.6(3) . . ?
C5 C6 H6 119.7 . . ?
C7 C6 H6 119.7 . . ?
C6 C7 C8 118.4(3) . . ?
C6 C7 H7 120.8 . . ?
C8 C7 H7 120.8 . . ?
N3 C8 C7 119.8(2) . . ?
N3 C8 C9 112.4(2) . . ?
C7 C8 C9 127.7(2) . . ?
N2 C9 C8 114.9(2) . . ?
N2 C9 C11 125.6(2) . . ?
C8 C9 C11 119.5(2) . . ?
C3 C10 H10A 109.5 . . ?
C3 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C3 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 C17 122.9(2) . . ?
C13 C12 N1 119.6(2) . . ?
C17 C12 N1 117.5(2) . . ?
C12 C13 C14 117.1(3) . . ?
C12 C13 C18 122.5(2) . . ?
C14 C13 C18 120.4(3) . . ?
C15 C14 C13 121.0(3) . . ?
C15 C14 H14 119.5 . . ?
C13 C14 H14 119.5 . . ?
C16 C15 C14 120.7(3) . . ?
C16 C15 H15 119.7 . . ?
C14 C15 H15 119.7 . . ?
C15 C16 C17 121.1(3) . . ?
C15 C16 H16 119.5 . . ?
C17 C16 H16 119.5 . . ?
C16 C17 C12 117.2(3) . . ?
C16 C17 C21 120.4(3) . . ?
C12 C17 C21 122.4(2) . . ?
C13 C18 C20 110.9(3) . . ?
C13 C18 C19 112.5(3) . . ?
C20 C18 C19 109.0(3) . . ?
C13 C18 H18 108.1 . . ?
C20 C18 H18 108.1 . . ?
C19 C18 H18 108.1 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C23 C21 C17 110.4(3) . . ?
C23 C21 C22 109.7(3) . . ?
C17 C21 C22 112.2(3) . . ?
C23 C21 H21 108.1 . . ?
C17 C21 H21 108.1 . . ?
C22 C21 H21 108.1 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C29 C24 C25 122.5(3) . . ?
C29 C24 N2 116.8(3) . . ?
C25 C24 N2 120.5(2) . . ?
C26 C25 C24 116.8(3) . . ?
C26 C25 C30 120.6(3) . . ?
C24 C25 C30 122.6(3) . . ?
C27 C26 C25 121.2(3) . . ?
C27 C26 H26 119.4 . . ?
C25 C26 H26 119.4 . . ?
C28 C27 C26 120.8(3) . . ?
C28 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?
C27 C28 C29 121.1(3) . . ?
C27 C28 H28 119.5 . . ?
C29 C28 H28 119.5 . . ?
C28 C29 C24 117.5(3) . . ?
C28 C29 C33 120.5(3) . . ?
C24 C29 C33 122.0(3) . . ?
C25 C30 C32 111.3(3) . . ?
C25 C30 C31 110.8(3) . . ?
C32 C30 C31 108.5(3) . . ?
C25 C30 H30 108.7 . . ?
C32 C30 H30 108.7 . . ?
C31 C30 H30 108.7 . . ?
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 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C35 C33 C29 112.1(3) . . ?
C35 C33 C34 109.8(4) . . ?
C29 C33 C34 112.9(3) . . ?
C35 C33 H33 107.3 . . ?
C29 C33 H33 107.3 . . ?
C34 C33 H33 107.3 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C109 B101 C117 105.1(2) . . ?
C109 B101 C101 110.3(2) . . ?
C117 B101 C101 112.9(2) . . ?
C109 B101 C125 112.8(2) . . ?
C117 B101 C125 111.1(2) . . ?
C101 B101 C125 104.8(2) . . ?
C102 C101 C106 115.5(2) . . ?
C102 C101 B101 121.6(2) . . ?
C106 C101 B101 122.8(2) . . ?
C103 C102 C101 122.6(2) . . ?
C103 C102 H102 118.7 . . ?
C101 C102 H102 118.7 . . ?
C104 C103 C102 120.4(3) . . ?
C104 C103 C107 120.0(3) . . ?
C102 C103 C107 119.6(3) . . ?
C105 C104 C103 118.3(3) . . ?
C105 C104 H104 120.8 . . ?
C103 C104 H104 120.8 . . ?
C104 C105 C106 121.0(3) . . ?
C104 C105 C108 119.9(3) . . ?
C106 C105 C108 119.1(3) . . ?
C105 C106 C101 122.2(2) . . ?
C105 C106 H106 118.9 . . ?
C101 C106 H106 118.9 . . ?
F2 C107 F1 111.3(4) . . ?
F3A C107 F2A 96.3(19) . . ?
F2 C107 F3 103.5(3) . . ?
F1 C107 F3 103.4(3) . . ?
F3A C107 F1A 107(2) . . ?
F2A C107 F1A 108(2) . . ?
F3A C107 C103 118.6(14) . . ?
F2 C107 C103 112.1(3) . . ?
F1 C107 C103 112.8(3) . . ?
F2A C107 C103 114.8(14) . . ?
F3 C107 C103 113.1(3) . . ?
F1A C107 C103 111.0(13) . . ?
F5 C108 F6 106.8(3) . . ?
F5 C108 F4 106.9(3) . . ?
F6 C108 F4 104.3(3) . . ?
F5 C108 C105 113.3(3) . . ?
F6 C108 C105 113.1(3) . . ?
F4 C108 C105 111.9(3) . . ?
C110 C109 C114 115.1(2) . . ?
C110 C109 B101 120.8(2) . . ?
C114 C109 B101 124.0(2) . . ?
C111 C110 C109 122.6(3) . . ?
C111 C110 H110 118.7 . . ?
C109 C110 H110 118.7 . . ?
C110 C111 C112 120.8(3) . . ?
C110 C111 C115 120.1(3) . . ?
C112 C111 C115 119.1(3) . . ?
C113 C112 C111 117.8(3) . . ?
C113 C112 H112 121.1 . . ?
C111 C112 H112 121.1 . . ?
C114 C113 C112 121.1(3) . . ?
C114 C113 C116 119.3(3) . . ?
C112 C113 C116 119.7(3) . . ?
C113 C114 C109 122.4(3) . . ?
C113 C114 H114 118.8 . . ?
C109 C114 H114 118.8 . . ?
F9A C115 F7A 110.5(16) . . ?
F8 C115 F9 107.4(4) . . ?
F8 C115 F7 104.4(5) . . ?
F9 C115 F7 102.9(4) . . ?
F9A C115 F8A 112.0(14) . . ?
F7A C115 F8A 101.0(15) . . ?
F9A C115 C111 116.7(10) . . ?
F7A C115 C111 111.3(9) . . ?
F8 C115 C111 115.0(3) . . ?
F9 C115 C111 114.5(4) . . ?
F7 C115 C111 111.5(4) . . ?
F8A C115 C111 104.2(7) . . ?
F10 C116 F11 110.3(4) . . ?
F10 C116 F12 101.1(5) . . ?
F11 C116 F12 104.2(4) . . ?
F10 C116 C113 113.9(3) . . ?
F11 C116 C113 114.5(3) . . ?
F12 C116 C113 111.6(4) . . ?
C122 C117 C118 115.2(2) . . ?
C122 C117 B101 121.6(2) . . ?
C118 C117 B101 122.9(2) . . ?
C119 C118 C117 122.3(3) . . ?
C119 C118 H118 118.9 . . ?
C117 C118 H118 118.9 . . ?
C120 C119 C118 121.3(3) . . ?
C120 C119 C123 118.9(3) . . ?
C118 C119 C123 119.8(3) . . ?
C119 C120 C121 117.6(3) . . ?
C119 C120 H120 121.2 . . ?
C121 C120 H120 121.2 . . ?
C120 C121 C122 120.9(3) . . ?
C120 C121 C124 119.6(3) . . ?
C122 C121 C124 119.6(3) . . ?
C121 C122 C117 122.7(3) . . ?
C121 C122 H122 118.7 . . ?
C117 C122 H122 118.7 . . ?
F13A C123 F14A 110.9(15) . . ?
F15 C123 F13 109.9(3) . . ?
F15 C123 F14 102.8(3) . . ?
F13 C123 F14 99.1(4) . . ?
F13A C123 F15A 114.0(14) . . ?
F14A C123 F15A 102.5(10) . . ?
F13A C123 C119 113.7(10) . . ?
F14A C123 C119 107.9(7) . . ?
F15 C123 C119 116.6(3) . . ?
F13 C123 C119 114.1(3) . . ?
F14 C123 C119 112.3(3) . . ?
F15A C123 C119 107.0(6) . . ?
F16A C124 F17A 121.9(18) . . ?
F16 C124 F18 109.4(6) . . ?
F16 C124 F17 100.7(4) . . ?
F18 C124 F17 105.0(5) . . ?
F16A C124 F18A 100.5(18) . . ?
F17A C124 F18A 97.5(15) . . ?
F16A C124 C121 115.9(14) . . ?
F17A C124 C121 110.3(11) . . ?
F16 C124 C121 113.7(4) . . ?
F18 C124 C121 114.0(4) . . ?
F17 C124 C121 113.0(4) . . ?
F18A C124 C121 107.3(10) . . ?
C126 C125 C130 115.7(2) . . ?
C126 C125 B101 122.0(2) . . ?
C130 C125 B101 122.1(2) . . ?
C127 C126 C125 122.2(3) . . ?
C127 C126 H126 118.9 . . ?
C125 C126 H126 118.9 . . ?
C128 C127 C126 121.2(3) . . ?
C128 C127 C131 119.1(3) . . ?
C126 C127 C131 119.8(3) . . ?
C127 C128 C129 118.2(3) . . ?
C127 C128 H128 120.9 . . ?
C129 C128 H128 120.9 . . ?
C128 C129 C130 120.7(3) . . ?
C128 C129 C132 119.9(3) . . ?
C130 C129 C132 119.4(3) . . ?
C129 C130 C125 122.1(3) . . ?
C129 C130 H130 119.0 . . ?
C125 C130 H130 119.0 . . ?
F19A C131 F20A 112.7(12) . . ?
F19A C131 F21A 102.8(15) . . ?
F20A C131 F21A 95.8(13) . . ?
F21 C131 F20 106.6(5) . . ?
F21 C131 F19 107.6(6) . . ?
F20 C131 F19 101.8(5) . . ?
F19A C131 C127 117.0(9) . . ?
F20A C131 C127 117.2(8) . . ?
F21 C131 C127 115.4(4) . . ?
F21A C131 C127 107.7(9) . . ?
F20 C131 C127 111.7(4) . . ?
F19 C131 C127 112.6(3) . . ?
F24A C132 F22A 117.9(11) . . ?
F23 C132 F24 109.5(5) . . ?
F23 C132 F22 104.7(5) . . ?
F24 C132 F22 99.9(4) . . ?
F24A C132 F23A 101.4(11) . . ?
F22A C132 F23A 104.0(10) . . ?
F24A C132 C129 116.5(8) . . ?
F22A C132 C129 111.2(6) . . ?
F23 C132 C129 115.7(3) . . ?
F24 C132 C129 112.4(3) . . ?
F22 C132 C129 113.2(3) . . ?
F23A C132 C129 103.3(6) . . ?
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
Rh1 N3 1.960(2) . ?
Rh1 N2 2.056(2) . ?
Rh1 N1 2.057(2) . ?
Rh1 C1 2.163(4) . ?
Rh1 C2 2.183(3) . ?
N1 C3 1.306(3) . ?
N1 C12 1.448(3) . ?
N2 C9 1.304(3) . ?
N2 C24 1.445(3) . ?
N3 C8 1.342(3) . ?
N3 C4 1.343(3) . ?
C1 C2 1.301(6) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.473(4) . ?
C3 C10 1.492(4) . ?
C4 C5 1.388(4) . ?
C5 C6 1.389(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.391(4) . ?
C6 H6 0.9500 . ?
C7 C8 1.392(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.478(4) . ?
C9 C11 1.491(4) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.398(4) . ?
C12 C17 1.409(4) . ?
C13 C14 1.401(4) . ?
C13 C18 1.523(4) . ?
C14 C15 1.381(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.378(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.396(4) . ?
C16 H16 0.9500 . ?
C17 C21 1.520(4) . ?
C18 C20 1.526(5) . ?
C18 C19 1.532(5) . ?
C18 H18 1.0000 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C23 1.516(5) . ?
C21 C22 1.526(5) . ?
C21 H21 1.0000 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C29 1.402(4) . ?
C24 C25 1.402(4) . ?
C25 C26 1.401(4) . ?
C25 C30 1.513(4) . ?
C26 C27 1.373(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.368(6) . ?
C27 H27 0.9500 . ?
C28 C29 1.393(4) . ?
C28 H28 0.9500 . ?
C29 C33 1.518(5) . ?
C30 C32 1.529(5) . ?
C30 C31 1.550(5) . ?
C30 H30 1.0000 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C35 1.504(7) . ?
C33 C34 1.538(5) . ?
C33 H33 1.0000 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
B101 C109 1.635(4) . ?
B101 C117 1.637(4) . ?
B101 C101 1.645(4) . ?
B101 C125 1.648(4) . ?
C101 C102 1.400(4) . ?
C101 C106 1.406(4) . ?
C102 C103 1.395(4) . ?
C102 H102 0.9500 . ?
C103 C104 1.388(4) . ?
C103 C107 1.491(4) . ?
C104 C105 1.385(4) . ?
C104 H104 0.9500 . ?
C105 C106 1.390(4) . ?
C105 C108 1.494(4) . ?
C106 H106 0.9500 . ?
C107 F3A 1.20(3) . ?
C107 F2 1.304(4) . ?
C107 F1 1.311(4) . ?
C107 F2A 1.32(4) . ?
C107 F3 1.339(4) . ?
C107 F1A 1.39(3) . ?
C108 F5 1.322(4) . ?
C108 F6 1.335(4) . ?
C108 F4 1.342(5) . ?
C109 C110 1.400(4) . ?
C109 C114 1.401(4) . ?
C110 C111 1.385(4) . ?
C110 H110 0.9500 . ?
C111 C112 1.385(5) . ?
C111 C115 1.494(4) . ?
C112 C113 1.385(4) . ?
C112 H112 0.9500 . ?
C113 C114 1.383(4) . ?
C113 C116 1.501(5) . ?
C114 H114 0.9500 . ?
C115 F9A 1.15(2) . ?
C115 F7A 1.26(3) . ?
C115 F8 1.308(6) . ?
C115 F9 1.319(5) . ?
C115 F7 1.355(6) . ?
C115 F8A 1.38(3) . ?
C116 F10 1.289(5) . ?
C116 F11 1.293(4) . ?
C116 F12 1.330(6) . ?
C117 C122 1.398(4) . ?
C117 C118 1.405(3) . ?
C118 C119 1.386(4) . ?
C118 H118 0.9500 . ?
C119 C120 1.385(4) . ?
C119 C123 1.487(4) . ?
C120 C121 1.386(4) . ?
C120 H120 0.9500 . ?
C121 C122 1.390(4) . ?
C121 C124 1.487(5) . ?
C122 H122 0.9500 . ?
C123 F13A 1.096(19) . ?
C123 F14A 1.286(19) . ?
C123 F15 1.289(4) . ?
C123 F13 1.320(5) . ?
C123 F14 1.393(5) . ?
C123 F15A 1.417(16) . ?
C124 F16A 1.12(3) . ?
C124 F17A 1.28(3) . ?
C124 F16 1.313(7) . ?
C124 F18 1.316(6) . ?
C124 F17 1.341(6) . ?
C124 F18A 1.47(3) . ?
C125 C126 1.400(4) . ?
C125 C130 1.401(4) . ?
C126 C127 1.392(4) . ?
C126 H126 0.9500 . ?
C127 C128 1.370(5) . ?
C127 C131 1.492(4) . ?
C128 C129 1.392(5) . ?
C128 H128 0.9500 . ?
C129 C130 1.394(4) . ?
C129 C132 1.496(4) . ?
C130 H130 0.9500 . ?
C131 F19A 1.15(2) . ?
C131 F20A 1.25(2) . ?
C131 F21 1.277(8) . ?
C131 F21A 1.35(3) . ?
C131 F20 1.364(7) . ?
C131 F19 1.365(6) . ?
C132 F24A 1.130(18) . ?
C132 F22A 1.189(15) . ?
C132 F23 1.296(5) . ?
C132 F24 1.365(6) . ?
C132 F22 1.383(6) . ?
C132 F23A 1.44(2) . ?
