#------------------------------------------------------------------------------
#$Date: 2025-07-06 19:39:12 +0200 (Sun 06 de Jul de 2025) $
#$Revision: 301072 $
#$URL: svn://www.crystallography.net/cod/cif/7/06/37/7063771.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_7063771
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-2019/3
_audit_update_record
;
2023-12-29 deposited with the CCDC.	2025-04-09 downloaded from the CCDC.
;
_cell_angle_alpha                94.3542(18)
_cell_angle_beta                 108.3188(16)
_cell_angle_gamma                113.6971(18)
_cell_formula_units_Z            1
_cell_length_a                   10.1383(4)
_cell_length_b                   11.9217(5)
_cell_length_c                   15.8104(6)
_cell_measurement_reflns_used    9599
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      67.76
_cell_measurement_theta_min      3.03
_cell_volume                     1615.55(12)
_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-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.981
_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  0.0774
_diffrn_reflns_av_unetI/netI     0.0433
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.981
_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            24757
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         67.928
_diffrn_reflns_theta_min         3.027
_exptl_absorpt_coefficient_mu    2.020
_exptl_absorpt_correction_T_max  0.6326
_exptl_absorpt_correction_T_min  0.5009
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red_brown
_exptl_crystal_density_diffrn    1.620
_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         0.544
_refine_diff_density_min         -0.434
_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     559
_refine_ls_number_reflns         5764
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0578
_refine_ls_R_factor_gt           0.0510
_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)+(0.0935P)²+0.5652P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1451
_refine_ls_wR_factor_ref         0.1514
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4892
_reflns_number_total             5764
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5nj00967g2.cif
_cod_data_source_block           028-2-293
_cod_depositor_comments
'Adding full bibliography for 7063753--7063771.cif.'
_cod_original_cell_volume        1615.55(11)
_cod_database_code               7063771
_shelx_shelxl_version_number     2019/3
_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 0.40383(4) 0.39048(4) 0.29383(2) 0.04722(16) Uani 1 1 d . . . . .
O2 O 0.2532(2) 0.4289(2) 0.34424(15) 0.0642(6) Uani 1 1 d . . . . .
C1 C -0.0557(8) 0.0983(5) 0.1055(4) 0.0992(15) Uani 1 1 d . . . . .
F1 F -0.0320(13) 0.0004(10) 0.1265(8) 0.104(3) Uani 0.5 1 d . . P A 1
F2 F -0.0621(17) 0.1171(16) 0.0291(8) 0.136(5) Uani 0.5 1 d . . P A 1
F3 F -0.2174(11) 0.0700(9) 0.0932(7) 0.103(2) Uani 0.5 1 d . . P A 1
F1A F -0.0894(13) -0.0235(12) 0.0961(9) 0.107(3) Uani 0.5 1 d . . P A 2
F2A F 0.0001(19) 0.1300(15) 0.0375(9) 0.145(6) Uani 0.5 1 d . . P A 2
F3A F -0.174(2) 0.093(2) 0.0830(16) 0.274(14) Uani 0.5 1 d . . P A 2
C2 C 0.0620(5) 0.2018(4) 0.1900(3) 0.0720(9) Uani 1 1 d . . . . .
C3 C 0.0098(4) 0.2724(3) 0.2333(2) 0.0643(8) Uani 1 1 d . . . . .
H3A H -0.096202 0.249620 0.211311 0.077 Uiso 1 1 calc R U . . .
C4 C 0.1076(3) 0.3743(3) 0.3071(2) 0.0577(7) Uani 1 1 d . . . . .
C5 C 0.0306(4) 0.4301(4) 0.3536(3) 0.0783(10) Uani 1 1 d . . . . .
F4 F 0.1038(12) 0.4951(17) 0.4312(11) 0.197(9) Uani 0.5 1 d . . P B 1
F5 F -0.022(3) 0.500(2) 0.3074(16) 0.241(8) Uani 0.5 1 d . . P B 1
F6 F -0.0917(17) 0.3394(13) 0.3570(14) 0.191(8) Uani 0.5 1 d . . P B 1
F4A F 0.0708(9) 0.5473(6) 0.3449(8) 0.100(2) Uani 0.5 1 d . . P B 2
F5A F -0.1174(7) 0.3787(10) 0.3222(8) 0.120(5) Uani 0.5 1 d . . P B 2
F6A F 0.0900(15) 0.4389(13) 0.4432(5) 0.133(5) Uani 0.5 1 d . . P B 2
O1 O 0.1938(4) 0.2111(3) 0.2126(2) 0.0943(9) Uani 1 1 d . . . . .
O3 O 0.3432(3) 0.4657(2) 0.19135(15) 0.0693(6) Uani 1 1 d . . . . .
C6 C 0.5263(6) 0.2197(5) 0.0990(3) 0.0836(11) Uani 1 1 d . . . . .
F7 F 0.4466(19) 0.1694(17) 0.0155(8) 0.171(8) Uani 0.5 1 d . . P C 1
F8 F 0.6723(16) 0.2957(14) 0.1061(10) 0.134(5) Uani 0.5 1 d . . P C 1
F9 F 0.5661(13) 0.1523(9) 0.1541(7) 0.116(3) Uani 0.5 1 d . . P C 1
F7A F 0.4896(19) 0.1973(14) 0.0117(8) 0.119(4) Uani 0.5 1 d . . P C 2
F8A F 0.6678(15) 0.269(2) 0.1283(10) 0.197(9) Uani 0.5 1 d . . P C 2
F9A F 0.446(2) 0.1019(9) 0.1054(11) 0.192(6) Uani 0.5 1 d . . P C 2
C7 C 0.4670(4) 0.3006(3) 0.1394(2) 0.0579(7) Uani 1 1 d . . . . .
C8 C 0.3770(4) 0.3461(3) 0.0786(2) 0.0658(8) Uani 1 1 d . . . . .
H8A H 0.352531 0.322914 0.016066 0.079 Uiso 1 1 calc R U . . .
C9 C 0.3244(4) 0.4243(3) 0.1100(2) 0.0639(8) Uani 1 1 d . . . . .
C10 C 0.2305(6) 0.4697(5) 0.0400(3) 0.0918(13) Uani 1 1 d . . . . .
F10 F 0.232(2) 0.444(2) -0.0432(8) 0.164(8) Uani 0.5 1 d . . P D 1
F11 F 0.0724(16) 0.4139(15) 0.0290(9) 0.139(5) Uani 0.5 1 d . . P D 1
F12 F 0.281(3) 0.5924(14) 0.0610(9) 0.129(6) Uani 0.5 1 d . . P D 1
F10A F 0.304(3) 0.587(2) 0.0464(14) 0.197(9) Uani 0.5 1 d . . P D 2
F11A F 0.1186(15) 0.4704(15) 0.0634(9) 0.136(5) Uani 0.5 1 d . . P D 2
F12A F 0.169(2) 0.411(2) -0.0387(9) 0.164(8) Uani 0.5 1 d . . P D 2
O4 O 0.5102(3) 0.3230(2) 0.22359(13) 0.0619(5) Uani 1 1 d . . . . .
O1R O 0.6163(2) 0.56360(16) 0.37207(13) 0.0469(4) Uani 1 1 d . . . . .
N2R N 0.6599(2) 0.67820(18) 0.36313(13) 0.0380(4) Uani 1 1 d . . . . .
C3R C 0.7867(3) 0.7402(3) 0.32739(19) 0.0478(6) Uani 1 1 d . . . . .
C4R C 0.9351(4) 0.7551(3) 0.4009(3) 0.0656(8) Uani 1 1 d . . . . .
H4RA H 1.020872 0.794433 0.381998 0.098 Uiso 1 1 calc R U . . .
H4RB H 0.953667 0.806654 0.457104 0.098 Uiso 1 1 calc R U . . .
H4RC H 0.924763 0.673812 0.410101 0.098 Uiso 1 1 calc R U . . .
C5R C 0.7542(5) 0.6561(3) 0.2390(2) 0.0736(10) Uani 1 1 d . . . . .
H5RA H 0.835386 0.696248 0.216754 0.110 Uiso 1 1 calc R U . . .
H5RB H 0.750391 0.577058 0.250200 0.110 Uiso 1 1 calc R U . . .
H5RC H 0.656220 0.641829 0.194157 0.110 Uiso 1 1 calc R U . . .
C6R C 0.7781(3) 0.8663(3) 0.3189(2) 0.0523(6) Uani 1 1 d . . . . .
C7R C 0.6643(5) 0.8603(5) 0.2264(3) 0.0835(11) Uani 1 1 d . . . . .
H7RA H 0.705129 0.854074 0.180023 0.125 Uiso 1 1 calc R U . . .
H7RB H 0.566086 0.787967 0.211314 0.125 Uiso 1 1 calc R U . . .
H7RC H 0.650082 0.935241 0.229655 0.125 Uiso 1 1 calc R U . . .
C8R C 0.9341(4) 0.9819(3) 0.3466(3) 0.0708(9) Uani 1 1 d . . . . .
H8RA H 0.981107 0.976113 0.303412 0.106 Uiso 1 1 calc R U . . .
H8RB H 0.918608 1.056252 0.347281 0.106 Uiso 1 1 calc R U . . .
H8RC H 1.001056 0.986345 0.406552 0.106 Uiso 1 1 calc R U . . .
N9R N 0.7049(3) 0.8760(2) 0.38685(15) 0.0444(5) Uani 1 1 d . . . . .
O10R O 0.7086(3) 0.97801(18) 0.41991(16) 0.0610(5) Uani 1 1 d . . . . .
C11R C 0.6266(3) 0.7621(2) 0.40127(15) 0.0364(5) Uani 1 1 d . . . . .
C12R C 0.5362(3) 0.7396(2) 0.46019(15) 0.0351(5) Uani 1 1 d . . . . .
C13R C 0.5835(3) 0.6914(2) 0.53456(16) 0.0379(5) Uani 1 1 d . . . . .
H13A H 0.661317 0.666609 0.540076 0.045 Uiso 1 1 calc R U . . .
N14R N 0.5221(2) 0.67871(18) 0.59889(13) 0.0368(4) Uani 1 1 d . . . . .
C15R C 0.4103(3) 0.7167(2) 0.58923(17) 0.0430(5) Uani 1 1 d . . . . .
H15A H 0.367696 0.710432 0.633886 0.052 Uiso 1 1 calc R U . . .
C16R C 0.3570(3) 0.7638(2) 0.51685(17) 0.0427(5) Uani 1 1 d . . . . .
H16A H 0.279898 0.788734 0.513493 0.051 Uiso 1 1 calc R U . . .
C17R C 0.4169(3) 0.7749(2) 0.44816(16) 0.0354(5) Uani 1 1 d . . . . .
C18R C 0.3534(3) 0.8180(2) 0.36659(17) 0.0402(5) Uani 1 1 d . . . . .
C19R C 0.3126(4) 0.7519(3) 0.2793(2) 0.0603(8) Uani 1 1 d . . . . .
H19A H 0.325915 0.679565 0.271297 0.072 Uiso 1 1 calc R U . . .
C20R C 0.2516(5) 0.7933(4) 0.2035(2) 0.0827(11) Uani 1 1 d . . . . .
H20A H 0.222728 0.747631 0.144899 0.099 Uiso 1 1 calc R U . . .
C21R C 0.2337(5) 0.9007(4) 0.2144(3) 0.0784(10) Uani 1 1 d . . . . .
H21A H 0.195020 0.928717 0.163292 0.094 Uiso 1 1 calc R U . . .
C22R C 0.2729(4) 0.9673(3) 0.3007(2) 0.0611(8) Uani 1 1 d . . . . .
H22A H 0.260584 1.040159 0.307968 0.073 Uiso 1 1 calc R U . . .
C23R C 0.3312(3) 0.9254(2) 0.3772(2) 0.0469(6) Uani 1 1 d . . . . .
H23A H 0.355291 0.969293 0.435485 0.056 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 176.83(10) . 2_666 ?
O3 Cu O4 88.07(8) . . ?
N14R Cu O4 91.21(8) 2_666 . ?
O3 Cu O2 88.62(9) . . ?
N14R Cu O2 92.70(8) 2_666 . ?
O4 Cu O2 168.10(9) . . ?
O3 Cu O1R 93.18(10) . . ?
N14R Cu O1R 83.79(8) 2_666 . ?
O4 Cu O1R 94.10(8) . . ?
O2 Cu O1R 97.49(8) . . ?
O3 Cu O1 87.34(11) . . ?
N14R Cu O1 95.65(9) 2_666 . ?
O4 Cu O1 83.56(9) . . ?
O2 Cu O1 84.87(9) . . ?
O1R Cu O1 177.58(7) . . ?
C4 O2 Cu 124.8(2) . . ?
F2 C1 F1 117.1(11) . . ?
F3A C1 F1A 101.1(14) . . ?
F3A C1 F2A 107.5(16) . . ?
F1A C1 F2A 102.7(10) . . ?
F2 C1 F3 97.9(9) . . ?
F1 C1 F3 108.5(8) . . ?
F3A C1 C2 114.0(10) . . ?
F2 C1 C2 119.5(8) . . ?
F1 C1 C2 101.7(6) . . ?
F1A C1 C2 125.4(6) . . ?
F2A C1 C2 104.7(7) . . ?
F3 C1 C2 112.1(5) . . ?
O1 C2 C3 128.0(4) . . ?
O1 C2 C1 113.9(4) . . ?
C3 C2 C1 118.1(4) . . ?
C4 C3 C2 123.4(3) . . ?
O2 C4 C3 130.4(3) . . ?
O2 C4 C5 113.0(3) . . ?
C3 C4 C5 116.6(3) . . ?
F4 C5 F6 105.4(11) . . ?
F4 C5 F5 104.2(12) . . ?
F6 C5 F5 104.8(10) . . ?
F5A C5 F4A 104.2(7) . . ?
F5A C5 F6A 111.7(9) . . ?
F4A C5 F6A 105.3(7) . . ?
F4 C5 C4 119.5(7) . . ?
F5A C5 C4 117.6(5) . . ?
F6 C5 C4 108.9(6) . . ?
F5 C5 C4 112.9(8) . . ?
F4A C5 C4 108.7(5) . . ?
F6A C5 C4 108.6(6) . . ?
C2 O1 Cu 122.1(3) . . ?
C9 O3 Cu 123.9(2) . . ?
F8A C6 F7A 102.6(10) . . ?
F7 C6 F9 119.5(10) . . ?
F8A C6 F9A 120.1(12) . . ?
F7A C6 F9A 98.2(9) . . ?
F7 C6 F8 107.1(11) . . ?
F9 C6 F8 95.6(7) . . ?
F8A C6 C7 111.6(8) . . ?
F7 C6 C7 112.5(8) . . ?
F7A C6 C7 117.7(7) . . ?
F9 C6 C7 112.3(5) . . ?
F9A C6 C7 106.6(6) . . ?
F8 C6 C7 107.8(8) . . ?
O4 C7 C8 127.5(3) . . ?
O4 C7 C6 114.9(3) . . ?
C8 C7 C6 117.5(3) . . ?
C9 C8 C7 121.2(3) . . ?
O3 C9 C8 129.4(3) . . ?
O3 C9 C10 113.2(3) . . ?
C8 C9 C10 117.5(3) . . ?
F12A C10 F10A 111.3(15) . . ?
F12A C10 F11A 105.8(11) . . ?
F10A C10 F11A 98.6(14) . . ?
F12 C10 F10 105.3(12) . . ?
F12 C10 F11 107.1(12) . . ?
F10 C10 F11 105.8(11) . . ?
F12A C10 C9 118.5(11) . . ?
F10A C10 C9 111.9(12) . . ?
F11A C10 C9 108.6(7) . . ?
F12 C10 C9 112.8(8) . . ?
F10 C10 C9 113.3(9) . . ?
F11 C10 C9 112.0(7) . . ?
C7 O4 Cu 122.6(2) . . ?
N2R O1R Cu 131.32(15) . . ?
O1R N2R C11R 125.0(2) . . ?
O1R N2R C3R 121.71(19) . . ?
C11R N2R C3R 111.76(19) . . ?
N2R C3R C5R 110.0(2) . . ?
N2R C3R C4R 105.5(2) . . ?
C5R C3R C4R 109.8(3) . . ?
N2R C3R C6R 100.69(19) . . ?
C5R C3R C6R 115.9(3) . . ?
C4R C3R C6R 114.0(2) . . ?
N9R C6R C8R 109.2(2) . . ?
N9R C6R C7R 105.7(2) . . ?
C8R C6R C7R 111.2(3) . . ?
N9R C6R C3R 100.4(2) . . ?
C8R C6R C3R 115.3(3) . . ?
C7R C6R C3R 113.9(3) . . ?
O10R N9R C11R 125.5(2) . . ?
O10R N9R C6R 123.0(2) . . ?
C11R N9R C6R 111.3(2) . . ?
N2R C11R N9R 109.4(2) . . ?
N2R C11R C12R 125.9(2) . . ?
N9R C11R C12R 124.3(2) . . ?
C13R C12R C17R 120.3(2) . . ?
C13R C12R C11R 116.7(2) . . ?
C17R C12R C11R 122.7(2) . . ?
N14R C13R C12R 122.9(2) . . ?
C13R N14R C15R 117.0(2) . . ?
C13R N14R Cu 121.33(15) . 2_666 ?
C15R N14R Cu 121.63(16) . 2_666 ?
N14R C15R C16R 123.1(2) . . ?
C15R C16R C17R 120.7(2) . . ?
C16R C17R C12R 116.0(2) . . ?
C16R C17R C18R 121.2(2) . . ?
C12R C17R C18R 122.8(2) . . ?
C19R C18R C23R 119.2(2) . . ?
C19R C18R C17R 120.9(2) . . ?
C23R C18R C17R 119.9(2) . . ?
C18R C19R C20R 120.1(3) . . ?
C21R C20R C19R 120.6(3) . . ?
C20R C21R C22R 120.1(3) . . ?
C21R C22R C23R 119.9(3) . . ?
C22R C23R C18R 120.1(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 1.961(2) . ?
Cu N14R 2.008(2) 2_666 ?
Cu O4 2.088(2) . ?
Cu O2 2.109(2) . ?
Cu O1R 2.1895(17) . ?
Cu O1 2.227(4) . ?
O2 C4 1.254(4) . ?
C1 F3A 1.107(17) . ?
C1 F2 1.231(13) . ?
C1 F1 1.328(13) . ?
C1 F1A 1.336(14) . ?
C1 F2A 1.375(15) . ?
C1 F3 1.478(13) . ?
C1 C2 1.515(7) . ?
C2 O1 1.225(4) . ?
C2 C3 1.399(4) . ?
C3 C4 1.382(5) . ?
C4 C5 1.515(5) . ?
C5 F4 1.216(11) . ?
C5 F5A 1.273(8) . ?
C5 F6 1.297(13) . ?
C5 F5 1.308(13) . ?
C5 F4A 1.320(9) . ?
C5 F6A 1.331(9) . ?
O3 C9 1.269(4) . ?
C6 F8A 1.218(14) . ?
C6 F7 1.255(12) . ?
C6 F7A 1.287(11) . ?
C6 F9 1.309(10) . ?
C6 F9A 1.342(11) . ?
C6 F8 1.351(12) . ?
C6 C7 1.521(5) . ?
C7 O4 1.233(4) . ?
C7 C8 1.406(5) . ?
C8 C9 1.377(5) . ?
C9 C10 1.506(5) . ?
C10 F12A 1.205(16) . ?
C10 F10A 1.27(2) . ?
C10 F11A 1.302(16) . ?
C10 F12 1.315(15) . ?
C10 F10 1.332(14) . ?
C10 F11 1.412(17) . ?
O1R N2R 1.290(3) . ?
N2R C11R 1.336(3) . ?
N2R C3R 1.508(3) . ?
C3R C5R 1.516(4) . ?
C3R C4R 1.516(4) . ?
C3R C6R 1.554(4) . ?
C6R N9R 1.507(3) . ?
C6R C8R 1.521(4) . ?
C6R C7R 1.527(5) . ?
N9R O10R 1.268(3) . ?
N9R C11R 1.349(3) . ?
C11R C12R 1.468(3) . ?
C12R C13R 1.383(3) . ?
C12R C17R 1.397(3) . ?
C13R N14R 1.338(3) . ?
N14R C15R 1.351(3) . ?
C15R C16R 1.368(4) . ?
C16R C17R 1.392(3) . ?
C17R C18R 1.479(3) . ?
C18R C19R 1.383(4) . ?
C18R C23R 1.393(3) . ?
C19R C20R 1.390(5) . ?
C20R C21R 1.370(6) . ?
C21R C22R 1.375(5) . ?
C22R C23R 1.393(4) . ?
