#------------------------------------------------------------------------------
#$Date: 2025-07-06 19:39:12 +0200 (Sun 06 de Jul de 2025) $
#$Revision: 301072 $
#$URL: svn://www.crystallography.net/cod/cif/7/06/37/7063766.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_7063766
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_block_doi                 10.5517/ccdc.csd.cc2bjccm
_audit_creation_method           SHELXL-2016/4
_audit_update_record
;
2022-03-22 deposited with the CCDC.	2025-04-09 downloaded from the CCDC.
;
_cell_angle_alpha                94.128(4)
_cell_angle_beta                 108.514(4)
_cell_angle_gamma                114.163(4)
_cell_formula_units_Z            1
_cell_length_a                   10.1211(5)
_cell_length_b                   11.8936(7)
_cell_length_c                   15.7645(8)
_cell_measurement_reflns_used    1920
_cell_measurement_temperature    240(2)
_cell_measurement_theta_max      58.48
_cell_measurement_theta_min      4.19
_cell_volume                     1596.44(17)
_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-2016/4 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      240(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.979
_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  0.0486
_diffrn_reflns_av_unetI/netI     0.0678
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       12
_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            15237
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         67.873
_diffrn_reflns_theta_min         3.040
_exptl_absorpt_coefficient_mu    2.045
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.639
_exptl_crystal_description       plate
_exptl_crystal_F_000             792
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.476
_refine_diff_density_min         -0.537
_refine_diff_density_rms         0.068
_refine_ls_extinction_coef       0.0010(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/4 (Sheldrick 2016)'
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     519
_refine_ls_number_reflns         5684
_refine_ls_number_restraints     72
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.1032
_refine_ls_R_factor_gt           0.0618
_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)+(0.0959P)²+0.3031P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1556
_refine_ls_wR_factor_ref         0.1812
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3660
_reflns_number_total             5684
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5nj00967g2.cif
_cod_data_source_block           28-2
_cod_depositor_comments
'Adding full bibliography for 7063753--7063771.cif.'
_cod_original_cell_volume        1596.45(16)
_cod_database_code               7063766
_shelx_shelxl_version_number     2016/4
_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 0.40778(8) 0.39410(7) 0.29448(4) 0.0466(2) Uani 1 1 d . . . . .
O1H O 0.2027(5) 0.2200(5) 0.2154(3) 0.0894(15) Uani 1 1 d . . . . .
C1H C -0.0497(11) 0.1009(7) 0.1064(5) 0.089(2) Uani 1 1 d . . . . .
F1H F -0.1985(7) 0.0792(5) 0.0879(4) 0.147(2) Uani 1 1 d . . . . .
F2H F -0.0244(8) 0.1248(5) 0.0329(3) 0.148(2) Uani 1 1 d . . . . .
F3H F -0.0549(7) -0.0103(4) 0.1154(4) 0.1265(18) Uani 1 1 d . . . . .
C2H C 0.0652(8) 0.2044(6) 0.1904(4) 0.0685(16) Uani 1 1 d . . . . .
O2H O 0.2547(4) 0.4343(4) 0.3465(2) 0.0626(10) Uani 1 1 d . . . . .
O3H O 0.5169(5) 0.3269(3) 0.2228(2) 0.0605(9) Uani 1 1 d . . . . .
C4H C 0.1073(6) 0.3772(5) 0.3076(4) 0.0561(12) Uani 1 1 d . . . . .
O4H O 0.3500(5) 0.4711(4) 0.1924(2) 0.0665(10) Uani 1 1 d . . . . .
C5H C 0.0288(7) 0.4315(7) 0.3538(5) 0.0741(16) Uani 1 1 d . . . . .
C6H C 0.5251(9) 0.2216(7) 0.0950(4) 0.0790(18) Uani 1 1 d . . . . .
C7H C 0.4699(6) 0.3029(5) 0.1377(3) 0.0541(12) Uani 1 1 d . . . . .
C8H C 0.3775(6) 0.3476(5) 0.0780(3) 0.0609(13) Uani 1 1 d . . . . .
H8H H 0.350065 0.323153 0.014392 0.073 Uiso 1 1 calc R U . . .
C10H C 0.2268(9) 0.4707(7) 0.0396(4) 0.0807(19) Uani 1 1 d D . . . .
O1R O 0.6167(3) 0.5638(3) 0.3727(2) 0.0450(7) Uani 1 1 d . . . . .
N2R N 0.6607(4) 0.6791(3) 0.3631(2) 0.0386(8) Uani 1 1 d . . . . .
C3R C 0.7882(5) 0.7410(4) 0.3276(3) 0.0464(10) Uani 1 1 d . . . . .
C4R C 0.7565(7) 0.6582(5) 0.2392(4) 0.0663(15) Uani 1 1 d . . . . .
H4RA H 0.655479 0.640928 0.193943 0.099 Uiso 1 1 calc R U . . .
H4RB H 0.756094 0.578977 0.250601 0.099 Uiso 1 1 calc R U . . .
H4RC H 0.837701 0.701323 0.216158 0.099 Uiso 1 1 calc R U . . .
C5R C 0.9368(5) 0.7564(5) 0.4019(4) 0.0600(13) Uani 1 1 d . . . . .
H5RA H 0.922732 0.674516 0.414612 0.090 Uiso 1 1 calc R U . . .
H5RB H 0.959953 0.813833 0.457390 0.090 Uiso 1 1 calc R U . . .
H5RC H 1.022940 0.790553 0.381189 0.090 Uiso 1 1 calc R U . . .
C6R C 0.7791(6) 0.8677(5) 0.3184(3) 0.0496(11) Uani 1 1 d . . . . .
C7R C 0.9366(6) 0.9848(5) 0.3471(4) 0.0629(14) Uani 1 1 d . . . . .
H7RA H 0.989814 0.975666 0.307638 0.094 Uiso 1 1 calc R U . . .
H7RB H 1.000219 0.994128 0.410479 0.094 Uiso 1 1 calc R U . . .
H7RC H 0.920087 1.059164 0.341646 0.094 Uiso 1 1 calc R U . . .
C8R C 0.6664(7) 0.8618(6) 0.2256(4) 0.0737(17) Uani 1 1 d . . . . .
H8RA H 0.710712 0.859690 0.179638 0.111 Uiso 1 1 calc R U . . .
H8RB H 0.648972 0.936065 0.229561 0.111 Uiso 1 1 calc R U . . .
H8RC H 0.567598 0.786078 0.208493 0.111 Uiso 1 1 calc R U . . .
N9R N 0.7051(4) 0.8769(3) 0.3863(2) 0.0434(8) Uani 1 1 d . . . . .
O10R O 0.7104(4) 0.9799(3) 0.4195(2) 0.0566(9) Uani 1 1 d . . . . .
C11R C 0.6268(5) 0.7615(4) 0.4008(3) 0.0379(9) Uani 1 1 d . . . . .
C12R C 0.5366(5) 0.7400(4) 0.4601(3) 0.0355(8) Uani 1 1 d . . . . .
C13R C 0.5829(5) 0.6910(4) 0.5347(3) 0.0398(9) Uani 1 1 d . . . . .
H13R H 0.661709 0.666160 0.540492 0.048 Uiso 1 1 calc R U . . .
N14R N 0.5212(4) 0.6773(3) 0.5988(2) 0.0374(7) Uani 1 1 d . . . . .
C15R C 0.4099(5) 0.7155(4) 0.5893(3) 0.0424(10) Uani 1 1 d . . . . .
H15R H 0.367064 0.709243 0.634709 0.051 Uiso 1 1 calc R U . . .
C16R C 0.3559(5) 0.7631(4) 0.5160(3) 0.0409(9) Uani 1 1 d . . . . .
H16R H 0.277986 0.788392 0.512600 0.049 Uiso 1 1 calc R U . . .
C17R C 0.4157(5) 0.7742(4) 0.4472(3) 0.0372(9) Uani 1 1 d . . . . .
C18R C 0.3528(5) 0.8187(4) 0.3659(3) 0.0406(9) Uani 1 1 d . . . . .
C19R C 0.3311(5) 0.9260(4) 0.3765(3) 0.0461(10) Uani 1 1 d . . . . .
H19R H 0.355172 0.970203 0.435638 0.055 Uiso 1 1 calc R U . . .
C20R C 0.2735(6) 0.9681(5) 0.2997(4) 0.0571(12) Uani 1 1 d . . . . .
H20R H 0.260999 1.041749 0.307054 0.068 Uiso 1 1 calc R U . . .
C21R C 0.2349(7) 0.9022(6) 0.2128(4) 0.0717(16) Uani 1 1 d . . . . .
H21R H 0.196555 0.931330 0.161129 0.086 Uiso 1 1 calc R U . . .
C22R C 0.2521(8) 0.7940(7) 0.2015(4) 0.0757(18) Uani 1 1 d . . . . .
H22R H 0.222954 0.747887 0.142034 0.091 Uiso 1 1 calc R U . . .
C23R C 0.3128(6) 0.7526(5) 0.2779(3) 0.0572(12) Uani 1 1 d . . . . .
H23R H 0.326682 0.679657 0.270096 0.069 Uiso 1 1 calc R U . . .
C24R C 0.3249(7) 0.4266(5) 0.1096(3) 0.0581(12) Uani 1 1 d . . . . .
C25R C 0.0113(6) 0.2737(5) 0.2334(4) 0.0615(13) Uani 1 1 d . . . . .
H25R H -0.096861 0.248439 0.210423 0.074 Uiso 1 1 calc R U . . .
F6H F 0.0672(13) 0.5471(10) 0.3449(11) 0.091(4) Uani 0.5 1 d . U P A 1
F5H F 0.085(2) 0.442(2) 0.4449(11) 0.126(7) Uani 0.5 1 d . U P A 1
F4H F -0.1201(13) 0.3755(15) 0.3233(13) 0.097(6) Uani 0.5 1 d . U P A 1
F10H F 0.228(3) 0.441(2) -0.0419(7) 0.121(7) Uani 0.5 1 d D U P B 1
F9H F 0.4556(16) 0.1073(12) 0.1091(11) 0.144(4) Uani 0.5 1 d . . P C 1
F8H F 0.6710(18) 0.279(2) 0.1200(8) 0.160(5) Uani 0.5 1 d . U P C 1
F7H F 0.4864(14) 0.1920(11) 0.0103(9) 0.090(2) Uani 0.5 1 d . . P C 1
F11H F 0.281(3) 0.5940(11) 0.0607(12) 0.103(5) Uani 0.5 1 d D U P B 1
F12H F 0.0795(18) 0.4137(17) 0.0346(19) 0.122(7) Uani 0.5 1 d D U P B 1
F4B F -0.100(2) 0.3352(19) 0.351(2) 0.165(10) Uani 0.5 1 d . U P A 2
F5B F 0.100(2) 0.484(2) 0.4345(12) 0.164(11) Uani 0.5 1 d . U P A 2
F6B F -0.021(3) 0.503(3) 0.309(2) 0.220(10) Uani 0.5 1 d . U P A 2
F10B F 0.108(2) 0.4702(17) 0.058(2) 0.130(7) Uani 0.5 1 d D U P B 2
F9B F 0.679(2) 0.2969(15) 0.1057(13) 0.144(4) Uani 0.5 1 d . U P C 2
F8B F 0.4423(14) 0.1836(19) 0.0068(9) 0.160(5) Uani 0.5 1 d . . P C 2
F7B F 0.5605(11) 0.1464(9) 0.1469(7) 0.090(2) Uani 0.5 1 d . . P C 2
F11B F 0.301(4) 0.5901(15) 0.0457(17) 0.174(10) Uani 0.5 1 d D U P B 2
F12B F 0.167(3) 0.413(3) -0.0453(11) 0.152(10) Uani 0.5 1 d D U P B 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 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
O4H CU N14R 176.90(17) . 2_666 ?
O4H CU O3H 87.61(14) . . ?
N14R CU O3H 91.51(13) 2_666 . ?
O4H CU O1R 93.03(16) . . ?
N14R CU O1R 84.07(13) 2_666 . ?
O3H CU O1R 94.21(13) . . ?
O4H CU O1H 87.87(17) . . ?
N14R CU O1H 94.99(15) 2_666 . ?
O3H CU O1H 83.96(14) . . ?
O1R CU O1H 177.93(13) . . ?
O4H CU O2H 88.91(14) . . ?
N14R CU O2H 92.51(13) 2_666 . ?
O3H CU O2H 168.71(14) . . ?
O1R CU O2H 96.70(13) . . ?
O1H CU O2H 85.18(14) . . ?
C2H O1H CU 125.1(4) . . ?
F2H C1H F3H 108.9(6) . . ?
F2H C1H F1H 105.6(8) . . ?
F3H C1H F1H 103.1(7) . . ?
F2H C1H C2H 113.1(7) . . ?
F3H C1H C2H 112.7(7) . . ?
F1H C1H C2H 112.8(6) . . ?
O1H C2H C25R 126.2(6) . . ?
O1H C2H C1H 115.2(6) . . ?
C25R C2H C1H 118.6(6) . . ?
C4H O2H CU 123.3(4) . . ?
C7H O3H CU 121.9(3) . . ?
O2H C4H C25R 130.0(5) . . ?
O2H C4H C5H 112.4(5) . . ?
C25R C4H C5H 117.5(5) . . ?
C24R O4H CU 123.8(3) . . ?
F4Ha C5H F6H 105.7(11) . . ?
F5Bb C5H F6B 109.5(18) . . ?
F5Bb C5H F4B 104.2(16) . . ?
F6Bb C5H F4B 104.5(14) . . ?
F4Ha C5H F5H 108.7(14) . . ?
F6Ha C5H F5H 104.9(12) . . ?
F5Bb C5H C4H 116.9(12) . . ?
F4Ha C5H C4H 117.3(9) . . ?
F6Ha C5H C4H 108.7(8) . . ?
F6Bb C5H C4H 113.3(12) . . ?
F4Bb C5H C4H 107.1(10) . . ?
F5Ha C5H C4H 110.7(10) . . ?
F7Ha C6H F8H 100.0(9) . . ?
F7Ha C6H F9H 99.0(11) . . ?
F8Ha C6H F9H 120.6(13) . . ?
F8Bb C6H F7B 123.5(11) . . ?
F8Bb C6H F9B 106.7(11) . . ?
F7Bb C6H F9B 94.0(9) . . ?
F7Ha C6H C7H 121.7(7) . . ?
F8Ha C6H C7H 109.8(9) . . ?
F8Bb C6H C7H 108.5(8) . . ?
F9Ha C6H C7H 106.4(7) . . ?
F7Bb C6H C7H 113.6(6) . . ?
F9Bb C6H C7H 108.4(9) . . ?
O3H C7H C8H 126.7(5) . . ?
O3H C7H C6H 116.0(5) . . ?
C8H C7H C6H 117.3(5) . . ?
C24R C8H C7H 122.4(5) . . ?
F12Bb C10H F11B 108.1(19) . . ?
F11Ha C10H F10H 106.8(14) . . ?
F12Bb C10H F10B 104.9(17) . . ?
F11Bb C10H F10B 98.4(17) . . ?
F11Ha C10H F12H 110.0(14) . . ?
F10Ha C10H F12H 108.6(17) . . ?
F12Bb C10H C24R 118.9(13) . . ?
F11Bb C10H C24R 111.4(14) . . ?
F11Ha C10H C24R 111.8(10) . . ?
F10Ha C10H C24R 110.6(9) . . ?
F10Bb C10H C24R 113.0(14) . . ?
F12Ha C10H C24R 109.0(11) . . ?
N2R O1R CU 130.6(3) . . ?
O1R N2R C11R 124.3(3) . . ?
O1R N2R C3R 121.5(3) . . ?
C11R N2R C3R 112.6(3) . . ?
N2R C3R C4R 110.8(4) . . ?
N2R C3R C5R 105.3(4) . . ?
C4R C3R C5R 109.9(4) . . ?
N2R C3R C6R 100.2(3) . . ?
C4R C3R C6R 115.3(4) . . ?
C5R C3R C6R 114.4(4) . . ?
N9R C6R C8R 106.0(4) . . ?
N9R C6R C7R 108.9(4) . . ?
C8R C6R C7R 111.0(4) . . ?
N9R C6R C3R 100.5(3) . . ?
C8R C6R C3R 114.3(4) . . ?
C7R C6R C3R 115.1(4) . . ?
O10R N9R C11R 126.3(3) . . ?
O10R N9R C6R 122.7(3) . . ?
C11R N9R C6R 110.9(3) . . ?
N2R C11R N9R 109.4(3) . . ?
N2R C11R C12R 126.9(4) . . ?
N9R C11R C12R 123.3(4) . . ?
C13R C12R C17R 120.2(3) . . ?
C13R C12R C11R 116.8(4) . . ?
C17R C12R C11R 122.9(4) . . ?
N14R C13R C12R 123.3(4) . . ?
C13R N14R C15R 117.0(3) . . ?
C13R N14R CU 121.7(3) . 2_666 ?
C15R N14R CU 121.3(3) . 2_666 ?
N14R C15R C16R 123.0(4) . . ?
C15R C16R C17R 120.6(4) . . ?
C16R C17R C12R 115.8(4) . . ?
C16R C17R C18R 121.0(4) . . ?
C12R C17R C18R 123.2(4) . . ?
C19R C18R C23R 119.3(4) . . ?
C19R C18R C17R 120.3(4) . . ?
C23R C18R C17R 120.3(4) . . ?
C18R C19R C20R 119.9(5) . . ?
C21R C20R C19R 120.3(5) . . ?
C22R C21R C20R 120.1(5) . . ?
C21R C22R C23R 120.0(5) . . ?
C18R C23R C22R 120.2(5) . . ?
O4H C24R C8H 128.5(5) . . ?
O4H C24R C10H 113.2(5) . . ?
C8H C24R C10H 118.3(5) . . ?
C4H C25R C2H 124.2(5) . . ?
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 O4H 1.955(3) . ?
CU N14R 2.001(3) 2_666 ?
CU O3H 2.126(4) . ?
CU O1R 2.135(3) . ?
CU O1H 2.149(6) . ?
CU O2H 2.157(4) . ?
O1H C2H 1.248(7) . ?
C1H F2H 1.289(8) . ?
C1H F3H 1.322(7) . ?
C1H F1H 1.347(9) . ?
C1H C2H 1.496(10) . ?
C2H C25R 1.399(7) . ?
O2H C4H 1.263(6) . ?
O3H C7H 1.240(6) . ?
C4H C25R 1.385(8) . ?
C4H C5H 1.516(8) . ?
O4H C24R 1.276(6) . ?
C5H F5B 1.211(16) . ?
C5H F4H 1.272(14) . ?
C5H F6H 1.299(14) . ?
C5H F6B 1.30(2) . ?
C5H F4B 1.32(2) . ?
C5H F5H 1.343(17) . ?
C6H F7H 1.245(14) . ?
C6H F8H 1.253(17) . ?
C6H F8B 1.304(15) . ?
C6H F9H 1.323(13) . ?
C6H F7B 1.334(11) . ?
C6H F9B 1.390(19) . ?
C6H C7H 1.511(8) . ?
C7H C8H 1.401(7) . ?
C8H C24R 1.387(7) . ?
C10H F12B 1.279(15) . ?
C10H F11B 1.285(16) . ?
C10H F11H 1.310(13) . ?
C10H F10H 1.311(12) . ?
C10H F10B 1.319(16) . ?
C10H F12H 1.335(15) . ?
C10H C24R 1.514(7) . ?
O1R N2R 1.294(4) . ?
N2R C11R 1.324(5) . ?
N2R C3R 1.504(5) . ?
C3R C4R 1.508(6) . ?
C3R C5R 1.514(7) . ?
C3R C6R 1.561(7) . ?
C6R N9R 1.509(5) . ?
C6R C8R 1.518(7) . ?
C6R C7R 1.523(7) . ?
N9R O10R 1.270(5) . ?
N9R C11R 1.354(5) . ?
C11R C12R 1.468(5) . ?
C12R C13R 1.383(5) . ?
C12R C17R 1.402(6) . ?
C13R N14R 1.334(5) . ?
N14R C15R 1.348(5) . ?
N14R CU 2.001(3) 2_666 ?
C15R C16R 1.379(6) . ?
C16R C17R 1.392(5) . ?
C17R C18R 1.478(5) . ?
C18R C19R 1.388(6) . ?
C18R C23R 1.389(6) . ?
C19R C20R 1.391(6) . ?
C20R C21R 1.377(8) . ?
C21R C22R 1.375(8) . ?
C22R C23R 1.391(7) . ?
