#------------------------------------------------------------------------------
#$Date: 2023-05-05 03:47:17 +0300 (Fri, 05 May 2023) $
#$Revision: 283145 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/88/1568808.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_1568808
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, C34 H43 Co N3 O'
_chemical_formula_sum            'C66 H55 B Co F24 N3 O'
_chemical_formula_weight         1431.87
_chemical_name_systematic
;
 {[(NDipp)2(CMe)2(C5H3N)]Co(CO)}[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                 104.528(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.4943(5)
_cell_length_b                   17.8665(6)
_cell_length_c                   22.1081(6)
_cell_measurement_reflns_used    24708
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.5710
_cell_measurement_theta_min      3.5810
_cell_volume                     6689.2(4)
_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 10.5035
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0566
_diffrn_reflns_av_unetI/netI     0.0402
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            107320
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         3.380
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.367
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.87705
_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            green
_exptl_crystal_density_diffrn    1.422
_exptl_crystal_description       block
_exptl_crystal_F_000             2912
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.140
_refine_diff_density_max         0.893
_refine_diff_density_min         -0.723
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1007
_refine_ls_number_reflns         15340
_refine_ls_number_restraints     23
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0924
_refine_ls_R_factor_gt           0.0614
_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)+(0.0624P)²+9.1555P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1531
_refine_ls_wR_factor_ref         0.1660
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10951
_reflns_number_total             15340
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3sc01126g3.cif
_cod_data_source_block           EC034
_cod_depositor_comments
'Adding full bibliography for 1568803--1568814.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1568808
_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   0.917
_shelx_estimated_absorpt_t_max   0.950
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
Co1 Co 0.63483(2) 0.30598(2) 0.05846(2) 0.02593(10) Uani 1 1 d . . . . .
N1 N 0.62241(12) 0.29073(13) -0.02940(10) 0.0256(5) Uani 1 1 d . . . . .
N2 N 0.67103(12) 0.29707(13) 0.14765(10) 0.0257(5) Uani 1 1 d . . . . .
N3 N 0.70836(12) 0.23093(13) 0.06186(10) 0.0250(5) Uani 1 1 d . . . . .
C1 C 0.57124(18) 0.38407(18) 0.05444(13) 0.0341(6) Uani 1 1 d . . . . .
O1 O 0.53193(18) 0.43474(16) 0.05135(12) 0.0641(8) Uani 1 1 d . . . . .
C2 C 0.66684(15) 0.24017(15) -0.04564(12) 0.0264(6) Uani 1 1 d . . . . .
C3 C 0.71958(15) 0.20283(15) 0.00840(13) 0.0267(6) Uani 1 1 d . . . . .
C4 C 0.77520(16) 0.14705(17) 0.00998(15) 0.0338(6) Uani 1 1 d . . . . .
H4 H 0.783788 0.127061 -0.027583 0.041 Uiso 1 1 calc R U . . .
C5 C 0.81807(17) 0.12110(17) 0.06781(15) 0.0364(7) Uani 1 1 d . . . . .
H5 H 0.856497 0.082983 0.069895 0.044 Uiso 1 1 calc R U . . .
C6 C 0.80525(16) 0.15032(17) 0.12239(15) 0.0347(7) Uani 1 1 d . . . . .
H6 H 0.834319 0.132467 0.161964 0.042 Uiso 1 1 calc R U . . .
C7 C 0.74919(15) 0.20612(16) 0.11819(13) 0.0280(6) Uani 1 1 d . . . . .
C8 C 0.72514(15) 0.24631(16) 0.16801(13) 0.0286(6) Uani 1 1 d . . . . .
C9 C 0.66694(18) 0.21965(18) -0.11074(13) 0.0355(7) Uani 1 1 d . . . . .
H9A H 0.620402 0.241260 -0.139709 0.053 Uiso 1 1 calc R U . . .
H9B H 0.665597 0.165040 -0.115017 0.053 Uiso 1 1 calc R U . . .
H9C H 0.714871 0.239121 -0.120435 0.053 Uiso 1 1 calc R U . . .
C10 C 0.7620(2) 0.22942(19) 0.23495(13) 0.0400(7) Uani 1 1 d . . . . .
H10A H 0.816561 0.247688 0.246060 0.060 Uiso 1 1 calc R U . . .
H10B H 0.761677 0.175217 0.241667 0.060 Uiso 1 1 calc R U . . .
H10C H 0.732006 0.254247 0.261159 0.060 Uiso 1 1 calc R U . . .
C11 C 0.56607(17) 0.33231(16) -0.07671(12) 0.0298(6) Uani 1 1 d . . . . .
C12 C 0.48685(18) 0.3110(2) -0.08766(14) 0.0395(7) Uani 1 1 d . . . . .
C13 C 0.4322(2) 0.3532(3) -0.13095(18) 0.0638(12) Uani 1 1 d . . . . .
H13 H 0.377954 0.340021 -0.139971 0.077 Uiso 1 1 calc R U . . .
C14 C 0.4544(3) 0.4123(3) -0.16034(19) 0.0747(14) Uani 1 1 d . . . . .
H14 H 0.415649 0.440049 -0.189517 0.090 Uiso 1 1 calc R U . . .
C15 C 0.5330(3) 0.4329(2) -0.14850(17) 0.0663(13) Uani 1 1 d . . . . .
H15 H 0.547596 0.474533 -0.169927 0.080 Uiso 1 1 calc R U . . .
C16 C 0.5916(2) 0.39330(18) -0.10528(14) 0.0438(8) Uani 1 1 d . . . . .
C17 C 0.46202(18) 0.2454(2) -0.05452(16) 0.0478(8) Uani 1 1 d . . . . .
H17 H 0.499331 0.242434 -0.012141 0.057 Uiso 1 1 calc R U . . .
C18 C 0.3787(2) 0.2525(3) -0.0451(2) 0.0771(15) Uani 1 1 d . . . . .
H18A H 0.373932 0.300045 -0.024171 0.116 Uiso 1 1 calc R U . . .
H18B H 0.368582 0.210921 -0.019274 0.116 Uiso 1 1 calc R U . . .
H18C H 0.340109 0.251239 -0.085775 0.116 Uiso 1 1 calc R U . . .
C19 C 0.4698(3) 0.1721(3) -0.0885(3) 0.0778(14) Uani 1 1 d . . . . .
H19A H 0.435159 0.173812 -0.130881 0.117 Uiso 1 1 calc R U . . .
H19B H 0.454523 0.130049 -0.065645 0.117 Uiso 1 1 calc R U . . .
H19C H 0.524634 0.165730 -0.090766 0.117 Uiso 1 1 calc R U . . .
C20 C 0.6771(3) 0.4181(2) -0.08953(18) 0.0603(11) Uani 1 1 d . . . . .
H20 H 0.709743 0.374734 -0.069150 0.072 Uiso 1 1 calc R U . . .
C21 C 0.6898(6) 0.4804(5) -0.0430(4) 0.215(6) Uani 1 1 d . . . . .
H21A H 0.658411 0.523915 -0.061391 0.323 Uiso 1 1 calc R U . . .
H21B H 0.745880 0.493965 -0.031194 0.323 Uiso 1 1 calc R U . . .
H21C H 0.673510 0.464146 -0.005734 0.323 Uiso 1 1 calc R U . . .
C22 C 0.7061(4) 0.4396(4) -0.1458(3) 0.0961(18) Uani 1 1 d . . . . .
H22A H 0.679682 0.485671 -0.164144 0.144 Uiso 1 1 calc R U . . .
H22B H 0.694283 0.399300 -0.176824 0.144 Uiso 1 1 calc R U . . .
H22C H 0.763304 0.447948 -0.133141 0.144 Uiso 1 1 calc R U . . .
C23 C 0.64218(16) 0.34202(16) 0.19156(12) 0.0278(6) Uani 1 1 d . . . . .
C24 C 0.56795(17) 0.32476(18) 0.20108(13) 0.0340(6) Uani 1 1 d . . . . .
C25 C 0.54032(19) 0.3695(2) 0.24241(14) 0.0402(7) Uani 1 1 d . . . . .
H25 H 0.490237 0.358957 0.249841 0.048 Uiso 1 1 calc R U . . .
C26 C 0.5838(2) 0.42871(19) 0.27284(14) 0.0410(7) Uani 1 1 d . . . . .
H26 H 0.563852 0.458331 0.301137 0.049 Uiso 1 1 calc R U . . .
C27 C 0.65690(19) 0.44509(18) 0.26211(14) 0.0379(7) Uani 1 1 d . . . . .
H27 H 0.686736 0.485865 0.283472 0.045 Uiso 1 1 calc R U . . .
C28 C 0.68715(16) 0.40293(16) 0.22070(13) 0.0310(6) Uani 1 1 d . . . . .
C29 C 0.51927(19) 0.2591(2) 0.16897(15) 0.0432(8) Uani 1 1 d . . . . .
H29 H 0.547696 0.236252 0.139515 0.052 Uiso 1 1 calc R U . . .
C30 C 0.4380(2) 0.2845(3) 0.13081(19) 0.0629(11) Uani 1 1 d . . . . .
H30A H 0.409046 0.307446 0.158652 0.094 Uiso 1 1 calc R U . . .
H30B H 0.408474 0.241181 0.109837 0.094 Uiso 1 1 calc R U . . .
H30C H 0.444409 0.321141 0.099464 0.094 Uiso 1 1 calc R U . . .
C31 C 0.5114(2) 0.1995(2) 0.21625(19) 0.0540(9) Uani 1 1 d . . . . .
H31A H 0.564098 0.182999 0.239354 0.081 Uiso 1 1 calc R U . . .
H31B H 0.481901 0.156693 0.194341 0.081 Uiso 1 1 calc R U . . .
H31C H 0.483257 0.220389 0.245493 0.081 Uiso 1 1 calc R U . . .
C32 C 0.76501(17) 0.42487(18) 0.20690(16) 0.0402(7) Uani 1 1 d . . . . .
H32 H 0.781234 0.383141 0.182656 0.048 Uiso 1 1 calc R U . . .
C33 C 0.7553(3) 0.4948(3) 0.1666(2) 0.0730(13) Uani 1 1 d . . . . .
H33A H 0.714448 0.486233 0.127914 0.109 Uiso 1 1 calc R U . . .
H33B H 0.805449 0.506493 0.156593 0.109 Uiso 1 1 calc R U . . .
H33C H 0.739745 0.536812 0.189447 0.109 Uiso 1 1 calc R U . . .
C34 C 0.8303(2) 0.4357(3) 0.2662(2) 0.0734(13) Uani 1 1 d . . . . .
H34A H 0.817201 0.478119 0.289848 0.110 Uiso 1 1 calc R U . . .
H34B H 0.880223 0.445725 0.255198 0.110 Uiso 1 1 calc R U . . .
H34C H 0.835557 0.390280 0.291737 0.110 Uiso 1 1 calc R U . . .
B101 B 0.87969(16) 0.89062(17) 0.14648(13) 0.0239(6) Uani 1 1 d . . . . .
C101 C 0.90910(15) 0.82430(15) 0.10685(12) 0.0243(5) Uani 1 1 d . . . . .
C102 C 0.85655(16) 0.77192(16) 0.07207(13) 0.0304(6) Uani 1 1 d . . . . .
H102 H 0.801656 0.777927 0.068576 0.037 Uiso 1 1 calc R U . . .
C103 C 0.88148(18) 0.71156(17) 0.04251(14) 0.0360(7) Uani 1 1 d . . . . .
C104 C 0.96071(18) 0.70020(18) 0.04686(14) 0.0362(7) Uani 1 1 d . . . . .
H104 H 0.977992 0.659032 0.026532 0.043 Uiso 1 1 calc R U . . .
C105 C 1.01418(16) 0.75038(17) 0.08159(13) 0.0305(6) Uani 1 1 d . . . . .
C106 C 0.98910(15) 0.81019(16) 0.11146(12) 0.0267(5) Uani 1 1 d . . . . .
H106 H 1.027521 0.842838 0.135950 0.032 Uiso 1 1 calc R U . . .
C107 C 0.8217(2) 0.6573(2) 0.0072(2) 0.0558(10) Uani 1 1 d . . . . .
C108 C 1.10016(18) 0.7387(2) 0.08704(15) 0.0400(7) Uani 1 1 d . . . . .
C109 C 0.87771(15) 0.85196(15) 0.21302(12) 0.0255(5) Uani 1 1 d . . . . .
C110 C 0.81153(16) 0.81508(17) 0.22278(13) 0.0301(6) Uani 1 1 d . . . . .
H110 H 0.764531 0.814293 0.190002 0.036 Uiso 1 1 calc R U . . .
C111 C 0.81189(17) 0.77941(17) 0.27878(13) 0.0330(6) Uani 1 1 d . . . . .
C112 C 0.87964(17) 0.77900(17) 0.32757(13) 0.0330(6) Uani 1 1 d . . . . .
H112 H 0.879759 0.756185 0.366405 0.040 Uiso 1 1 calc R U . . .
C113 C 0.94682(17) 0.81257(17) 0.31826(13) 0.0317(6) Uani 1 1 d . . . . .
C114 C 0.94598(16) 0.84732(16) 0.26214(13) 0.0283(6) Uani 1 1 d . . . . .
H114 H 0.993483 0.868834 0.256741 0.034 Uiso 1 1 calc R U . . .
C115 C 0.7397(2) 0.7385(2) 0.28484(17) 0.0513(9) Uani 1 1 d . . . . .
C116 C 1.0208(2) 0.8115(2) 0.36954(16) 0.0468(8) Uani 1 1 d . . . . .
C117 C 0.79324(15) 0.92493(15) 0.10961(12) 0.0252(5) Uani 1 1 d . . . . .
C118 C 0.76735(16) 0.92767(16) 0.04433(12) 0.0288(6) Uani 1 1 d . . . . .
H118 H 0.798926 0.905305 0.020025 0.035 Uiso 1 1 calc R U . . .
C119 C 0.69679(16) 0.96214(17) 0.01397(13) 0.0336(6) Uani 1 1 d . U . . .
C120 C 0.64901(16) 0.99551(17) 0.04739(14) 0.0360(7) Uani 1 1 d . . . . .
H120 H 0.600488 1.018353 0.026608 0.043 Uiso 1 1 calc R U . . .
C121 C 0.67357(16) 0.99474(17) 0.11149(15) 0.0349(7) Uani 1 1 d . . . . .
C122 C 0.74385(15) 0.96032(16) 0.14209(13) 0.0296(6) Uani 1 1 d . . . . .
H122 H 0.759023 0.960744 0.186471 0.036 Uiso 1 1 calc R U . . .
C123 C 0.6719(2) 0.9625(2) -0.05534(17) 0.0525(9) Uani 1 1 d . U . . .
C124 C 0.62381(19) 1.0304(2) 0.14929(18) 0.0505(9) Uani 1 1 d . . . . .
C125 C 0.93936(14) 0.96341(15) 0.15804(12) 0.0240(5) Uani 1 1 d . . . . .
C126 C 0.98093(15) 0.98608(15) 0.11463(12) 0.0257(5) Uani 1 1 d . . . . .
H126 H 0.975651 0.957753 0.077442 0.031 Uiso 1 1 calc R U . . .
C127 C 1.02959(16) 1.04864(16) 0.12423(13) 0.0282(6) Uani 1 1 d . . . . .
C128 C 1.03892(16) 1.09180(16) 0.17756(13) 0.0303(6) Uani 1 1 d . . . . .
H128 H 1.072787 1.134193 0.184324 0.036 Uiso 1 1 calc R U . . .
C129 C 0.99764(16) 1.07154(16) 0.22067(13) 0.0289(6) Uani 1 1 d . . . . .
C130 C 0.94862(15) 1.00922(16) 0.21078(12) 0.0283(6) Uani 1 1 d . . . . .
H130 H 0.920282 0.997206 0.240946 0.034 Uiso 1 1 calc R U . . .
C131 C 1.0711(2) 1.07012(19) 0.07528(16) 0.0417(7) Uani 1 1 d . . . . .
C132 C 1.0055(2) 1.11799(19) 0.27823(15) 0.0414(7) Uani 1 1 d . . . . .
F1 F 1.14579(17) 0.8008(3) 0.1108(3) 0.0686(19) Uani 0.718(10) 1 d . . P A 1
F2 F 1.1339(2) 0.6863(3) 0.1283(2) 0.0685(17) Uani 0.718(10) 1 d . . P A 1
F3 F 1.12009(19) 0.7237(3) 0.03610(15) 0.0500(13) Uani 0.718(10) 1 d . . P A 1
F1A F 1.1196(7) 0.7820(15) 0.0477(10) 0.142(11) Uani 0.282(10) 1 d . . P A 2
F2A F 1.1379(5) 0.7408(12) 0.1367(4) 0.080(7) Uani 0.282(10) 1 d . . P A 2
F3A F 1.1077(6) 0.6672(10) 0.0625(12) 0.151(11) Uani 0.282(10) 1 d . . P A 2
F4 F 0.7960(12) 0.6098(12) 0.0429(6) 0.106(5) Uani 0.57(4) 1 d . . P B 1
F5 F 0.8431(7) 0.6203(9) -0.0362(5) 0.083(4) Uani 0.57(4) 1 d . . P B 1
F6 F 0.7559(7) 0.6897(8) -0.0266(8) 0.080(4) Uani 0.57(4) 1 d . . P B 1
F4A F 0.7802(8) 0.6293(11) 0.0430(9) 0.075(4) Uani 0.43(4) 1 d . . P B 2
F5A F 0.8572(11) 0.5970(16) -0.010(2) 0.144(10) Uani 0.43(4) 1 d . . P B 2
F6A F 0.7709(16) 0.6911(13) -0.0382(11) 0.122(8) Uani 0.43(4) 1 d . . P B 2
F7 F 1.08579(14) 0.8138(2) 0.34969(12) 0.0835(12) Uani 0.914(4) 1 d . . P C 1
F8 F 1.0250(2) 0.8695(2) 0.40857(15) 0.0943(12) Uani 0.914(4) 1 d . . P C 1
F9 F 1.02719(16) 0.75239(19) 0.40657(13) 0.0770(10) Uani 0.914(4) 1 d . . P C 1
F7A F 1.0633(15) 0.876(3) 0.3674(15) 0.0835(12) Uani 0.086(4) 1 d . . P C 2
F8A F 1.016(2) 0.808(3) 0.4201(17) 0.0943(12) Uani 0.086(4) 1 d . . P C 2
F9A F 1.0657(19) 0.7580(19) 0.3537(14) 0.0770(10) Uani 0.086(4) 1 d . . P C 2
F10 F 0.67378(12) 0.77131(18) 0.25474(12) 0.0854(9) Uani 1 1 d . . . . .
F11 F 0.73697(13) 0.72840(16) 0.34361(10) 0.0683(7) Uani 1 1 d . . . . .
F12 F 0.73604(18) 0.66892(17) 0.26001(16) 0.0945(10) Uani 1 1 d . . . . .
F13 F 0.72243(19) 0.9948(2) -0.08203(12) 0.0797(11) Uani 0.789(4) 1 d . . P D 1
F14 F 0.6058(3) 0.9988(5) -0.07908(17) 0.138(3) Uani 0.789(4) 1 d . U P D 1
F15 F 0.6656(5) 0.8968(2) -0.08051(16) 0.165(3) Uani 0.789(4) 1 d . . P D 1
F13A F 0.6463(10) 1.0275(10) -0.0765(5) 0.0797(11) Uani 0.211(4) 1 d . . P D 2
F14A F 0.6029(9) 0.9236(18) -0.0742(7) 0.138(3) Uani 0.211(4) 1 d . U P D 2
F15A F 0.7113(19) 0.9252(10) -0.0820(7) 0.165(3) Uani 0.211(4) 1 d . . P D 2
F16 F 0.6651(8) 1.0685(11) 0.1972(7) 0.097(5) Uani 0.44(3) 1 d . . P E 1
F17 F 0.5847(13) 1.0909(7) 0.1141(5) 0.082(4) Uani 0.44(3) 1 d . . P E 1
F18 F 0.5739(10) 0.9926(7) 0.1612(11) 0.079(5) Uani 0.44(3) 1 d . . P E 1
F16A F 0.6592(7) 1.0820(6) 0.1867(7) 0.078(4) Uani 0.56(3) 1 d . . P E 2
F17A F 0.5540(6) 1.0515(15) 0.1199(5) 0.115(7) Uani 0.56(3) 1 d . . P E 2
F18A F 0.6070(11) 0.9789(5) 0.1940(8) 0.085(3) Uani 0.56(3) 1 d . . P E 2
F19 F 1.09501(12) 1.01115(12) 0.04781(10) 0.0528(5) Uani 1 1 d . . . . .
F20 F 1.13397(15) 1.11292(15) 0.09727(11) 0.0761(8) Uani 1 1 d . . . . .
F21 F 1.02366(16) 1.10873(13) 0.02843(10) 0.0667(6) Uani 1 1 d . . . . .
F22 F 1.0696(6) 1.1586(6) 0.2915(5) 0.079(3) Uani 0.59(3) 1 d . . P F 1
F23 F 0.9475(8) 1.1617(12) 0.2730(7) 0.130(6) Uani 0.59(3) 1 d . . P F 1
F24 F 1.0133(9) 1.0748(6) 0.3278(3) 0.083(3) Uani 0.59(3) 1 d . . P F 1
F22A F 1.0751(6) 1.1419(12) 0.3028(9) 0.109(7) Uani 0.41(3) 1 d . . P F 2
F23A F 0.9646(11) 1.1828(7) 0.2679(8) 0.082(5) Uani 0.41(3) 1 d . . P F 2
F24A F 0.974(2) 1.0915(12) 0.3204(11) 0.135(9) Uani 0.41(3) 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 0.0033 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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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'
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
C1 Co1 N3 174.59(13) . . ?
C1 Co1 N1 98.67(11) . . ?
N3 Co1 N1 80.73(9) . . ?
C1 Co1 N2 99.09(11) . . ?
N3 Co1 N2 81.43(10) . . ?
N1 Co1 N2 162.17(10) . . ?
C2 N1 C11 120.2(2) . . ?
C2 N1 Co1 117.04(18) . . ?
C11 N1 Co1 122.79(17) . . ?
C8 N2 C23 120.0(2) . . ?
C8 N2 Co1 115.79(19) . . ?
C23 N2 Co1 124.26(17) . . ?
C3 N3 C7 122.0(2) . . ?
C3 N3 Co1 119.32(18) . . ?
C7 N3 Co1 118.65(19) . . ?
O1 C1 Co1 178.4(3) . . ?
N1 C2 C3 112.8(2) . . ?
N1 C2 C9 125.8(3) . . ?
C3 C2 C9 121.4(2) . . ?
N3 C3 C4 120.2(3) . . ?
N3 C3 C2 110.1(2) . . ?
C4 C3 C2 129.7(3) . . ?
C3 C4 C5 118.4(3) . . ?
C3 C4 H4 120.8 . . ?
C5 C4 H4 120.8 . . ?
C6 C5 C4 120.6(3) . . ?
C6 C5 H5 119.7 . . ?
C4 C5 H5 119.7 . . ?
C5 C6 C7 118.7(3) . . ?
C5 C6 H6 120.7 . . ?
C7 C6 H6 120.7 . . ?
N3 C7 C6 120.1(3) . . ?
N3 C7 C8 110.4(2) . . ?
C6 C7 C8 129.5(3) . . ?
N2 C8 C7 113.7(2) . . ?
N2 C8 C10 125.3(3) . . ?
C7 C8 C10 121.0(2) . . ?
C2 C9 H9A 109.5 . . ?
C2 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C2 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C16 C11 C12 123.6(3) . . ?
C16 C11 N1 119.5(3) . . ?
C12 C11 N1 116.8(3) . . ?
C13 C12 C11 116.8(3) . . ?
C13 C12 C17 121.7(3) . . ?
C11 C12 C17 121.5(3) . . ?
C14 C13 C12 121.7(4) . . ?
C14 C13 H13 119.1 . . ?
C12 C13 H13 119.1 . . ?
C13 C14 C15 120.7(4) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 H14 119.7 . . ?
C14 C15 C16 121.0(4) . . ?
C14 C15 H15 119.5 . . ?
C16 C15 H15 119.5 . . ?
C11 C16 C15 116.2(4) . . ?
C11 C16 C20 122.5(3) . . ?
C15 C16 C20 121.3(4) . . ?
C12 C17 C18 113.8(4) . . ?
C12 C17 C19 110.8(3) . . ?
C18 C17 C19 110.1(3) . . ?
C12 C17 H17 107.3 . . ?
C18 C17 H17 107.3 . . ?
C19 C17 H17 107.3 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 C22 110.8(5) . . ?
C21 C20 C16 110.1(4) . . ?
C22 C20 C16 113.7(4) . . ?
C21 C20 H20 107.3 . . ?
C22 C20 H20 107.3 . . ?
C16 C20 H20 107.3 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 C28 122.4(3) . . ?
C24 C23 N2 118.1(2) . . ?
C28 C23 N2 119.3(2) . . ?
C25 C24 C23 117.4(3) . . ?
C25 C24 C29 120.4(3) . . ?
C23 C24 C29 122.2(3) . . ?
C26 C25 C24 121.6(3) . . ?
C26 C25 H25 119.2 . . ?
C24 C25 H25 119.2 . . ?
C25 C26 C27 119.9(3) . . ?
C25 C26 H26 120.1 . . ?
C27 C26 H26 120.1 . . ?
C28 C27 C26 121.2(3) . . ?
C28 C27 H27 119.4 . . ?
C26 C27 H27 119.4 . . ?
C27 C28 C23 117.5(3) . . ?
C27 C28 C32 120.1(3) . . ?
C23 C28 C32 122.4(3) . . ?
C24 C29 C31 110.9(3) . . ?
C24 C29 C30 111.3(3) . . ?
C31 C29 C30 110.8(3) . . ?
C24 C29 H29 107.9 . . ?
C31 C29 H29 107.9 . . ?
C30 C29 H29 107.9 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 C34 110.5(3) . . ?
C33 C32 C28 110.8(3) . . ?
C34 C32 C28 112.2(3) . . ?
C33 C32 H32 107.7 . . ?
C34 C32 H32 107.7 . . ?
C28 C32 H32 107.7 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C101 B101 C109 104.9(2) . . ?
C101 B101 C117 112.3(2) . . ?
C109 B101 C117 112.3(2) . . ?
C101 B101 C125 112.6(2) . . ?
C109 B101 C125 110.5(2) . . ?
C117 B101 C125 104.5(2) . . ?
C102 C101 C106 115.2(2) . . ?
C102 C101 B101 121.9(2) . . ?
C106 C101 B101 122.4(2) . . ?
C103 C102 C101 122.6(3) . . ?
C103 C102 H102 118.7 . . ?
C101 C102 H102 118.7 . . ?
C104 C103 C102 120.7(3) . . ?
C104 C103 C107 120.0(3) . . ?
C102 C103 C107 119.3(3) . . ?
C103 C104 C105 118.1(3) . . ?
C103 C104 H104 120.9 . . ?
C105 C104 H104 120.9 . . ?
C104 C105 C106 121.0(3) . . ?
C104 C105 C108 118.8(3) . . ?
C106 C105 C108 120.2(3) . . ?
C105 C106 C101 122.3(3) . . ?
C105 C106 H106 118.8 . . ?
C101 C106 H106 118.8 . . ?
F4A C107 F6A 105.5(15) . . ?
F5 C107 F4 108.9(9) . . ?
F5 C107 F6 100.2(8) . . ?
F4 C107 F6 103.7(11) . . ?
F4A C107 F5A 103.4(16) . . ?
F6A C107 F5A 115.3(16) . . ?
F5 C107 C103 115.1(6) . . ?
F4A C107 C103 110.8(8) . . ?
F6A C107 C103 110.7(10) . . ?
F4 C107 C103 113.9(6) . . ?
F6 C107 C103 113.7(6) . . ?
F5A C107 C103 110.8(8) . . ?
F2A C108 F1A 116.9(13) . . ?
F3 C108 F2 106.3(4) . . ?
F3 C108 F1 103.9(4) . . ?
F2 C108 F1 100.8(4) . . ?
F2A C108 F3A 108.4(12) . . ?
F1A C108 F3A 102.8(15) . . ?
F2A C108 C105 113.9(5) . . ?
F1A C108 C105 107.3(6) . . ?
F3 C108 C105 116.5(3) . . ?
F2 C108 C105 114.6(3) . . ?
F1 C108 C105 113.0(3) . . ?
F3A C108 C105 106.6(5) . . ?
C110 C109 C114 115.6(2) . . ?
C110 C109 B101 123.0(2) . . ?
C114 C109 B101 121.1(2) . . ?
C111 C110 C109 122.4(3) . . ?
C111 C110 H110 118.8 . . ?
C109 C110 H110 118.8 . . ?
C112 C111 C110 120.4(3) . . ?
C112 C111 C115 120.3(3) . . ?
C110 C111 C115 119.3(3) . . ?
C113 C112 C111 118.4(3) . . ?
C113 C112 H112 120.8 . . ?
C111 C112 H112 120.8 . . ?
C112 C113 C114 120.7(3) . . ?
C112 C113 C116 119.4(3) . . ?
C114 C113 C116 119.9(3) . . ?
C113 C114 C109 122.5(3) . . ?
C113 C114 H114 118.8 . . ?
C109 C114 H114 118.8 . . ?
F10 C115 F11 108.3(3) . . ?
F10 C115 F12 104.9(3) . . ?
F11 C115 F12 105.3(3) . . ?
F10 C115 C111 112.9(3) . . ?
F11 C115 C111 113.2(3) . . ?
F12 C115 C111 111.6(3) . . ?
F7 C116 F9 106.5(3) . . ?
F7 C116 F8 106.3(4) . . ?
F9 C116 F8 103.7(3) . . ?
F8A C116 F9A 114(3) . . ?
F8A C116 F7A 104(3) . . ?
F9A C116 F7A 103(2) . . ?
F8A C116 C113 118.9(19) . . ?
F7 C116 C113 113.8(3) . . ?
F9 C116 C113 113.7(3) . . ?
F8 C116 C113 112.1(3) . . ?
F9A C116 C113 105.3(12) . . ?
F7A C116 C113 109.8(11) . . ?
C118 C117 C122 115.4(2) . . ?
C118 C117 B101 122.9(2) . . ?
C122 C117 B101 121.4(2) . . ?
C119 C118 C117 122.1(3) . . ?
C119 C118 H118 119.0 . . ?
C117 C118 H118 119.0 . . ?
C120 C119 C118 121.0(3) . . ?
C120 C119 C123 119.3(3) . . ?
C118 C119 C123 119.6(3) . . ?
C121 C120 C119 118.2(3) . . ?
C121 C120 H120 120.9 . . ?
C119 C120 H120 120.9 . . ?
C120 C121 C122 121.1(3) . . ?
C120 C121 C124 119.9(3) . . ?
C122 C121 C124 119.0(3) . . ?
C121 C122 C117 122.2(3) . . ?
C121 C122 H122 118.9 . . ?
C117 C122 H122 118.9 . . ?
F15A C123 F13A 120.4(11) . . ?
F15 C123 F13 101.6(5) . . ?
F15 C123 F14 107.7(5) . . ?
F13 C123 F14 103.2(4) . . ?
F15A C123 F14A 97.9(14) . . ?
F13A C123 F14A 98.5(12) . . ?
F15A C123 C119 116.4(9) . . ?
F13A C123 C119 111.3(6) . . ?
F15 C123 C119 114.3(3) . . ?
F13 C123 C119 114.2(3) . . ?
F14 C123 C119 114.5(4) . . ?
F14A C123 C119 108.7(7) . . ?
F17A C124 F16A 110.9(9) . . ?
F18 C124 F16 113.8(11) . . ?
F18 C124 F17 106.1(7) . . ?
F16 C124 F17 98.0(9) . . ?
F17A C124 F18A 101.8(7) . . ?
F16A C124 F18A 99.5(7) . . ?
F18 C124 C121 116.6(6) . . ?
F17A C124 C121 117.0(5) . . ?
F16A C124 C121 114.3(6) . . ?
F16 C124 C121 113.1(7) . . ?
F17 C124 C121 106.9(6) . . ?
F18A C124 C121 111.2(5) . . ?
C130 C125 C126 115.5(2) . . ?
C130 C125 B101 121.8(2) . . ?
C126 C125 B101 122.7(2) . . ?
C127 C126 C125 122.1(2) . . ?
C127 C126 H126 118.9 . . ?
C125 C126 H126 118.9 . . ?
C128 C127 C126 121.0(3) . . ?
C128 C127 C131 119.9(3) . . ?
C126 C127 C131 119.1(2) . . ?
C129 C128 C127 118.1(3) . . ?
C129 C128 H128 120.9 . . ?
C127 C128 H128 120.9 . . ?
C128 C129 C130 120.7(3) . . ?
C128 C129 C132 119.3(3) . . ?
C130 C129 C132 120.0(3) . . ?
C129 C130 C125 122.5(3) . . ?
C129 C130 H130 118.7 . . ?
C125 C130 H130 118.7 . . ?
F20 C131 F19 107.2(3) . . ?
F20 C131 F21 106.3(3) . . ?
F19 C131 F21 105.0(3) . . ?
F20 C131 C127 113.0(3) . . ?
F19 C131 C127 113.0(3) . . ?
F21 C131 C127 111.8(3) . . ?
F22A C132 F24A 110.6(13) . . ?
F23 C132 F22 107.5(10) . . ?
F23 C132 F24 110.5(9) . . ?
F22 C132 F24 103.6(7) . . ?
F22A C132 F23A 101.2(10) . . ?
F24A C132 F23A 97.5(15) . . ?
F23 C132 C129 111.4(6) . . ?
F22A C132 C129 115.0(7) . . ?
F24A C132 C129 116.6(8) . . ?
F22 C132 C129 113.0(5) . . ?
F24 C132 C129 110.5(5) . . ?
F23A C132 C129 113.6(8) . . ?
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
Co1 C1 1.773(3) . ?
Co1 N3 1.847(2) . ?
Co1 N1 1.919(2) . ?
Co1 N2 1.920(2) . ?
N1 C2 1.300(3) . ?
N1 C11 1.449(3) . ?
N2 C8 1.307(3) . ?
N2 C23 1.445(4) . ?
N3 C3 1.343(3) . ?
N3 C7 1.346(3) . ?
C1 O1 1.129(4) . ?
C2 C3 1.473(4) . ?
C2 C9 1.486(4) . ?
C3 C4 1.387(4) . ?
C4 C5 1.390(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.384(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.385(4) . ?
C6 H6 0.9500 . ?
C7 C8 1.462(4) . ?
C8 C10 1.489(4) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C16 1.388(4) . ?
C11 C12 1.399(4) . ?
C12 C13 1.392(5) . ?
C12 C17 1.503(5) . ?
C13 C14 1.346(7) . ?
C13 H13 0.9500 . ?
C14 C15 1.385(7) . ?
C14 H14 0.9500 . ?
C15 C16 1.405(5) . ?
C15 H15 0.9500 . ?
C16 C20 1.514(5) . ?
C17 C18 1.529(5) . ?
C17 C19 1.532(6) . ?
C17 H17 1.0000 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C21 1.495(7) . ?
C20 C22 1.508(6) . ?
C20 H20 1.0000 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.401(4) . ?
C23 C28 1.402(4) . ?
C24 C25 1.389(4) . ?
C24 C29 1.518(4) . ?
C25 C26 1.376(5) . ?
C25 H25 0.9500 . ?
C26 C27 1.389(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.389(4) . ?
C27 H27 0.9500 . ?
C28 C32 1.520(4) . ?
C29 C31 1.522(5) . ?
C29 C30 1.529(5) . ?
C29 H29 1.0000 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C33 1.519(5) . ?
C32 C34 1.519(5) . ?
C32 H32 1.0000 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
B101 C101 1.632(4) . ?
B101 C109 1.633(4) . ?
B101 C117 1.646(4) . ?
B101 C125 1.647(4) . ?
C101 C102 1.399(4) . ?
C101 C106 1.400(4) . ?
C102 C103 1.387(4) . ?
C102 H102 0.9500 . ?
C103 C104 1.380(4) . ?
C103 C107 1.495(5) . ?
C104 C105 1.381(4) . ?
C104 H104 0.9500 . ?
C105 C106 1.384(4) . ?
C105 C108 1.493(4) . ?
C106 H106 0.9500 . ?
C107 F5 1.294(10) . ?
C107 F4A 1.301(16) . ?
C107 F6A 1.31(2) . ?
C107 F4 1.314(13) . ?
C107 F6 1.336(13) . ?
C107 F5A 1.344(17) . ?
C108 F2A 1.131(8) . ?
C108 F1A 1.272(11) . ?
C108 F3 1.288(4) . ?
C108 F2 1.338(5) . ?
C108 F1 1.390(5) . ?
C108 F3A 1.408(12) . ?
C109 C110 1.395(4) . ?
C109 C114 1.401(4) . ?
C110 C111 1.391(4) . ?
C110 H110 0.9500 . ?
C111 C112 1.388(4) . ?
C111 C115 1.494(4) . ?
C112 C113 1.380(4) . ?
C112 H112 0.9500 . ?
C113 C114 1.384(4) . ?
C113 C116 1.492(4) . ?
C114 H114 0.9500 . ?
C115 F10 1.316(4) . ?
C115 F11 1.324(4) . ?
C115 F12 1.354(5) . ?
C116 F8A 1.14(4) . ?
C116 F7 1.317(5) . ?
C116 F9 1.324(4) . ?
C116 F8 1.338(5) . ?
C116 F9A 1.34(4) . ?
C116 F7A 1.37(4) . ?
C117 C118 1.401(4) . ?
C117 C122 1.405(4) . ?
C118 C119 1.392(4) . ?
C118 H118 0.9500 . ?
C119 C120 1.382(4) . ?
C119 C123 1.484(5) . ?
C120 C121 1.374(4) . ?
C120 H120 0.9500 . ?
C121 C122 1.389(4) . ?
C121 C124 1.492(5) . ?
C122 H122 0.9500 . ?
C123 F15A 1.21(3) . ?
C123 F13A 1.289(19) . ?
C123 F15 1.292(6) . ?
C123 F13 1.313(5) . ?
C123 F14 1.315(6) . ?
C123 F14A 1.36(2) . ?
C124 F18 1.184(10) . ?
C124 F17A 1.287(8) . ?
C124 F16A 1.289(10) . ?
C124 F16 1.313(13) . ?
C124 F17 1.406(9) . ?
C124 F18A 1.433(12) . ?
C125 C130 1.400(4) . ?
C125 C126 1.402(4) . ?
C126 C127 1.389(4) . ?
C126 H126 0.9500 . ?
C127 C128 1.384(4) . ?
C127 C131 1.496(4) . ?
C128 C129 1.381(4) . ?
C128 H128 0.9500 . ?
C129 C130 1.389(4) . ?
C129 C132 1.496(4) . ?
C130 H130 0.9500 . ?
C131 F20 1.328(4) . ?
C131 F19 1.335(4) . ?
C131 F21 1.344(4) . ?
C132 F23 1.263(9) . ?
C132 F22A 1.275(13) . ?
C132 F24A 1.286(15) . ?
C132 F22 1.305(8) . ?
C132 F24 1.320(9) . ?
C132 F23A 1.351(14) . ?
