#------------------------------------------------------------------------------
#$Date: 2023-05-05 03:47:17 +0300 (Fri, 05 May 2023) $
#$Revision: 283145 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/88/1568810.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_1568810
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, C38 H52 N4 Rh'
_chemical_formula_sum            'C70 H64 B F24 N4 Rh'
_chemical_formula_weight         1530.97
_chemical_name_systematic
;
 {[(NDipp)2(CMe)2(C5H3N)]Rh(CNtBu)}[BArF4]
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -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                90.441(2)
_cell_angle_beta                 103.544(2)
_cell_angle_gamma                100.297(2)
_cell_formula_units_Z            2
_cell_length_a                   14.4106(4)
_cell_length_b                   15.5555(3)
_cell_length_c                   16.6974(5)
_cell_measurement_reflns_used    27412
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      76.1140
_cell_measurement_theta_min      3.6430
_cell_volume                     3575.45(17)
_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 1.000
_diffrn_measured_fraction_theta_max 0.988
_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  0.0382
_diffrn_reflns_av_unetI/netI     0.0318
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            39212
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.081
_diffrn_reflns_theta_min         3.210
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    2.871
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.39121
_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    1.422
_exptl_crystal_description       block
_exptl_crystal_F_000             1556
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.018
_refine_diff_density_max         0.846
_refine_diff_density_min         -0.788
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     914
_refine_ls_number_reflns         14755
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0447
_refine_ls_R_factor_gt           0.0417
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0629P)²+3.0670P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1085
_refine_ls_wR_factor_ref         0.1117
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13757
_reflns_number_total             14755
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3sc01126g3.cif
_cod_data_source_block           EC052
_cod_depositor_comments
'Adding full bibliography for 1568803--1568814.cif.'
_cod_database_code               1568810
_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   0.522
_shelx_estimated_absorpt_t_max   0.950
loop_
_space_group_symop_operation_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_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 0.04665(2) 0.22848(2) 0.76467(2) 0.02297(6) Uani 1 1 d . . . . .
N1 N 0.00161(13) 0.32367(12) 0.82151(11) 0.0246(4) Uani 1 1 d . . . . .
N2 N 0.05676(13) 0.15001(12) 0.66969(11) 0.0248(4) Uani 1 1 d . . . . .
N3 N -0.03930(13) 0.27103(11) 0.67213(11) 0.0222(3) Uani 1 1 d . . . . .
N4 N 0.19992(17) 0.18353(15) 0.91446(14) 0.0396(5) Uani 1 1 d . . . . .
C1 C 0.14127(18) 0.19592(15) 0.85824(14) 0.0306(5) Uani 1 1 d . . . . .
C2 C 0.2782(2) 0.1697(2) 0.98387(19) 0.0536(8) Uani 1 1 d . . . . .
C3 C 0.3418(5) 0.2537(4) 1.0108(5) 0.158(4) Uani 1 1 d . . . . .
H3A H 0.374379 0.274351 0.967272 0.236 Uiso 1 1 calc R U . . .
H3B H 0.390588 0.246917 1.061008 0.236 Uiso 1 1 calc R U . . .
H3C H 0.303332 0.296221 1.022106 0.236 Uiso 1 1 calc R U . . .
C4 C 0.2309(5) 0.1346(7) 1.0510(4) 0.188(5) Uani 1 1 d . . . . .
H4A H 0.224828 0.183316 1.085702 0.282 Uiso 1 1 calc R U . . .
H4B H 0.270834 0.097101 1.084710 0.282 Uiso 1 1 calc R U . . .
H4C H 0.166311 0.100291 1.026336 0.282 Uiso 1 1 calc R U . . .
C5 C 0.3254(6) 0.1029(6) 0.9556(5) 0.202(5) Uani 1 1 d . . . . .
H5A H 0.275953 0.052174 0.930368 0.303 Uiso 1 1 calc R U . . .
H5B H 0.371093 0.084715 1.002685 0.303 Uiso 1 1 calc R U . . .
H5C H 0.360497 0.127287 0.914808 0.303 Uiso 1 1 calc R U . . .
C6 C -0.05990(16) 0.36483(14) 0.77405(14) 0.0258(4) Uani 1 1 d . . . . .
C7 C -0.08288(15) 0.33773(14) 0.68568(13) 0.0239(4) Uani 1 1 d . . . . .
C8 C -0.14107(16) 0.37225(15) 0.62008(15) 0.0280(4) Uani 1 1 d . . . . .
H8 H -0.171824 0.419439 0.628927 0.034 Uiso 1 1 calc R U . . .
C9 C -0.15307(17) 0.33599(15) 0.54134(14) 0.0299(5) Uani 1 1 d . . . . .
H9 H -0.192874 0.358365 0.495660 0.036 Uiso 1 1 calc R U . . .
C10 C -0.10745(17) 0.26718(15) 0.52850(14) 0.0284(4) Uani 1 1 d . . . . .
H10 H -0.115845 0.242251 0.474578 0.034 Uiso 1 1 calc R U . . .
C11 C -0.04955(15) 0.23583(14) 0.59605(13) 0.0242(4) Uani 1 1 d . . . . .
C12 C 0.00720(16) 0.16525(14) 0.59713(13) 0.0256(4) Uani 1 1 d . . . . .
C13 C -0.10644(19) 0.43363(17) 0.80316(16) 0.0360(5) Uani 1 1 d . . . . .
H13A H -0.089916 0.437951 0.863597 0.054 Uiso 1 1 calc R U . . .
H13B H -0.177108 0.418021 0.782636 0.054 Uiso 1 1 calc R U . . .
H13C H -0.082807 0.490046 0.782325 0.054 Uiso 1 1 calc R U . . .
C14 C 0.0054(2) 0.11979(16) 0.51740(15) 0.0338(5) Uani 1 1 d . . . . .
H14A H 0.046661 0.075420 0.528037 0.051 Uiso 1 1 calc R U . . .
H14B H 0.029766 0.162563 0.480895 0.051 Uiso 1 1 calc R U . . .
H14C H -0.061381 0.091584 0.491006 0.051 Uiso 1 1 calc R U . . .
C15 C 0.03174(16) 0.34327(15) 0.90904(13) 0.0266(4) Uani 1 1 d . . . . .
C16 C -0.00850(18) 0.28336(16) 0.95974(15) 0.0325(5) Uani 1 1 d . . . . .
C17 C 0.0255(2) 0.29964(19) 1.04448(16) 0.0405(6) Uani 1 1 d . . . . .
H17 H -0.000851 0.260986 1.080672 0.049 Uiso 1 1 calc R U . . .
C18 C 0.0970(2) 0.3711(2) 1.07705(16) 0.0428(6) Uani 1 1 d . . . . .
H18 H 0.119307 0.380881 1.135169 0.051 Uiso 1 1 calc R U . . .
C19 C 0.1362(2) 0.42811(19) 1.02569(16) 0.0396(6) Uani 1 1 d . . . . .
H19 H 0.185744 0.476492 1.049121 0.047 Uiso 1 1 calc R U . . .
C20 C 0.10450(17) 0.41633(16) 0.94002(15) 0.0307(5) Uani 1 1 d . . . . .
C21 C -0.0873(2) 0.20567(18) 0.92213(17) 0.0425(6) Uani 1 1 d . . . . .
H21 H -0.075206 0.188479 0.868174 0.051 Uiso 1 1 calc R U . . .
C22 C -0.0858(3) 0.1259(2) 0.9746(2) 0.0635(9) Uani 1 1 d . . . . .
H22A H -0.020916 0.110913 0.986300 0.095 Uiso 1 1 calc R U . . .
H22B H -0.133581 0.076355 0.944739 0.095 Uiso 1 1 calc R U . . .
H22C H -0.102027 0.139160 1.026648 0.095 Uiso 1 1 calc R U . . .
C23 C -0.1878(2) 0.2310(3) 0.9038(2) 0.0618(9) Uani 1 1 d . . . . .
H23A H -0.200815 0.250841 0.955263 0.093 Uiso 1 1 calc R U . . .
H23B H -0.237243 0.180135 0.879123 0.093 Uiso 1 1 calc R U . . .
H23C H -0.189570 0.278306 0.865364 0.093 Uiso 1 1 calc R U . . .
C24 C 0.15053(19) 0.47766(17) 0.88367(16) 0.0371(5) Uani 1 1 d . . . . .
H24 H 0.100239 0.477497 0.830975 0.044 Uiso 1 1 calc R U . . .
C25 C 0.2356(3) 0.4442(2) 0.8625(2) 0.0574(8) Uani 1 1 d . . . . .
H25A H 0.287184 0.444883 0.912695 0.086 Uiso 1 1 calc R U . . .
H25B H 0.260771 0.481897 0.822639 0.086 Uiso 1 1 calc R U . . .
H25C H 0.213633 0.384206 0.838418 0.086 Uiso 1 1 calc R U . . .
C26 C 0.1817(3) 0.5719(2) 0.9188(2) 0.0549(8) Uani 1 1 d . . . . .
H26A H 0.127580 0.590562 0.936016 0.082 Uiso 1 1 calc R U . . .
H26B H 0.200369 0.609878 0.876432 0.082 Uiso 1 1 calc R U . . .
H26C H 0.237176 0.575783 0.966446 0.082 Uiso 1 1 calc R U . . .
C27 C 0.11209(17) 0.07991(14) 0.68006(14) 0.0285(5) Uani 1 1 d . . . . .
C28 C 0.0724(2) 0.00275(16) 0.71221(15) 0.0339(5) Uani 1 1 d . . . . .
C29 C 0.1280(2) -0.06323(17) 0.72555(18) 0.0433(6) Uani 1 1 d . . . . .
H29 H 0.102809 -0.116814 0.746357 0.052 Uiso 1 1 calc R U . . .
C30 C 0.2188(2) -0.05177(19) 0.7090(2) 0.0475(7) Uani 1 1 d . . . . .
H30 H 0.255360 -0.097398 0.718411 0.057 Uiso 1 1 calc R U . . .
C31 C 0.2568(2) 0.02561(18) 0.67877(19) 0.0433(6) Uani 1 1 d . . . . .
H31 H 0.319379 0.032589 0.667785 0.052 Uiso 1 1 calc R U . . .
C32 C 0.20464(18) 0.09391(16) 0.66404(16) 0.0336(5) Uani 1 1 d . . . . .
C33 C -0.0274(2) -0.01006(17) 0.73041(17) 0.0395(6) Uani 1 1 d . . . . .
H33 H -0.045593 0.048907 0.732060 0.047 Uiso 1 1 calc R U . . .
C34 C -0.0275(3) -0.0482(3) 0.8142(2) 0.0673(10) Uani 1 1 d . . . . .
H34A H -0.016187 -0.108453 0.812864 0.101 Uiso 1 1 calc R U . . .
H34B H -0.090408 -0.047915 0.826980 0.101 Uiso 1 1 calc R U . . .
H34C H 0.024190 -0.012839 0.856713 0.101 Uiso 1 1 calc R U . . .
C35 C -0.1037(2) -0.0660(2) 0.6622(2) 0.0525(7) Uani 1 1 d . . . . .
H35A H -0.105166 -0.038312 0.609547 0.079 Uiso 1 1 calc R U . . .
H35B H -0.167536 -0.071499 0.674758 0.079 Uiso 1 1 calc R U . . .
H35C H -0.087391 -0.124207 0.658539 0.079 Uiso 1 1 calc R U . . .
C36 C 0.25093(19) 0.18074(17) 0.63660(18) 0.0371(5) Uani 1 1 d . . . . .
H36 H 0.197549 0.213375 0.613764 0.045 Uiso 1 1 calc R U . . .
C37 C 0.3183(3) 0.2349(2) 0.7113(2) 0.0552(8) Uani 1 1 d . . . . .
H37A H 0.280939 0.244918 0.751466 0.083 Uiso 1 1 calc R U . . .
H37B H 0.347198 0.291253 0.693613 0.083 Uiso 1 1 calc R U . . .
H37C H 0.369828 0.203318 0.736761 0.083 Uiso 1 1 calc R U . . .
C38 C 0.3040(3) 0.1709(2) 0.5690(2) 0.0528(7) Uani 1 1 d . . . . .
H38A H 0.361345 0.145056 0.591338 0.079 Uiso 1 1 calc R U . . .
H38B H 0.324288 0.228532 0.548758 0.079 Uiso 1 1 calc R U . . .
H38C H 0.260472 0.132793 0.523415 0.079 Uiso 1 1 calc R U . . .
B1 B 0.59345(17) 0.28396(16) 0.32622(15) 0.0230(4) Uani 1 1 d . . . . .
C101 C 0.69812(15) 0.34905(14) 0.33301(13) 0.0225(4) Uani 1 1 d . . . . .
C102 C 0.77919(15) 0.32198(14) 0.31662(14) 0.0256(4) Uani 1 1 d . . . . .
H102 H 0.772780 0.263900 0.295188 0.031 Uiso 1 1 calc R U . . .
C103 C 0.86948(16) 0.37751(16) 0.33069(15) 0.0298(5) Uani 1 1 d . . . . .
C104 C 0.88329(17) 0.46171(16) 0.36380(17) 0.0349(5) Uani 1 1 d . . . . .
H104 H 0.945070 0.499109 0.373894 0.042 Uiso 1 1 calc R U . . .
C105 C 0.80391(17) 0.49013(15) 0.38193(15) 0.0303(5) Uani 1 1 d . . . . .
C106 C 0.71370(15) 0.43574(14) 0.36584(13) 0.0249(4) Uani 1 1 d . . . . .
H106 H 0.660408 0.457548 0.377310 0.030 Uiso 1 1 calc R U . . .
C107 C 0.95278(18) 0.34385(19) 0.30988(19) 0.0411(6) Uani 1 1 d . . . . .
C108 C 0.8185(2) 0.57918(18) 0.4225(2) 0.0508(8) Uani 1 1 d . . . . .
C109 C 0.50385(15) 0.33617(15) 0.29351(14) 0.0268(4) Uani 1 1 d . . . . .
C110 C 0.50862(16) 0.40062(16) 0.23606(15) 0.0297(5) Uani 1 1 d . . . . .
H110 H 0.566457 0.415895 0.217256 0.036 Uiso 1 1 calc R U . . .
C111 C 0.43123(18) 0.44340(16) 0.20530(16) 0.0338(5) Uani 1 1 d . . . . .
C112 C 0.34636(18) 0.42344(18) 0.23193(17) 0.0388(6) Uani 1 1 d . . . . .
H112 H 0.293934 0.453042 0.211992 0.047 Uiso 1 1 calc R U . . .
C113 C 0.33962(18) 0.35932(19) 0.28833(18) 0.0387(6) Uani 1 1 d . . . . .
C114 C 0.41613(16) 0.31568(16) 0.31768(16) 0.0318(5) Uani 1 1 d . . . . .
H114 H 0.408634 0.270759 0.355139 0.038 Uiso 1 1 calc R U . . .
C115 C 0.4421(2) 0.5127(2) 0.14464(19) 0.0481(7) Uani 1 1 d . . . . .
C116 C 0.2487(2) 0.3382(3) 0.3190(2) 0.0584(9) Uani 1 1 d . . . . .
C117 C 0.60029(15) 0.25338(14) 0.42123(14) 0.0244(4) Uani 1 1 d . . . . .
C118 C 0.57904(16) 0.30516(15) 0.48115(15) 0.0293(5) Uani 1 1 d . . . . .
H118 H 0.552798 0.355924 0.464866 0.035 Uiso 1 1 calc R U . . .
C119 C 0.59505(18) 0.28480(17) 0.56378(16) 0.0338(5) Uani 1 1 d . . . . .
C120 C 0.63280(19) 0.21140(18) 0.59047(16) 0.0364(5) Uani 1 1 d . . . . .
H120 H 0.642988 0.197153 0.646697 0.044 Uiso 1 1 calc R U . . .
C121 C 0.65533(18) 0.15924(16) 0.53263(15) 0.0320(5) Uani 1 1 d . . . . .
C122 C 0.63986(16) 0.18010(15) 0.45021(14) 0.0267(4) Uani 1 1 d . . . . .
H122 H 0.656690 0.143435 0.412216 0.032 Uiso 1 1 calc R U . . .
C123 C 0.5757(2) 0.3459(2) 0.62521(19) 0.0474(7) Uani 1 1 d . . . . .
C124 C 0.6972(2) 0.07996(19) 0.56010(18) 0.0443(6) Uani 1 1 d . . . . .
C125 C 0.57453(15) 0.20150(14) 0.25966(13) 0.0243(4) Uani 1 1 d . . . . .
C126 C 0.52115(16) 0.11920(15) 0.26859(14) 0.0281(4) Uani 1 1 d . . . . .
H126 H 0.495233 0.110233 0.315840 0.034 Uiso 1 1 calc R U . . .
C127 C 0.50471(17) 0.04994(16) 0.21056(15) 0.0322(5) Uani 1 1 d . . . . .
C128 C 0.54065(18) 0.06016(16) 0.14036(15) 0.0331(5) Uani 1 1 d . . . . .
H128 H 0.531042 0.012654 0.101389 0.040 Uiso 1 1 calc R U . . .
C129 C 0.59106(17) 0.14203(16) 0.12898(14) 0.0306(5) Uani 1 1 d . . . . .
C130 C 0.60648(16) 0.21101(15) 0.18670(14) 0.0265(4) Uani 1 1 d . . . . .
H130 H 0.639895 0.266607 0.176314 0.032 Uiso 1 1 calc R U . . .
C131 C 0.4475(2) -0.03656(19) 0.22432(19) 0.0467(7) Uani 1 1 d . . . . .
C132 C 0.6351(2) 0.1563(2) 0.05627(17) 0.0445(6) Uani 1 1 d . . . . .
F1 F 0.92941(17) 0.3043(2) 0.23512(13) 0.0903(9) Uani 1 1 d . . . . .
F2 F 1.02833(16) 0.40612(15) 0.3131(3) 0.1133(13) Uani 1 1 d . . . . .
F3 F 0.98310(14) 0.28372(14) 0.35923(13) 0.0604(5) Uani 1 1 d . . . . .
F4 F 0.8574(2) 0.64021(13) 0.3791(2) 0.1131(13) Uani 1 1 d . . . . .
F5 F 0.8808(3) 0.5867(2) 0.4949(2) 0.1476(18) Uani 1 1 d . . . . .
F6 F 0.73994(15) 0.60273(12) 0.43307(17) 0.0727(7) Uani 1 1 d . . . . .
F7 F 0.4409(3) 0.48005(18) 0.07237(16) 0.1168(13) Uani 1 1 d . . . . .
F8 F 0.52266(16) 0.57040(16) 0.16873(18) 0.0905(9) Uani 1 1 d . . . . .
F9 F 0.37072(17) 0.55869(16) 0.13165(17) 0.0830(7) Uani 1 1 d . . . . .
F10 F 0.17679(15) 0.2889(2) 0.26564(17) 0.0971(10) Uani 1 1 d . . . . .
F11 F 0.2148(2) 0.4096(2) 0.3311(3) 0.1390(16) Uani 1 1 d . . . . .
F12 F 0.25791(15) 0.2951(2) 0.38652(16) 0.0963(10) Uani 1 1 d . . . . .
F13 F 0.6437(2) 0.4132(2) 0.6460(3) 0.1472(18) Uani 1 1 d . . . . .
F14 F 0.49464(19) 0.37533(19) 0.59910(16) 0.0896(8) Uani 1 1 d . . . . .
F15 F 0.5633(3) 0.3085(2) 0.69294(17) 0.1267(14) Uani 1 1 d . . . . .
F16 F 0.63049(19) 0.00957(13) 0.55655(19) 0.0840(8) Uani 1 1 d . . . . .
F17 F 0.75694(16) 0.06101(13) 0.51503(12) 0.0594(5) Uani 1 1 d . . . . .
F18 F 0.7505(2) 0.09011(16) 0.63777(13) 0.0822(8) Uani 1 1 d . . . . .
F19 F 0.47191(18) -0.05861(13) 0.30223(12) 0.0701(6) Uani 1 1 d . . . . .
F20 F 0.4602(2) -0.10261(12) 0.18010(15) 0.0810(8) Uani 1 1 d . . . . .
F21 F 0.35338(16) -0.03658(17) 0.2076(2) 0.1017(10) Uani 1 1 d . . . . .
F22 F 0.73242(17) 0.1675(3) 0.07978(15) 0.1043(11) Uani 1 1 d . . . . .
F23 F 0.6204(2) 0.22776(17) 0.01981(16) 0.0931(9) Uani 1 1 d . . . . .
F24 F 0.6100(2) 0.09087(16) 0.00187(14) 0.0895(9) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 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'
F F 0.0727 0.0534 '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'
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 C1 174.74(9) . . ?
N3 Rh1 N1 78.67(7) . . ?
C1 Rh1 N1 99.45(8) . . ?
N3 Rh1 N2 78.93(7) . . ?
C1 Rh1 N2 102.87(8) . . ?
N1 Rh1 N2 157.60(7) . . ?
C6 N1 C15 121.14(18) . . ?
C6 N1 Rh1 115.96(15) . . ?
C15 N1 Rh1 122.85(14) . . ?
C12 N2 C27 120.78(18) . . ?
C12 N2 Rh1 115.26(14) . . ?
C27 N2 Rh1 123.94(14) . . ?
C11 N3 C7 122.15(18) . . ?
C11 N3 Rh1 118.80(14) . . ?
C7 N3 Rh1 118.97(15) . . ?
C1 N4 C2 177.2(3) . . ?
N4 C1 Rh1 174.7(2) . . ?
C3 C2 N4 108.3(3) . . ?
C3 C2 C5 114.7(6) . . ?
N4 C2 C5 107.0(3) . . ?
C3 C2 C4 110.5(6) . . ?
N4 C2 C4 106.6(3) . . ?
C5 C2 C4 109.4(7) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C2 C5 H5A 109.5 . . ?
C2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
N1 C6 C7 114.57(19) . . ?
N1 C6 C13 125.1(2) . . ?
C7 C6 C13 120.3(2) . . ?
N3 C7 C8 120.2(2) . . ?
N3 C7 C6 111.72(18) . . ?
C8 C7 C6 128.1(2) . . ?
C9 C8 C7 118.3(2) . . ?
C9 C8 H8 120.9 . . ?
C7 C8 H8 120.9 . . ?
C8 C9 C10 120.7(2) . . ?
C8 C9 H9 119.6 . . ?
C10 C9 H9 119.6 . . ?
C11 C10 C9 118.6(2) . . ?
C11 C10 H10 120.7 . . ?
C9 C10 H10 120.7 . . ?
N3 C11 C10 120.1(2) . . ?
N3 C11 C12 111.89(18) . . ?
C10 C11 C12 128.0(2) . . ?
N2 C12 C11 115.08(19) . . ?
N2 C12 C14 125.9(2) . . ?
C11 C12 C14 119.03(19) . . ?
C6 C13 H13A 109.5 . . ?
C6 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C6 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C20 C15 C16 123.2(2) . . ?
C20 C15 N1 119.3(2) . . ?
C16 C15 N1 117.3(2) . . ?
C17 C16 C15 117.1(2) . . ?
C17 C16 C21 122.4(2) . . ?
C15 C16 C21 120.5(2) . . ?
C18 C17 C16 121.2(3) . . ?
C18 C17 H17 119.4 . . ?
C16 C17 H17 119.4 . . ?
C19 C18 C17 120.4(2) . . ?
C19 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C18 C19 C20 121.4(3) . . ?
C18 C19 H19 119.3 . . ?
C20 C19 H19 119.3 . . ?
C19 C20 C15 116.7(2) . . ?
C19 C20 C24 121.2(2) . . ?
C15 C20 C24 122.1(2) . . ?
C16 C21 C22 113.3(3) . . ?
C16 C21 C23 110.9(3) . . ?
C22 C21 C23 110.5(3) . . ?
C16 C21 H21 107.3 . . ?
C22 C21 H21 107.3 . . ?
C23 C21 H21 107.3 . . ?
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 . . ?
C20 C24 C26 113.1(2) . . ?
C20 C24 C25 110.8(2) . . ?
C26 C24 C25 110.8(3) . . ?
C20 C24 H24 107.3 . . ?
C26 C24 H24 107.3 . . ?
C25 C24 H24 107.3 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C32 C27 C28 122.9(2) . . ?
C32 C27 N2 119.5(2) . . ?
C28 C27 N2 117.4(2) . . ?
C29 C28 C27 117.2(2) . . ?
C29 C28 C33 121.0(2) . . ?
C27 C28 C33 121.8(2) . . ?
C30 C29 C28 121.1(3) . . ?
C30 C29 H29 119.4 . . ?
C28 C29 H29 119.4 . . ?
C31 C30 C29 120.4(2) . . ?
C31 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?
C30 C31 C32 121.2(3) . . ?
C30 C31 H31 119.4 . . ?
C32 C31 H31 119.4 . . ?
C31 C32 C27 117.2(2) . . ?
C31 C32 C36 120.1(2) . . ?
C27 C32 C36 122.6(2) . . ?
C28 C33 C35 111.3(2) . . ?
C28 C33 C34 112.0(3) . . ?
C35 C33 C34 110.9(3) . . ?
C28 C33 H33 107.4 . . ?
C35 C33 H33 107.4 . . ?
C34 C33 H33 107.4 . . ?
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 . . ?
C32 C36 C38 113.5(2) . . ?
C32 C36 C37 109.6(2) . . ?
C38 C36 C37 111.2(3) . . ?
C32 C36 H36 107.4 . . ?
C38 C36 H36 107.4 . . ?
C37 C36 H36 107.4 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C125 B1 C109 105.39(17) . . ?
C125 B1 C101 112.67(17) . . ?
C109 B1 C101 110.56(17) . . ?
C125 B1 C117 112.81(18) . . ?
C109 B1 C117 112.35(17) . . ?
C101 B1 C117 103.24(16) . . ?
C102 C101 C106 115.66(19) . . ?
C102 C101 B1 123.95(19) . . ?
C106 C101 B1 120.01(18) . . ?
C101 C102 C103 122.0(2) . . ?
C101 C102 H102 119.0 . . ?
C103 C102 H102 119.0 . . ?
C104 C103 C102 121.3(2) . . ?
C104 C103 C107 120.0(2) . . ?
C102 C103 C107 118.8(2) . . ?
C103 C104 C105 117.9(2) . . ?
C103 C104 H104 121.0 . . ?
C105 C104 H104 121.0 . . ?
C106 C105 C104 120.7(2) . . ?
C106 C105 C108 120.4(2) . . ?
C104 C105 C108 118.9(2) . . ?
C105 C106 C101 122.3(2) . . ?
C105 C106 H106 118.8 . . ?
C101 C106 H106 118.8 . . ?
F2 C107 F3 106.8(3) . . ?
F2 C107 F1 107.4(3) . . ?
F3 C107 F1 103.9(3) . . ?
F2 C107 C103 112.4(2) . . ?
F3 C107 C103 113.1(2) . . ?
F1 C107 C103 112.7(2) . . ?
F6 C108 F5 107.5(3) . . ?
F6 C108 F4 106.0(3) . . ?
F5 C108 F4 104.6(3) . . ?
F6 C108 C105 115.1(2) . . ?
F5 C108 C105 111.7(3) . . ?
F4 C108 C105 111.3(3) . . ?
C110 C109 C114 116.1(2) . . ?
C110 C109 B1 121.7(2) . . ?
C114 C109 B1 122.2(2) . . ?
C109 C110 C111 122.2(2) . . ?
C109 C110 H110 118.9 . . ?
C111 C110 H110 118.9 . . ?
C112 C111 C110 120.4(2) . . ?
C112 C111 C115 120.3(2) . . ?
C110 C111 C115 119.3(2) . . ?
C111 C112 C113 118.4(2) . . ?
C111 C112 H112 120.8 . . ?
C113 C112 H112 120.8 . . ?
C112 C113 C114 121.1(2) . . ?
C112 C113 C116 119.0(2) . . ?
C114 C113 C116 120.0(3) . . ?
C113 C114 C109 121.8(2) . . ?
C113 C114 H114 119.1 . . ?
C109 C114 H114 119.1 . . ?
F7 C115 F8 107.5(3) . . ?
F7 C115 F9 105.4(3) . . ?
F8 C115 F9 105.6(3) . . ?
F7 C115 C111 112.1(3) . . ?
F8 C115 C111 112.7(2) . . ?
F9 C115 C111 113.0(3) . . ?
F12 C116 F10 104.5(3) . . ?
F12 C116 F11 108.6(4) . . ?
F10 C116 F11 104.3(3) . . ?
F12 C116 C113 114.4(2) . . ?
F10 C116 C113 112.8(3) . . ?
F11 C116 C113 111.5(3) . . ?
C118 C117 C122 115.5(2) . . ?
C118 C117 B1 121.9(2) . . ?
C122 C117 B1 122.10(19) . . ?
C119 C118 C117 122.3(2) . . ?
C119 C118 H118 118.8 . . ?
C117 C118 H118 118.8 . . ?
C120 C119 C118 121.0(2) . . ?
C120 C119 C123 119.6(2) . . ?
C118 C119 C123 119.3(2) . . ?
C119 C120 C121 118.0(2) . . ?
C119 C120 H120 121.0 . . ?
C121 C120 H120 121.0 . . ?
C120 C121 C122 120.8(2) . . ?
C120 C121 C124 119.0(2) . . ?
C122 C121 C124 120.1(2) . . ?
C121 C122 C117 122.4(2) . . ?
C121 C122 H122 118.8 . . ?
C117 C122 H122 118.8 . . ?
F13 C123 F15 107.6(4) . . ?
F13 C123 F14 106.7(3) . . ?
F15 C123 F14 102.5(3) . . ?
F13 C123 C119 112.6(2) . . ?
F15 C123 C119 113.1(3) . . ?
F14 C123 C119 113.6(3) . . ?
F16 C124 F18 106.5(3) . . ?
F16 C124 F17 106.8(3) . . ?
F18 C124 F17 105.2(3) . . ?
F16 C124 C121 112.9(3) . . ?
F18 C124 C121 112.4(2) . . ?
F17 C124 C121 112.6(2) . . ?
C126 C125 C130 115.6(2) . . ?
C126 C125 B1 123.1(2) . . ?
C130 C125 B1 121.16(19) . . ?
C127 C126 C125 122.3(2) . . ?
C127 C126 H126 118.9 . . ?
C125 C126 H126 118.9 . . ?
C128 C127 C126 120.9(2) . . ?
C128 C127 C131 119.7(2) . . ?
C126 C127 C131 119.4(2) . . ?
C129 C128 C127 117.8(2) . . ?
C129 C128 H128 121.1 . . ?
C127 C128 H128 121.1 . . ?
C128 C129 C130 121.0(2) . . ?
C128 C129 C132 120.3(2) . . ?
C130 C129 C132 118.6(2) . . ?
C129 C130 C125 122.3(2) . . ?
C129 C130 H130 118.8 . . ?
C125 C130 H130 118.8 . . ?
F21 C131 F20 107.2(3) . . ?
F21 C131 F19 106.1(3) . . ?
F20 C131 F19 105.0(3) . . ?
F21 C131 C127 112.2(3) . . ?
F20 C131 C127 113.7(3) . . ?
F19 C131 C127 112.2(2) . . ?
F23 C132 F24 109.4(3) . . ?
F23 C132 F22 103.2(3) . . ?
F24 C132 F22 104.5(3) . . ?
F23 C132 C129 113.5(3) . . ?
F24 C132 C129 114.3(2) . . ?
F22 C132 C129 110.9(2) . . ?
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 1.9422(17) . ?
Rh1 C1 1.954(2) . ?
Rh1 N1 2.0310(18) . ?
Rh1 N2 2.0417(18) . ?
N1 C6 1.306(3) . ?
N1 C15 1.437(3) . ?
N2 C12 1.301(3) . ?
N2 C27 1.451(3) . ?
N3 C11 1.345(3) . ?
N3 C7 1.348(3) . ?
N4 C1 1.150(3) . ?
N4 C2 1.463(3) . ?
C2 C3 1.455(6) . ?
C2 C5 1.470(6) . ?
C2 C4 1.500(8) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C7 1.475(3) . ?
C6 C13 1.494(3) . ?
C7 C8 1.390(3) . ?
C8 C9 1.387(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.392(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.385(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.479(3) . ?
C12 C14 1.495(3) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C20 1.404(3) . ?
C15 C16 1.404(3) . ?
C16 C17 1.390(4) . ?
C16 C21 1.519(4) . ?
C17 C18 1.382(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.379(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.396(3) . ?
C19 H19 0.9500 . ?
C20 C24 1.522(4) . ?
C21 C22 1.525(4) . ?
C21 C23 1.531(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 C26 1.524(4) . ?
C24 C25 1.527(4) . ?
C24 H24 1.0000 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C32 1.401(4) . ?
C27 C28 1.401(3) . ?
C28 C29 1.399(4) . ?
C28 C33 1.518(4) . ?
C29 C30 1.382(5) . ?
C29 H29 0.9500 . ?
C30 C31 1.380(4) . ?
C30 H30 0.9500 . ?
C31 C32 1.399(3) . ?
C31 H31 0.9500 . ?
C32 C36 1.520(4) . ?
C33 C35 1.522(4) . ?
C33 C34 1.525(4) . ?
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 . ?
C36 C38 1.525(4) . ?
C36 C37 1.527(4) . ?
C36 H36 1.0000 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
B1 C125 1.633(3) . ?
B1 C109 1.636(3) . ?
B1 C101 1.639(3) . ?
B1 C117 1.646(3) . ?
C101 C102 1.393(3) . ?
C101 C106 1.411(3) . ?
C102 C103 1.395(3) . ?
C102 H102 0.9500 . ?
C103 C104 1.380(4) . ?
C103 C107 1.501(3) . ?
C104 C105 1.392(4) . ?
C104 H104 0.9500 . ?
C105 C106 1.385(3) . ?
C105 C108 1.495(4) . ?
C106 H106 0.9500 . ?
C107 F2 1.312(3) . ?
C107 F3 1.317(3) . ?
C107 F1 1.330(4) . ?
C108 F6 1.299(4) . ?
C108 F5 1.317(4) . ?
C108 F4 1.323(4) . ?
C109 C110 1.397(3) . ?
C109 C114 1.400(3) . ?
C110 C111 1.397(3) . ?
C110 H110 0.9500 . ?
C111 C112 1.382(4) . ?
C111 C115 1.498(4) . ?
C112 C113 1.383(4) . ?
C112 H112 0.9500 . ?
C113 C114 1.392(3) . ?
C113 C116 1.499(4) . ?
C114 H114 0.9500 . ?
C115 F7 1.301(4) . ?
C115 F8 1.311(4) . ?
C115 F9 1.332(4) . ?
C116 F12 1.308(4) . ?
C116 F10 1.315(5) . ?
C116 F11 1.323(4) . ?
C117 C118 1.401(3) . ?
C117 C122 1.404(3) . ?
C118 C119 1.393(4) . ?
C118 H118 0.9500 . ?
C119 C120 1.384(4) . ?
C119 C123 1.499(4) . ?
C120 C121 1.388(4) . ?
C120 H120 0.9500 . ?
C121 C122 1.392(3) . ?
C121 C124 1.497(4) . ?
C122 H122 0.9500 . ?
C123 F13 1.283(4) . ?
C123 F15 1.311(4) . ?
C123 F14 1.311(4) . ?
C124 F16 1.312(4) . ?
C124 F18 1.336(4) . ?
C124 F17 1.336(3) . ?
C125 C126 1.399(3) . ?
C125 C130 1.400(3) . ?
C126 C127 1.393(3) . ?
C126 H126 0.9500 . ?
C127 C128 1.388(4) . ?
C127 C131 1.496(4) . ?
C128 C129 1.387(3) . ?
C128 H128 0.9500 . ?
C129 C130 1.389(3) . ?
C129 C132 1.497(4) . ?
C130 H130 0.9500 . ?
C131 F21 1.320(4) . ?
C131 F20 1.324(4) . ?
C131 F19 1.330(4) . ?
C132 F23 1.299(4) . ?
C132 F24 1.300(3) . ?
C132 F22 1.344(4) . ?
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
C15 N1 C6 C7 179.54(19) . . . . ?
Rh1 N1 C6 C7 -2.8(3) . . . . ?
C15 N1 C6 C13 -1.1(4) . . . . ?
Rh1 N1 C6 C13 176.63(19) . . . . ?
C11 N3 C7 C8 0.3(3) . . . . ?
Rh1 N3 C7 C8 176.94(16) . . . . ?
C11 N3 C7 C6 -179.68(19) . . . . ?
Rh1 N3 C7 C6 -3.1(2) . . . . ?
N1 C6 C7 N3 3.7(3) . . . . ?
C13 C6 C7 N3 -175.7(2) . . . . ?
N1 C6 C7 C8 -176.3(2) . . . . ?
C13 C6 C7 C8 4.3(4) . . . . ?
N3 C7 C8 C9 0.3(3) . . . . ?
C6 C7 C8 C9 -179.7(2) . . . . ?
C7 C8 C9 C10 -0.4(3) . . . . ?
C8 C9 C10 C11 -0.2(3) . . . . ?
C7 N3 C11 C10 -0.9(3) . . . . ?
Rh1 N3 C11 C10 -177.54(16) . . . . ?
C7 N3 C11 C12 178.57(19) . . . . ?
Rh1 N3 C11 C12 1.9(2) . . . . ?
C9 C10 C11 N3 0.8(3) . . . . ?
C9 C10 C11 C12 -178.6(2) . . . . ?
C27 N2 C12 C11 177.19(19) . . . . ?
Rh1 N2 C12 C11 -1.1(2) . . . . ?
C27 N2 C12 C14 -4.4(4) . . . . ?
Rh1 N2 C12 C14 177.35(19) . . . . ?
N3 C11 C12 N2 -0.5(3) . . . . ?
C10 C11 C12 N2 179.0(2) . . . . ?
N3 C11 C12 C14 -179.0(2) . . . . ?
C10 C11 C12 C14 0.4(4) . . . . ?
C6 N1 C15 C20 -80.8(3) . . . . ?
Rh1 N1 C15 C20 101.7(2) . . . . ?
C6 N1 C15 C16 104.2(3) . . . . ?
Rh1 N1 C15 C16 -73.3(2) . . . . ?
C20 C15 C16 C17 1.2(4) . . . . ?
N1 C15 C16 C17 175.9(2) . . . . ?
C20 C15 C16 C21 179.9(2) . . . . ?
N1 C15 C16 C21 -5.3(3) . . . . ?
C15 C16 C17 C18 -1.0(4) . . . . ?
C21 C16 C17 C18 -179.7(3) . . . . ?
C16 C17 C18 C19 0.1(4) . . . . ?
C17 C18 C19 C20 0.7(4) . . . . ?
C18 C19 C20 C15 -0.6(4) . . . . ?
C18 C19 C20 C24 -177.8(3) . . . . ?
C16 C15 C20 C19 -0.4(3) . . . . ?
N1 C15 C20 C19 -175.1(2) . . . . ?
C16 C15 C20 C24 176.8(2) . . . . ?
N1 C15 C20 C24 2.1(3) . . . . ?
C17 C16 C21 C22 -31.8(4) . . . . ?
C15 C16 C21 C22 149.6(3) . . . . ?
C17 C16 C21 C23 93.2(3) . . . . ?
C15 C16 C21 C23 -85.5(3) . . . . ?
C19 C20 C24 C26 -34.6(3) . . . . ?
C15 C20 C24 C26 148.4(2) . . . . ?
C19 C20 C24 C25 90.5(3) . . . . ?
C15 C20 C24 C25 -86.5(3) . . . . ?
C12 N2 C27 C32 82.0(3) . . . . ?
Rh1 N2 C27 C32 -99.9(2) . . . . ?
C12 N2 C27 C28 -102.9(3) . . . . ?
Rh1 N2 C27 C28 75.2(2) . . . . ?
C32 C27 C28 C29 -2.3(4) . . . . ?
N2 C27 C28 C29 -177.2(2) . . . . ?
C32 C27 C28 C33 178.9(2) . . . . ?
N2 C27 C28 C33 4.0(3) . . . . ?
C27 C28 C29 C30 1.1(4) . . . . ?
C33 C28 C29 C30 179.9(3) . . . . ?
C28 C29 C30 C31 0.0(5) . . . . ?
C29 C30 C31 C32 -0.2(5) . . . . ?
C30 C31 C32 C27 -0.9(4) . . . . ?
C30 C31 C32 C36 175.6(3) . . . . ?
C28 C27 C32 C31 2.2(4) . . . . ?
N2 C27 C32 C31 177.0(2) . . . . ?
C28 C27 C32 C36 -174.3(2) . . . . ?
N2 C27 C32 C36 0.6(4) . . . . ?
C29 C28 C33 C35 -78.3(3) . . . . ?
C27 C28 C33 C35 100.5(3) . . . . ?
C29 C28 C33 C34 46.5(4) . . . . ?
C27 C28 C33 C34 -134.7(3) . . . . ?
C31 C32 C36 C38 45.0(4) . . . . ?
C27 C32 C36 C38 -138.6(3) . . . . ?
C31 C32 C36 C37 -80.0(3) . . . . ?
C27 C32 C36 C37 96.4(3) . . . . ?
C125 B1 C101 C102 -27.6(3) . . . . ?
C109 B1 C101 C102 -145.2(2) . . . . ?
C117 B1 C101 C102 94.4(2) . . . . ?
C125 B1 C101 C106 159.82(19) . . . . ?
C109 B1 C101 C106 42.2(3) . . . . ?
C117 B1 C101 C106 -78.2(2) . . . . ?
C106 C101 C102 C103 -0.9(3) . . . . ?
B1 C101 C102 C103 -173.8(2) . . . . ?
C101 C102 C103 C104 1.7(4) . . . . ?
C101 C102 C103 C107 -178.8(2) . . . . ?
C102 C103 C104 C105 -0.7(4) . . . . ?
C107 C103 C104 C105 179.9(2) . . . . ?
C103 C104 C105 C106 -1.0(4) . . . . ?
C103 C104 C105 C108 176.4(3) . . . . ?
C104 C105 C106 C101 1.9(4) . . . . ?
C108 C105 C106 C101 -175.5(2) . . . . ?
C102 C101 C106 C105 -0.9(3) . . . . ?
B1 C101 C106 C105 172.3(2) . . . . ?
C104 C103 C107 F2 -11.1(4) . . . . ?
C102 C103 C107 F2 169.5(3) . . . . ?
C104 C103 C107 F3 110.0(3) . . . . ?
C102 C103 C107 F3 -69.4(3) . . . . ?
C104 C103 C107 F1 -132.6(3) . . . . ?
C102 C103 C107 F1 48.0(3) . . . . ?
C106 C105 C108 F6 -6.3(4) . . . . ?
C104 C105 C108 F6 176.3(3) . . . . ?
C106 C105 C108 F5 116.6(4) . . . . ?
C104 C105 C108 F5 -60.8(4) . . . . ?
C106 C105 C108 F4 -126.9(3) . . . . ?
C104 C105 C108 F4 55.7(4) . . . . ?
C125 B1 C109 C110 -87.0(2) . . . . ?
C101 B1 C109 C110 35.1(3) . . . . ?
C117 B1 C109 C110 149.8(2) . . . . ?
C125 B1 C109 C114 89.4(2) . . . . ?
C101 B1 C109 C114 -148.6(2) . . . . ?
C117 B1 C109 C114 -33.9(3) . . . . ?
C114 C109 C110 C111 1.0(3) . . . . ?
B1 C109 C110 C111 177.6(2) . . . . ?
C109 C110 C111 C112 0.7(4) . . . . ?
C109 C110 C111 C115 179.2(2) . . . . ?
C110 C111 C112 C113 -1.1(4) . . . . ?
C115 C111 C112 C113 -179.6(3) . . . . ?
C111 C112 C113 C114 -0.1(4) . . . . ?
C111 C112 C113 C116 178.8(3) . . . . ?
C112 C113 C114 C109 1.8(4) . . . . ?
C116 C113 C114 C109 -177.1(3) . . . . ?
C110 C109 C114 C113 -2.2(4) . . . . ?
B1 C109 C114 C113 -178.8(2) . . . . ?
C112 C111 C115 F7 -109.2(4) . . . . ?
C110 C111 C115 F7 72.3(4) . . . . ?
C112 C111 C115 F8 129.3(3) . . . . ?
C110 C111 C115 F8 -49.2(4) . . . . ?
C112 C111 C115 F9 9.8(4) . . . . ?
C110 C111 C115 F9 -168.7(3) . . . . ?
C112 C113 C116 F12 -162.8(3) . . . . ?
C114 C113 C116 F12 16.1(5) . . . . ?
C112 C113 C116 F10 77.9(4) . . . . ?
C114 C113 C116 F10 -103.2(3) . . . . ?
C112 C113 C116 F11 -39.1(5) . . . . ?
C114 C113 C116 F11 139.8(3) . . . . ?
C125 B1 C117 C118 -155.04(19) . . . . ?
C109 B1 C117 C118 -36.1(3) . . . . ?
C101 B1 C117 C118 83.1(2) . . . . ?
C125 B1 C117 C122 33.6(3) . . . . ?
C109 B1 C117 C122 152.6(2) . . . . ?
C101 B1 C117 C122 -88.3(2) . . . . ?
C122 C117 C118 C119 -0.7(3) . . . . ?
B1 C117 C118 C119 -172.6(2) . . . . ?
C117 C118 C119 C120 -0.2(4) . . . . ?
C117 C118 C119 C123 176.7(2) . . . . ?
C118 C119 C120 C121 0.8(4) . . . . ?
C123 C119 C120 C121 -176.1(2) . . . . ?
C119 C120 C121 C122 -0.3(4) . . . . ?
C119 C120 C121 C124 179.4(2) . . . . ?
C120 C121 C122 C117 -0.7(4) . . . . ?
C124 C121 C122 C117 179.6(2) . . . . ?
C118 C117 C122 C121 1.1(3) . . . . ?
B1 C117 C122 C121 173.0(2) . . . . ?
C120 C119 C123 F13 98.8(4) . . . . ?
C118 C119 C123 F13 -78.1(4) . . . . ?
C120 C119 C123 F15 -23.5(4) . . . . ?
C118 C119 C123 F15 159.6(3) . . . . ?
C120 C119 C123 F14 -139.8(3) . . . . ?
C118 C119 C123 F14 43.2(4) . . . . ?
C120 C121 C124 F16 89.7(3) . . . . ?
C122 C121 C124 F16 -90.6(3) . . . . ?
C120 C121 C124 F18 -30.8(4) . . . . ?
C122 C121 C124 F18 148.9(3) . . . . ?
C120 C121 C124 F17 -149.3(3) . . . . ?
C122 C121 C124 F17 30.4(4) . . . . ?
C109 B1 C125 C126 -91.2(2) . . . . ?
C101 B1 C125 C126 148.1(2) . . . . ?
C117 B1 C125 C126 31.7(3) . . . . ?
C109 B1 C125 C130 84.8(2) . . . . ?
C101 B1 C125 C130 -35.9(3) . . . . ?
C117 B1 C125 C130 -152.27(19) . . . . ?
C130 C125 C126 C127 2.9(3) . . . . ?
B1 C125 C126 C127 179.1(2) . . . . ?
C125 C126 C127 C128 -0.4(4) . . . . ?
C125 C126 C127 C131 179.6(2) . . . . ?
C126 C127 C128 C129 -1.7(4) . . . . ?
C131 C127 C128 C129 178.3(2) . . . . ?
C127 C128 C129 C130 1.1(4) . . . . ?
C127 C128 C129 C132 177.5(2) . . . . ?
C128 C129 C130 C125 1.6(4) . . . . ?
C132 C129 C130 C125 -174.9(2) . . . . ?
C126 C125 C130 C129 -3.5(3) . . . . ?
B1 C125 C130 C129 -179.8(2) . . . . ?
C128 C127 C131 F21 -103.1(3) . . . . ?
C126 C127 C131 F21 76.9(3) . . . . ?
C128 C127 C131 F20 18.7(4) . . . . ?
C126 C127 C131 F20 -161.3(3) . . . . ?
C128 C127 C131 F19 137.6(3) . . . . ?
C126 C127 C131 F19 -42.4(4) . . . . ?
C128 C129 C132 F23 135.8(3) . . . . ?
C130 C129 C132 F23 -47.8(4) . . . . ?
C128 C129 C132 F24 9.2(4) . . . . ?
C130 C129 C132 F24 -174.3(3) . . . . ?
C128 C129 C132 F22 -108.7(3) . . . . ?
C130 C129 C132 F22 67.8(4) . . . . ?
