#------------------------------------------------------------------------------
#$Date: 2025-07-06 19:39:12 +0200 (Sun 06 de Jul de 2025) $
#$Revision: 301072 $
#$URL: svn://www.crystallography.net/cod/cif/7/06/37/7063759.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_7063759
loop_
_publ_author_name
'Tolstikov, Svyatoslav E.'
'Kolesnikov, Andrey E.'
'Smirnova, Kristina A.'
'Letyagin, Gleb A.'
'Bogomyakov, Artem S.'
'Romanenko, Galina V.'
'Ovcharenko, Victor I.'
_publ_section_title
;
 Heterospin molecular complexes of Cu(hfac)2 with pyridyl-substituted
 nitronyl nitroxides: peculiarities of structure and magnetic properties
;
_journal_issue                   18
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              7655
_journal_page_last               7660
_journal_paper_doi               10.1039/D5NJ00967G
_journal_volume                  49
_journal_year                    2025
_chemical_formula_sum            'C56 H44 Cu2 F24 N6 O12'
_chemical_formula_weight         1576.05
_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-2018/3
_audit_update_record
;
2023-12-29 deposited with the CCDC.	2025-04-09 downloaded from the CCDC.
;
_cell_angle_alpha                93.6043(16)
_cell_angle_beta                 108.7135(11)
_cell_angle_gamma                115.5974(11)
_cell_formula_units_Z            1
_cell_length_a                   10.1260(2)
_cell_length_b                   11.9623(4)
_cell_length_c                   15.7188(4)
_cell_measurement_reflns_used    9973
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      67.66
_cell_measurement_theta_min      3.05
_cell_volume                     1580.48(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0301
_diffrn_reflns_av_unetI/netI     0.0245
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            24018
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        67.662
_diffrn_reflns_theta_max         67.662
_diffrn_reflns_theta_min         3.054
_exptl_absorpt_coefficient_mu    2.065
_exptl_absorpt_correction_T_max  0.7530
_exptl_absorpt_correction_T_min  0.6308
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2012/1
_exptl_crystal_colour            red_brown
_exptl_crystal_density_diffrn    1.656
_exptl_crystal_description       plate
_exptl_crystal_F_000             792
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.729
_refine_diff_density_min         -0.806
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     536
_refine_ls_number_reflns         5662
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0538
_refine_ls_R_factor_gt           0.0484
_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)+(0.0555P)²+2.1798P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1246
_refine_ls_wR_factor_ref         0.1293
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5065
_reflns_number_total             5662
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5nj00967g2.cif
_cod_data_source_block           200z
_cod_depositor_comments
'Adding full bibliography for 7063753--7063771.cif.'
_cod_original_cell_volume        1580.48(7)
_cod_database_code               7063759
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
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
Cu Cu 0.71805(4) 0.60157(4) 0.70455(3) 0.03562(14) Uani 1 1 d . . . . .
O1 O 0.4671(3) 0.5605(2) 0.65188(15) 0.0507(5) Uani 1 1 d . . . . .
C1 C 0.2414(4) 0.5699(4) 0.6481(3) 0.0621(10) Uani 1 1 d D . . . .
F1 F 0.1821(12) 0.6303(12) 0.6774(8) 0.087(4) Uani 0.5 1 d . . P A 1
F2 F 0.1682(12) 0.4517(7) 0.6591(7) 0.078(2) Uani 0.5 1 d . . P A 1
F3 F 0.1997(14) 0.5578(12) 0.5576(5) 0.101(4) Uani 0.5 1 d D . P A 1
F1A F 0.2117(17) 0.6645(16) 0.6548(14) 0.158(8) Uani 0.5 1 d . . P A 2
F2A F 0.1640(15) 0.4950(18) 0.6887(15) 0.215(8) Uani 0.5 1 d . . P A 2
F3A F 0.1698(15) 0.5151(14) 0.5627(7) 0.150(7) Uani 0.5 1 d D . P A 2
C2 C 0.4187(4) 0.6193(3) 0.6913(2) 0.0469(7) Uani 1 1 d . . . . .
C3 C 0.5030(4) 0.7234(3) 0.7670(2) 0.0503(8) Uani 1 1 d . . . . .
H3 H 0.445173 0.750676 0.792126 0.060 Uiso 1 1 calc R U . . .
C4 C 0.6679(4) 0.7892(4) 0.8074(2) 0.0565(9) Uani 1 1 d . . . . .
C5 C 0.7464(5) 0.8949(4) 0.8912(3) 0.0703(11) Uani 1 1 d . . . . .
F4 F 0.8441(15) 0.9964(10) 0.8706(7) 0.0579(18) Uani 0.5 1 d . . P B 1
F5 F 0.8090(18) 0.8850(13) 0.9746(8) 0.098(3) Uani 0.5 1 d . . P B 1
F6 F 0.6411(4) 0.9183(3) 0.9156(2) 0.1190(12) Uani 1 1 d . . . . .
F4A F 0.8360(17) 1.0220(11) 0.8956(9) 0.084(3) Uani 0.5 1 d . . P B 2
F5A F 0.8427(14) 0.8657(11) 0.9577(7) 0.082(3) Uani 0.5 1 d . . P B 2
O2 O 0.7633(3) 0.7715(3) 0.78066(19) 0.0686(8) Uani 1 1 d . . . . .
O1R O 0.6802(2) 0.43596(17) 0.62607(13) 0.0339(4) Uani 1 1 d . . . . .
N2R N 0.6184(2) 0.3206(2) 0.63680(14) 0.0292(4) Uani 1 1 d . . . . .
O3 O 0.6866(3) 0.5236(2) 0.80701(15) 0.0532(6) Uani 1 1 d . . . . .
C3R C 0.7183(3) 0.2571(3) 0.67204(19) 0.0355(6) Uani 1 1 d . . . . .
O4 O 0.9716(3) 0.6702(2) 0.77861(14) 0.0493(5) Uani 1 1 d . . . . .
C4R C 0.8589(4) 0.3407(3) 0.7612(2) 0.0529(8) Uani 1 1 d . . . . .
H4RA H 0.927997 0.420188 0.749238 0.079 Uiso 1 1 calc R U . . .
H4RB H 0.918773 0.295561 0.784769 0.079 Uiso 1 1 calc R U . . .
H4RC H 0.820795 0.360338 0.807076 0.079 Uiso 1 1 calc R U . . .
C5R C 0.7766(4) 0.2404(3) 0.5963(2) 0.0460(7) Uani 1 1 d . . . . .
H5RA H 0.685414 0.184979 0.539269 0.069 Uiso 1 1 calc R U . . .
H5RB H 0.845797 0.201608 0.615786 0.069 Uiso 1 1 calc R U . . .
H5RC H 0.836188 0.323820 0.585089 0.069 Uiso 1 1 calc R U . . .
C6 C 0.7151(6) 0.5272(4) 0.9598(3) 0.0667(10) Uani 1 1 d . . . . .
F7 F 0.8137(4) 0.5705(4) 1.04642(17) 0.1246(14) Uani 1 1 d . . . . .
F8 F 0.626(2) 0.5836(19) 0.9694(11) 0.108(5) Uani 0.5 1 d . . P C 1
F9 F 0.6357(4) 0.4019(3) 0.94450(19) 0.1083(11) Uani 1 1 d . . . . .
F8A F 0.590(2) 0.5422(19) 0.9397(11) 0.100(5) Uani 0.5 1 d . . P C 2
C6R C 0.5922(3) 0.1298(3) 0.68104(19) 0.0385(6) Uani 1 1 d . . . . .
C7 C 0.7897(4) 0.5703(3) 0.8912(2) 0.0507(8) Uani 1 1 d . . . . .
C7R C 0.5791(5) 0.1362(4) 0.7752(2) 0.0588(9) Uani 1 1 d . . . . .
H7RA H 0.571090 0.212492 0.792434 0.088 Uiso 1 1 calc R U . . .
H7RB H 0.673496 0.139970 0.821720 0.088 Uiso 1 1 calc R U . . .
H7RC H 0.484187 0.060047 0.771867 0.088 Uiso 1 1 calc R U . . .
C8 C 0.9510(4) 0.6490(3) 0.9232(2) 0.0508(8) Uani 1 1 d . . . . .
H8 H 1.011138 0.673770 0.987942 0.061 Uiso 1 1 calc R U . . .
C8R C 0.6046(4) 0.0123(3) 0.6520(2) 0.0500(8) Uani 1 1 d . . . . .
H8RA H 0.596348 0.003067 0.587856 0.075 Uiso 1 1 calc R U . . .
H8RB H 0.518394 -0.063428 0.657167 0.075 Uiso 1 1 calc R U . . .
H8RC H 0.707021 0.021483 0.692318 0.075 Uiso 1 1 calc R U . . .
C9 C 1.0303(4) 0.6942(3) 0.8639(2) 0.0452(7) Uani 1 1 d . . . . .
N9R N 0.4422(3) 0.1218(2) 0.61384(15) 0.0331(5) Uani 1 1 d . . . . .
C10 C 1.2093(5) 0.7780(4) 0.9071(3) 0.0672(10) Uani 1 1 d D . . . .
F10 F 1.2719(16) 0.8275(19) 0.9948(10) 0.109(5) Uani 0.5 1 d . . P D 1
F11 F 1.2708(17) 0.7016(13) 0.8932(9) 0.109(5) Uani 0.5 1 d D . P D 1
F12 F 1.2623(14) 0.8574(13) 0.8586(10) 0.099(4) Uani 0.5 1 d . . P D 1
F10A F 1.2656(17) 0.7982(18) 0.9961(9) 0.098(5) Uani 0.5 1 d . . P D 2
F11A F 1.2832(15) 0.7265(16) 0.8832(8) 0.142(7) Uani 0.5 1 d D . P D 2
F12A F 1.2403(19) 0.8927(15) 0.8903(13) 0.169(8) Uani 0.5 1 d . . P D 2
O10R O 0.3104(2) 0.01894(19) 0.58090(15) 0.0441(5) Uani 1 1 d . . . . .
C11R C 0.4634(3) 0.2369(2) 0.59933(17) 0.0291(5) Uani 1 1 d . . . . .
C12R C 0.3376(3) 0.2609(2) 0.54062(17) 0.0280(5) Uani 1 1 d . . . . .
C13R C 0.3578(3) 0.3106(2) 0.46592(17) 0.0291(5) Uani 1 1 d . . . . .
H13R H 0.456640 0.336463 0.459919 0.035 Uiso 1 1 calc R U . . .
N14R N 0.2452(2) 0.3241(2) 0.40175(14) 0.0287(4) Uani 1 1 d . . . . .
C15R C 0.1055(3) 0.2860(3) 0.41133(18) 0.0337(6) Uani 1 1 d . . . . .
H15R H 0.023006 0.292952 0.365720 0.040 Uiso 1 1 calc R U . . .
C16R C 0.0779(3) 0.2374(3) 0.48442(18) 0.0332(6) Uani 1 1 d . . . . .
H16R H -0.022555 0.211602 0.488118 0.040 Uiso 1 1 calc R U . . .
C17R C 0.1949(3) 0.2256(2) 0.55308(18) 0.0289(5) Uani 1 1 d . . . . .
C18R C 0.1697(3) 0.1809(3) 0.63508(18) 0.0318(5) Uani 1 1 d . . . . .
C19R C 0.0294(3) 0.0739(3) 0.6246(2) 0.0360(6) Uani 1 1 d . . . . .
H19R H -0.050967 0.029879 0.564710 0.043 Uiso 1 1 calc R U . . .
C20R C 0.0065(4) 0.0311(3) 0.7013(2) 0.0468(7) Uani 1 1 d . . . . .
H20R H -0.088046 -0.043607 0.693700 0.056 Uiso 1 1 calc R U . . .
C21R C 0.1209(4) 0.0970(4) 0.7887(2) 0.0581(9) Uani 1 1 d . . . . .
H21R H 0.105310 0.067572 0.841183 0.070 Uiso 1 1 calc R U . . .
C22R C 0.2576(4) 0.2053(4) 0.7998(2) 0.0617(10) Uani 1 1 d . . . . .
H22R H 0.334852 0.251518 0.860162 0.074 Uiso 1 1 calc R U . . .
C23R C 0.2835(4) 0.2475(3) 0.7237(2) 0.0457(7) Uani 1 1 d . . . . .
H23R H 0.378879 0.321775 0.731978 0.055 Uiso 1 1 calc R U . . .
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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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'
Cu Cu -1.9646 0.5888 '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
O3 Cu N14R 177.13(10) . 2_666 ?
O3 Cu O2 88.60(10) . . ?
N14R Cu O2 93.79(9) 2_666 . ?
O3 Cu O1R 93.43(10) . . ?
N14R Cu O1R 84.14(8) 2_666 . ?
O2 Cu O1R 177.48(8) . . ?
O3 Cu O4 87.08(9) . . ?
N14R Cu O4 91.58(8) 2_666 . ?
O2 Cu O4 84.26(9) . . ?
O1R Cu O4 94.34(8) . . ?
O3 Cu O1 89.06(9) . . ?
N14R Cu O1 92.73(8) 2_666 . ?
O2 Cu O1 84.81(9) . . ?
O1R Cu O1 96.70(8) . . ?
O4 Cu O1 168.50(8) . . ?
C2 O1 Cu 122.5(2) . . ?
F2A C1 F3A 106.0(11) . . ?
F2A C1 F1A 103.9(11) . . ?
F3A C1 F1A 104.1(11) . . ?
F1 C1 F3 109.3(9) . . ?
F1 C1 F2 105.7(8) . . ?
F3 C1 F2 105.5(7) . . ?
F1 C1 C2 118.9(5) . . ?
F2A C1 C2 114.3(8) . . ?
F3A C1 C2 117.9(7) . . ?
F1A C1 C2 109.3(7) . . ?
F3 C1 C2 108.0(6) . . ?
F2 C1 C2 108.7(6) . . ?
O1 C2 C3 129.9(3) . . ?
O1 C2 C1 114.0(3) . . ?
C3 C2 C1 116.1(3) . . ?
C4 C3 C2 123.0(3) . . ?
O2 C4 C3 127.3(4) . . ?
O2 C4 C5 113.9(3) . . ?
C3 C4 C5 118.7(4) . . ?
F5 C5 F4 113.0(10) . . ?
F5 C5 F6 89.6(6) . . ?
F4 C5 F6 111.1(6) . . ?
F5A C5 F6 115.1(6) . . ?
F5A C5 F4A 105.5(9) . . ?
F6 C5 F4A 91.5(6) . . ?
F5 C5 C4 123.9(6) . . ?
F4 C5 C4 105.4(5) . . ?
F5A C5 C4 106.1(5) . . ?
F6 C5 C4 113.1(3) . . ?
F4A C5 C4 125.3(6) . . ?
C4 O2 Cu 126.1(3) . . ?
N2R O1R Cu 128.82(15) . . ?
O1R N2R C11R 124.7(2) . . ?
O1R N2R C3R 121.5(2) . . ?
C11R N2R C3R 112.0(2) . . ?
C7 O3 Cu 123.4(2) . . ?
N2R C3R C4R 110.8(2) . . ?
N2R C3R C5R 105.2(2) . . ?
C4R C3R C5R 109.9(3) . . ?
N2R C3R C6R 100.6(2) . . ?
C4R C3R C6R 115.5(3) . . ?
C5R C3R C6R 113.9(2) . . ?
C9 O4 Cu 120.7(2) . . ?
F8A C6 F7 116.1(7) . . ?
F8A C6 F9 94.6(10) . . ?
F7 C6 F9 107.4(3) . . ?
F7 C6 F8 94.8(8) . . ?
F9 C6 F8 112.0(10) . . ?
F8A C6 C7 109.1(9) . . ?
F7 C6 C7 115.1(4) . . ?
F9 C6 C7 112.8(3) . . ?
F8 C6 C7 113.4(10) . . ?
N9R C6R C8R 109.6(2) . . ?
N9R C6R C7R 106.0(2) . . ?
C8R C6R C7R 110.9(3) . . ?
N9R C6R C3R 100.3(2) . . ?
C8R C6R C3R 115.0(2) . . ?
C7R C6R C3R 114.1(3) . . ?
O3 C7 C8 129.1(3) . . ?
O3 C7 C6 112.1(3) . . ?
C8 C7 C6 118.8(3) . . ?
C7 C8 C9 122.6(3) . . ?
O4 C9 C8 127.3(3) . . ?
O4 C9 C10 114.8(3) . . ?
C8 C9 C10 117.8(3) . . ?
O10R N9R C11R 125.3(2) . . ?
O10R N9R C6R 122.9(2) . . ?
C11R N9R C6R 111.6(2) . . ?
F11A C10 F10A 103.4(10) . . ?
F10 C10 F12 114.1(11) . . ?
F11A C10 F12A 116.0(11) . . ?
F10A C10 F12A 104.8(12) . . ?
F10 C10 F11 106.7(10) . . ?
F12 C10 F11 98.2(8) . . ?
F11A C10 C9 112.7(7) . . ?
F10 C10 C9 117.0(7) . . ?
F10A C10 C9 112.6(8) . . ?
F12 C10 C9 112.8(7) . . ?
F12A C10 C9 107.2(8) . . ?
F11 C10 C9 105.7(7) . . ?
N2R C11R N9R 109.2(2) . . ?
N2R C11R C12R 125.8(2) . . ?
N9R C11R C12R 124.5(2) . . ?
C13R C12R C17R 119.8(2) . . ?
C13R C12R C11R 117.3(2) . . ?
C17R C12R C11R 122.6(2) . . ?
N14R C13R C12R 123.2(2) . . ?
C13R N14R C15R 117.4(2) . . ?
C13R N14R Cu 121.49(17) . 2_666 ?
C15R N14R Cu 121.15(17) . 2_666 ?
N14R C15R C16R 122.6(2) . . ?
C15R C16R C17R 120.9(2) . . ?
C16R C17R C12R 116.0(2) . . ?
C16R C17R C18R 121.3(2) . . ?
C12R C17R C18R 122.7(2) . . ?
C19R C18R C23R 119.1(3) . . ?
C19R C18R C17R 120.3(2) . . ?
C23R C18R C17R 120.6(2) . . ?
C20R C19R C18R 120.3(3) . . ?
C21R C20R C19R 120.0(3) . . ?
C22R C21R C20R 120.1(3) . . ?
C21R C22R C23R 120.6(3) . . ?
C22R C23R C18R 119.9(3) . . ?
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
Cu O3 1.956(2) . ?
Cu N14R 2.005(2) 2_666 ?
Cu O2 2.076(3) . ?
Cu O1R 2.0802(18) . ?
Cu O4 2.182(2) . ?
Cu O1 2.215(2) . ?
O1 C2 1.248(4) . ?
C1 F1 1.267(11) . ?
C1 F2A 1.269(15) . ?
C1 F3A 1.269(10) . ?
C1 F1A 1.297(18) . ?
C1 F3 1.327(8) . ?
C1 F2 1.336(11) . ?
C1 C2 1.511(5) . ?
C2 C3 1.392(5) . ?
C3 C4 1.390(5) . ?
C4 O2 1.258(4) . ?
C4 C5 1.489(6) . ?
C5 F5 1.298(13) . ?
C5 F4 1.332(13) . ?
C5 F5A 1.361(12) . ?
C5 F6 1.366(5) . ?
C5 F4A 1.376(14) . ?
O1R N2R 1.294(3) . ?
N2R C11R 1.337(3) . ?
N2R C3R 1.504(3) . ?
O3 C7 1.292(4) . ?
C3R C4R 1.518(4) . ?
C3R C5R 1.527(4) . ?
C3R C6R 1.560(4) . ?
O4 C9 1.235(4) . ?
C6 F8A 1.30(2) . ?
C6 F7 1.308(5) . ?
C6 F9 1.319(5) . ?
C6 F8 1.37(2) . ?
C6 C7 1.501(5) . ?
C6R N9R 1.505(3) . ?
C6R C8R 1.520(4) . ?
C6R C7R 1.528(4) . ?
C7 C8 1.376(5) . ?
C8 C9 1.405(5) . ?
C9 C10 1.519(5) . ?
N9R O10R 1.273(3) . ?
N9R C11R 1.346(3) . ?
C10 F11A 1.277(11) . ?
C10 F10 1.290(15) . ?
C10 F10A 1.291(14) . ?
C10 F12 1.298(13) . ?
C10 F12A 1.333(17) . ?
C10 F11 1.352(10) . ?
C11R C12R 1.467(3) . ?
C12R C13R 1.383(4) . ?
C12R C17R 1.403(4) . ?
C13R N14R 1.336(3) . ?
N14R C15R 1.349(3) . ?
C15R C16R 1.373(4) . ?
C16R C17R 1.390(4) . ?
C17R C18R 1.480(4) . ?
C18R C19R 1.392(4) . ?
C18R C23R 1.393(4) . ?
C19R C20R 1.387(4) . ?
C20R C21R 1.380(5) . ?
C21R C22R 1.375(5) . ?
C22R C23R 1.384(5) . ?
