#------------------------------------------------------------------------------
#$Date: 2021-09-06 15:03:36 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268869 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/03/7060335.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_7060335
loop_
_publ_author_name
'Ertler, Daniel'
'Kuntze-Fechner, Maximilian W.'
'Dürr, Simon'
'Lubitz, Katharina'
'Radius, Udo'
_publ_section_title
;
 C--F bond activation of perfluorinated arenes using NHC-stabilized cobalt
 half-sandwich complexes
;
_journal_issue                   33
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              14999
_journal_page_last               15016
_journal_paper_doi               10.1039/D0NJ06137A
_journal_volume                  45
_journal_year                    2021
_chemical_formula_moiety         'C26 H31 Co F7 N2'
_chemical_formula_sum            'C26 H31 Co F7 N2'
_chemical_formula_weight         563.46
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2020-12-15 deposited with the CCDC.	2021-01-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.075(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.0164(19)
_cell_length_b                   18.981(4)
_cell_length_c                   14.424(3)
_cell_measurement_reflns_used    9009
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.22
_cell_measurement_theta_min      2.22
_cell_volume                     2635.1(9)
_computing_cell_refinement       'Saint-NT v. 7.23'
_computing_data_collection       'Smart-NT v. 5.63'
_computing_data_reduction        'Saint-NT v. 7.23'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_unetI/netI     0.0377
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5245
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.120
_diffrn_reflns_theta_min         1.819
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.718
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.6320
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SadAbs-2008/1 (Bruker, 2008)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.420
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1164
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.928
_refine_diff_density_min         -0.397
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         5245
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0763
_refine_ls_R_factor_gt           0.0614
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0937P)²+2.7496P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1651
_refine_ls_wR_factor_ref         0.1805
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4196
_reflns_number_total             5245
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0nj06137a2.cif
_cod_data_source_block           compound_11
_cod_depositor_comments
'Adding full bibliography for 7060330--7060340.cif.'
_cod_original_cell_volume        2635.2(9)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7060335
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
Co Co 0.75581(5) 0.35212(2) 0.87204(3) 0.04595(19) Uani 1 1 d . . . . .
F1 F 0.8499(2) 0.19275(12) 0.89118(18) 0.0633(6) Uani 1 1 d . . . . .
C1 C 0.7177(3) 0.35444(17) 0.7329(2) 0.0440(7) Uani 1 1 d . . . . .
N1 N 0.6092(3) 0.38580(16) 0.6680(2) 0.0484(7) Uani 1 1 d . . . . .
F2 F 0.7139(3) 0.07600(12) 0.89134(19) 0.0733(7) Uani 1 1 d . . . . .
N2 N 0.7911(3) 0.32402(16) 0.6768(2) 0.0501(7) Uani 1 1 d . . . . .
C2 C 0.6152(5) 0.3751(2) 0.5750(3) 0.0623(10) Uani 1 1 d . . . . .
H2A H 0.550827 0.391752 0.517710 0.075 Uiso 1 1 calc R U . . .
C3 C 0.7292(5) 0.3368(2) 0.5807(3) 0.0638(10) Uani 1 1 d . . . . .
H3A H 0.761422 0.321246 0.528136 0.077 Uiso 1 1 calc R U . . .
F3 F 0.3013(3) 0.20576(18) 0.8596(2) 0.0928(9) Uani 1 1 d . . . . .
C4 C 0.4997(4) 0.4265(2) 0.6930(3) 0.0546(9) Uani 1 1 d . . . . .
H4A H 0.521585 0.427655 0.764985 0.065 Uiso 1 1 calc R U . . .
F4 F 0.4404(3) 0.32391(15) 0.8628(2) 0.0803(8) Uani 1 1 d . . . . .
C5 C 0.3582(4) 0.3911(3) 0.6544(4) 0.0756(12) Uani 1 1 d . . . . .
H5A H 0.363402 0.342481 0.677800 0.113 Uiso 1 1 calc R U . . .
H5B H 0.332002 0.391231 0.583700 0.113 Uiso 1 1 calc R U . . .
H5C H 0.288475 0.417046 0.676878 0.113 Uiso 1 1 calc R U . . .
F5 F 0.3306(5) 0.0599(2) 0.7864(3) 0.1378(16) Uani 1 1 d . . . . .
C6 C 0.4978(5) 0.5024(2) 0.6579(4) 0.0807(14) Uani 1 1 d . . . . .
H6A H 0.592173 0.521702 0.677784 0.121 Uiso 1 1 calc R U . . .
H6B H 0.436945 0.530749 0.685875 0.121 Uiso 1 1 calc R U . . .
H6C H 0.462981 0.503503 0.587334 0.121 Uiso 1 1 calc R U . . .
F6 F 0.4928(4) 0.01039(17) 0.8822(3) 0.1142(12) Uani 1 1 d . . . . .
C7 C 0.9174(4) 0.2821(2) 0.7137(3) 0.0582(9) Uani 1 1 d . . . . .
H7A H 0.942452 0.283071 0.785780 0.070 Uiso 1 1 calc R U . . .
F7 F 0.3542(4) 0.06755(17) 0.9372(3) 0.1120(12) Uani 1 1 d . . . . .
C8 C 1.0372(5) 0.3143(3) 0.6824(4) 0.0849(14) Uani 1 1 d . . . . .
H8A H 1.048479 0.363796 0.702510 0.127 Uiso 1 1 calc R U . . .
H8B H 1.017251 0.311467 0.612047 0.127 Uiso 1 1 calc R U . . .
H8C H 1.122956 0.288487 0.712497 0.127 Uiso 1 1 calc R U . . .
C9 C 0.8911(5) 0.2058(2) 0.6813(4) 0.0759(12) Uani 1 1 d . . . . .
H9A H 0.811344 0.187588 0.700706 0.114 Uiso 1 1 calc R U . . .
H9B H 0.973515 0.177451 0.711347 0.114 Uiso 1 1 calc R U . . .
H9C H 0.871553 0.203229 0.610934 0.114 Uiso 1 1 calc R U . . .
C10 C 0.6531(4) 0.26556(19) 0.8751(2) 0.0493(8) Uani 1 1 d . . . . .
C11 C 0.7113(4) 0.19930(19) 0.8828(2) 0.0496(8) Uani 1 1 d . . . . .
C12 C 0.6417(4) 0.1369(2) 0.8828(3) 0.0537(9) Uani 1 1 d . . . . .
C13 C 0.5016(4) 0.1360(2) 0.8745(3) 0.0588(10) Uani 1 1 d . . . . .
C14 C 0.4391(4) 0.2015(3) 0.8679(3) 0.0618(10) Uani 1 1 d . . . . .
C15 C 0.5121(4) 0.2627(2) 0.8690(3) 0.0554(9) Uani 1 1 d . . . . .
C20 C 0.8805(5) 0.3557(2) 1.0145(3) 0.0677(11) Uani 1 1 d . . . . .
C21 C 0.9533(4) 0.3842(3) 0.9550(3) 0.0695(12) Uani 1 1 d . . . . .
C22 C 0.8676(5) 0.4450(2) 0.9061(3) 0.0692(12) Uani 1 1 d . . . . .
C23 C 0.7539(5) 0.4492(2) 0.9440(3) 0.0668(11) Uani 1 1 d . . . . .
C24 C 0.7592(6) 0.3943(3) 1.0073(3) 0.0759(12) Uani 1 1 d . . . . .
C25 C 0.9270(7) 0.2952(3) 1.0847(4) 0.103(2) Uani 1 1 d . . . . .
H25A H 0.957336 0.313678 1.150724 0.155 Uiso 1 1 calc R U . . .
H25B H 1.004252 0.270380 1.069840 0.155 Uiso 1 1 calc R U . . .
H25C H 0.849348 0.262562 1.079042 0.155 Uiso 1 1 calc R U . . .
C26 C 1.0905(6) 0.3618(4) 0.9463(5) 0.124(3) Uani 1 1 d . . . . .
H26A H 1.163212 0.378444 1.002483 0.187 Uiso 1 1 calc R U . . .
H26B H 1.105629 0.381843 0.887426 0.187 Uiso 1 1 calc R U . . .
H26C H 1.093573 0.310281 0.943217 0.187 Uiso 1 1 calc R U . . .
C27 C 0.9062(8) 0.4948(3) 0.8374(4) 0.115(2) Uani 1 1 d . . . . .
H27A H 0.966832 0.531768 0.873776 0.173 Uiso 1 1 calc R U . . .
H27B H 0.821869 0.516206 0.795567 0.173 Uiso 1 1 calc R U . . .
H27C H 0.955138 0.469014 0.797844 0.173 Uiso 1 1 calc R U . . .
C28 C 0.6394(7) 0.5053(3) 0.9219(5) 0.107(2) Uani 1 1 d . . . . .
H28A H 0.649330 0.535376 0.978679 0.160 Uiso 1 1 calc R U . . .
H28B H 0.548282 0.482306 0.905528 0.160 Uiso 1 1 calc R U . . .
H28C H 0.647343 0.534223 0.867369 0.160 Uiso 1 1 calc R U . . .
C29 C 0.6564(7) 0.3783(4) 1.0651(4) 0.109(2) Uani 1 1 d . . . . .
H29A H 0.683051 0.404311 1.126100 0.164 Uiso 1 1 calc R U . . .
H29B H 0.657015 0.327634 1.078357 0.164 Uiso 1 1 calc R U . . .
H29C H 0.562875 0.392628 1.027875 0.164 Uiso 1 1 calc R U . . .
C16 C 0.4175(5) 0.0706(3) 0.8701(3) 0.0754(12) 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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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 Co C10 95.10(14) . . ?
C1 Co C22 99.47(15) . . ?
C10 Co C22 165.26(15) . . ?
C1 Co C20 155.66(18) . . ?
C10 Co C20 100.44(16) . . ?
C22 Co C20 66.60(17) . . ?
C1 Co C21 117.95(17) . . ?
C10 Co C21 130.76(18) . . ?
C22 Co C21 41.96(19) . . ?
C20 Co C21 38.51(19) . . ?
C1 Co C24 154.38(18) . . ?
C10 Co C24 99.99(17) . . ?
C22 Co C24 65.61(18) . . ?
C20 Co C24 38.94(19) . . ?
C21 Co C24 65.74(19) . . ?
C1 Co C23 117.53(16) . . ?
C10 Co C23 130.33(17) . . ?
C22 Co C23 38.87(18) . . ?
C20 Co C23 64.73(18) . . ?
C21 Co C23 66.59(18) . . ?
C24 Co C23 38.10(18) . . ?
N1 C1 N2 103.6(3) . . ?
N1 C1 Co 127.9(3) . . ?
N2 C1 Co 128.4(3) . . ?
C1 N1 C2 111.4(3) . . ?
C1 N1 C4 124.8(3) . . ?
C2 N1 C4 123.8(3) . . ?
C1 N2 C3 110.9(3) . . ?
C1 N2 C7 124.6(3) . . ?
C3 N2 C7 124.4(3) . . ?
C3 C2 N1 106.7(4) . . ?
C3 C2 H2A 126.7 . . ?
N1 C2 H2A 126.7 . . ?
C2 C3 N2 107.3(3) . . ?
C2 C3 H3A 126.3 . . ?
N2 C3 H3A 126.3 . . ?
N1 C4 C6 110.9(3) . . ?
N1 C4 C5 111.1(3) . . ?
C6 C4 C5 111.6(4) . . ?
N1 C4 H4A 107.7 . . ?
C6 C4 H4A 107.7 . . ?
C5 C4 H4A 107.7 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N2 C7 C9 110.3(3) . . ?
N2 C7 C8 110.3(4) . . ?
C9 C7 C8 112.0(4) . . ?
N2 C7 H7A 108.0 . . ?
C9 C7 H7A 108.0 . . ?
C8 C7 H7A 108.0 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 C15 111.6(3) . . ?
C11 C10 Co 123.9(3) . . ?
C15 C10 Co 124.5(3) . . ?
F1 C11 C12 115.2(3) . . ?
F1 C11 C10 119.2(3) . . ?
C12 C11 C10 125.7(3) . . ?
F2 C12 C11 118.6(3) . . ?
F2 C12 C13 120.3(3) . . ?
C11 C12 C13 121.1(4) . . ?
C12 C13 C14 115.2(4) . . ?
C12 C13 C16 124.4(4) . . ?
C14 C13 C16 120.4(4) . . ?
F3 C14 C15 118.6(4) . . ?
F3 C14 C13 119.4(4) . . ?
C15 C14 C13 122.0(4) . . ?
F4 C15 C14 117.0(3) . . ?
F4 C15 C10 118.7(3) . . ?
C14 C15 C10 124.3(4) . . ?
C21 C20 C24 110.3(4) . . ?
C21 C20 C25 126.4(5) . . ?
C24 C20 C25 123.1(5) . . ?
C21 C20 Co 71.1(2) . . ?
C24 C20 Co 70.9(2) . . ?
C25 C20 Co 128.4(3) . . ?
C20 C21 C26 127.2(6) . . ?
C20 C21 C22 105.3(4) . . ?
C26 C21 C22 127.5(5) . . ?
C20 C21 Co 70.4(2) . . ?
C26 C21 Co 128.3(3) . . ?
C22 C21 Co 68.1(2) . . ?
C23 C22 C21 106.4(4) . . ?
C23 C22 C27 127.8(5) . . ?
C21 C22 C27 125.5(5) . . ?
C23 C22 Co 72.3(2) . . ?
C21 C22 Co 69.9(2) . . ?
C27 C22 Co 127.0(3) . . ?
C24 C23 C22 109.3(4) . . ?
C24 C23 C28 123.6(5) . . ?
C22 C23 C28 127.1(5) . . ?
C24 C23 Co 70.2(2) . . ?
C22 C23 Co 68.9(2) . . ?
C28 C23 Co 127.6(3) . . ?
C23 C24 C20 108.7(4) . . ?
C23 C24 C29 127.2(5) . . ?
C20 C24 C29 124.0(5) . . ?
C23 C24 Co 71.7(2) . . ?
C20 C24 Co 70.2(2) . . ?
C29 C24 Co 126.3(4) . . ?
C20 C25 H25A 109.5 . . ?
C20 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C20 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C21 C26 H26A 109.5 . . ?
C21 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C21 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C22 C27 H27A 109.5 . . ?
C22 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C22 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C23 C28 H28A 109.5 . . ?
C23 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C23 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C24 C29 H29A 109.5 . . ?
C24 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C24 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
F5 C16 F7 110.3(4) . . ?
F5 C16 F6 101.3(5) . . ?
F7 C16 F6 103.7(4) . . ?
F5 C16 C13 113.3(4) . . ?
F7 C16 C13 113.1(4) . . ?
F6 C16 C13 114.2(4) . . ?
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
Co C1 1.936(3) . ?
Co C10 1.945(4) . ?
Co C22 2.074(4) . ?
Co C20 2.090(4) . ?
Co C21 2.099(4) . ?
Co C24 2.100(4) . ?
Co C23 2.118(4) . ?
F1 C11 1.366(4) . ?
C1 N1 1.360(4) . ?
C1 N2 1.363(4) . ?
N1 C2 1.374(5) . ?
N1 C4 1.466(5) . ?
F2 C12 1.352(4) . ?
N2 C3 1.374(5) . ?
N2 C7 1.465(5) . ?
C2 C3 1.337(6) . ?
C2 H2A 0.9500 . ?
C3 H3A 0.9500 . ?
F3 C14 1.354(4) . ?
C4 C6 1.526(6) . ?
C4 C5 1.527(6) . ?
C4 H4A 1.0000 . ?
F4 C15 1.357(4) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
F5 C16 1.294(6) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
F6 C16 1.353(6) . ?
C7 C9 1.522(6) . ?
C7 C8 1.522(6) . ?
C7 H7A 1.0000 . ?
F7 C16 1.298(5) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.378(5) . ?
C10 C15 1.392(5) . ?
C11 C12 1.374(5) . ?
C12 C13 1.375(6) . ?
C13 C14 1.384(6) . ?
C13 C16 1.492(6) . ?
C14 C15 1.370(6) . ?
C20 C21 1.381(7) . ?
C20 C24 1.396(7) . ?
C20 C25 1.517(6) . ?
C21 C26 1.477(7) . ?
C21 C22 1.494(7) . ?
C22 C23 1.396(6) . ?
C22 C27 1.495(6) . ?
C23 C24 1.377(7) . ?
C23 C28 1.533(7) . ?
C24 C29 1.525(7) . ?
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 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
