#------------------------------------------------------------------------------
#$Date: 2025-07-06 19:39:12 +0200 (Sun 06 de Jul de 2025) $
#$Revision: 301072 $
#$URL: svn://www.crystallography.net/cod/cif/7/06/37/7063761.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_7063761
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                93.9306(13)
_cell_angle_beta                 108.4411(12)
_cell_angle_gamma                115.3408(12)
_cell_formula_units_Z            1
_cell_length_a                   10.1299(3)
_cell_length_b                   11.8398(3)
_cell_length_c                   15.6339(4)
_cell_measurement_reflns_used    9925
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      67.39
_cell_measurement_theta_min      3.07
_cell_volume                     1561.48(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      150(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0290
_diffrn_reflns_av_unetI/netI     0.0232
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_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            24725
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        67.543
_diffrn_reflns_theta_max         67.543
_diffrn_reflns_theta_min         3.068
_exptl_absorpt_coefficient_mu    2.090
_exptl_absorpt_correction_T_max  0.7530
_exptl_absorpt_correction_T_min  0.6309
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2012/1
_exptl_crystal_colour            red_brown
_exptl_crystal_density_diffrn    1.676
_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         0.832
_refine_diff_density_min         -0.544
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     510
_refine_ls_number_reflns         5572
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0498
_refine_ls_R_factor_gt           0.0465
_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)+(0.0609P)²+2.2278P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1227
_refine_ls_wR_factor_ref         0.1256
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5104
_reflns_number_total             5572
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5nj00967g2.cif
_cod_data_source_block           150z
_cod_depositor_comments
'Adding full bibliography for 7063753--7063771.cif.'
_cod_original_cell_volume        1561.48(7)
_cod_database_code               7063761
_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 0.71703(4) 0.59731(3) 0.70357(2) 0.02456(13) Uani 1 1 d . . . . .
O1 O 0.4599(2) 0.55478(19) 0.64991(13) 0.0337(4) Uani 1 1 d . . . . .
C1 C 0.2373(4) 0.5695(3) 0.6487(3) 0.0474(8) Uani 1 1 d . . . . .
F1 F 0.1873(7) 0.6437(8) 0.6764(4) 0.075(3) Uani 0.71(2) 1 d . . P A 1
F2 F 0.1587(5) 0.4534(6) 0.6637(5) 0.070(2) Uani 0.71(2) 1 d . U P A 1
F3 F 0.1899(14) 0.5535(12) 0.5569(6) 0.070(3) Uani 0.5 1 d . . P A 1
F1A F 0.229(3) 0.677(2) 0.656(2) 0.151(10) Uani 0.29(2) 1 d . . P A 2
F2A F 0.1624(16) 0.515(3) 0.704(2) 0.118(9) Uani 0.29(2) 1 d . U P A 2
F3A F 0.1715(15) 0.5231(14) 0.5616(8) 0.114(5) Uani 0.5 1 d . . P A 2
C2 C 0.4143(3) 0.6160(3) 0.6906(2) 0.0347(6) Uani 1 1 d . . . . .
C3 C 0.5025(4) 0.7215(3) 0.7677(2) 0.0383(7) Uani 1 1 d . . . . .
H3 H 0.447742 0.751057 0.794732 0.046 Uiso 1 1 calc R U . . .
C4 C 0.6661(3) 0.7840(3) 0.8060(2) 0.0367(6) Uani 1 1 d . . . . .
C5 C 0.7495(4) 0.8946(3) 0.8914(2) 0.0431(7) Uani 1 1 d . . . . .
F4 F 0.8406(2) 1.00510(18) 0.87594(15) 0.0561(5) Uani 1 1 d . . . . .
F5 F 0.822(2) 0.8806(18) 0.9705(12) 0.082(4) Uani 0.5 1 d . . P B 1
F6 F 0.6481(3) 0.9166(2) 0.91948(19) 0.0807(8) Uani 1 1 d . . . . .
F5A F 0.8479(18) 0.8689(14) 0.9586(10) 0.051(3) Uani 0.5 1 d . . P B 2
O2 O 0.7594(2) 0.7637(2) 0.77783(15) 0.0384(5) Uani 1 1 d . . . . .
O1R O 0.6802(2) 0.43608(16) 0.62500(12) 0.0245(4) Uani 1 1 d . . . . .
N2R N 0.6185(2) 0.32037(19) 0.63703(14) 0.0219(4) Uani 1 1 d . . . . .
O3 O 0.6879(2) 0.5176(2) 0.80610(13) 0.0360(5) Uani 1 1 d . . . . .
C3R C 0.7173(3) 0.2552(2) 0.67154(17) 0.0261(5) Uani 1 1 d . . . . .
O4 O 0.9763(2) 0.6666(2) 0.77962(13) 0.0352(4) Uani 1 1 d . . . . .
C4R C 0.8579(3) 0.3386(3) 0.7613(2) 0.0389(7) Uani 1 1 d . . . . .
H4RA H 0.917576 0.292582 0.783983 0.058 Uiso 1 1 calc R U . . .
H4RB H 0.820104 0.357815 0.808053 0.058 Uiso 1 1 calc R U . . .
H4RC H 0.926619 0.419118 0.749832 0.058 Uiso 1 1 calc R U . . .
C5R C 0.7750(3) 0.2380(3) 0.5949(2) 0.0330(6) Uani 1 1 d . . . . .
H5RA H 0.839688 0.194709 0.612692 0.049 Uiso 1 1 calc R U . . .
H5RB H 0.838540 0.322396 0.585828 0.049 Uiso 1 1 calc R U . . .
H5RC H 0.683812 0.185695 0.537011 0.049 Uiso 1 1 calc R U . . .
C6 C 0.7135(5) 0.5253(3) 0.9599(2) 0.0501(9) Uani 1 1 d . . . . .
F7 F 0.8132(3) 0.5699(3) 1.04823(15) 0.0870(9) Uani 1 1 d . . . . .
F8 F 0.622(3) 0.581(3) 0.9656(16) 0.080(5) Uani 0.5 1 d . . P C 1
F9 F 0.6336(3) 0.3987(2) 0.94497(16) 0.0773(8) Uani 1 1 d . . . . .
F8A F 0.595(3) 0.549(3) 0.9426(16) 0.072(5) Uani 0.5 1 d . . P C 2
C6R C 0.5913(3) 0.1272(3) 0.68087(18) 0.0287(6) Uani 1 1 d . . . . .
C7 C 0.7899(4) 0.5667(3) 0.8912(2) 0.0374(6) Uani 1 1 d . . . . .
C7R C 0.5792(4) 0.1339(3) 0.7757(2) 0.0418(7) Uani 1 1 d . . . . .
H7RA H 0.673642 0.137826 0.821962 0.063 Uiso 1 1 calc R U . . .
H7RB H 0.485049 0.057304 0.772741 0.063 Uiso 1 1 calc R U . . .
H7RC H 0.571091 0.211058 0.793385 0.063 Uiso 1 1 calc R U . . .
C8 C 0.9507(4) 0.6464(3) 0.9243(2) 0.0389(7) Uani 1 1 d . . . . .
H8 H 1.009155 0.671795 0.989466 0.047 Uiso 1 1 calc R U . . .
C8R C 0.6031(4) 0.0083(3) 0.6507(2) 0.0361(6) Uani 1 1 d . . . . .
H8RA H 0.703867 0.015857 0.691748 0.054 Uiso 1 1 calc R U . . .
H8RB H 0.597559 0.000423 0.586717 0.054 Uiso 1 1 calc R U . . .
H8RC H 0.515535 -0.068219 0.654270 0.054 Uiso 1 1 calc R U . . .
C9 C 1.0321(3) 0.6917(3) 0.86523(19) 0.0350(6) Uani 1 1 d . . . . .
N9R N 0.4415(2) 0.1199(2) 0.61402(14) 0.0248(4) Uani 1 1 d . . . . .
C10 C 1.2112(4) 0.7772(4) 0.9097(2) 0.0507(8) Uani 1 1 d . . . . .
F10 F 1.2689(3) 0.8135(3) 1.00066(15) 0.0757(7) Uani 1 1 d . . . . .
F11 F 1.2823(3) 0.7123(3) 0.89081(18) 0.0863(9) Uani 1 1 d . . . . .
F12 F 1.2668(19) 0.8687(19) 0.8697(15) 0.097(5) Uani 0.5 1 d . . P D 1
F12A F 1.2429(19) 0.8859(16) 0.8844(14) 0.130(7) Uani 0.5 1 d . . P D 2
O10R O 0.3106(2) 0.01693(17) 0.58128(14) 0.0321(4) Uani 1 1 d . . . . .
C11R C 0.4634(3) 0.2366(2) 0.59986(16) 0.0218(5) Uani 1 1 d . . . . .
C12R C 0.3379(3) 0.2609(2) 0.54114(16) 0.0217(5) Uani 1 1 d . . . . .
C13R C 0.3589(3) 0.3117(2) 0.46636(16) 0.0216(5) Uani 1 1 d . . . . .
H13R H 0.457351 0.337539 0.460149 0.026 Uiso 1 1 calc R U . . .
N14R N 0.2463(2) 0.32583(19) 0.40242(14) 0.0220(4) Uani 1 1 d . . . . .
C15R C 0.1071(3) 0.2878(2) 0.41243(18) 0.0262(5) Uani 1 1 d . . . . .
H15R H 0.024972 0.295242 0.366898 0.031 Uiso 1 1 calc R U . . .
C16R C 0.0793(3) 0.2389(2) 0.48575(18) 0.0257(5) Uani 1 1 d . . . . .
H16R H -0.020695 0.213282 0.489796 0.031 Uiso 1 1 calc R U . . .
C17R C 0.1962(3) 0.2264(2) 0.55431(17) 0.0220(5) Uani 1 1 d . . . . .
C18R C 0.1707(3) 0.1812(2) 0.63659(18) 0.0248(5) Uani 1 1 d . . . . .
C19R C 0.0303(3) 0.0737(2) 0.62624(19) 0.0280(5) Uani 1 1 d . . . . .
H19R H -0.050182 0.029858 0.566173 0.034 Uiso 1 1 calc R U . . .
C20R C 0.0078(4) 0.0305(3) 0.7032(2) 0.0370(7) Uani 1 1 d . . . . .
H20R H -0.086536 -0.044370 0.695684 0.044 Uiso 1 1 calc R U . . .
C21R C 0.1230(4) 0.0966(4) 0.7913(2) 0.0456(8) Uani 1 1 d . . . . .
H21R H 0.107613 0.066684 0.843951 0.055 Uiso 1 1 calc R U . . .
C22R C 0.2597(4) 0.2055(4) 0.8026(2) 0.0487(8) Uani 1 1 d . . . . .
H22R H 0.336664 0.251959 0.863190 0.058 Uiso 1 1 calc R U . . .
C23R C 0.2858(3) 0.2477(3) 0.72570(19) 0.0351(6) Uani 1 1 d . . . . .
H23R H 0.381473 0.321561 0.733703 0.042 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 176.86(8) . 2_666 ?
O3 Cu O2 89.32(9) . . ?
N14R Cu O2 93.01(8) 2_666 . ?
O3 Cu O1R 93.56(8) . . ?
N14R Cu O1R 84.08(8) 2_666 . ?
O2 Cu O1R 176.96(8) . . ?
O3 Cu O4 86.26(8) . . ?
N14R Cu O4 91.85(8) 2_666 . ?
O2 Cu O4 84.83(8) . . ?
O1R Cu O4 94.37(7) . . ?
O3 Cu O1 89.64(8) . . ?
N14R Cu O1 92.67(8) 2_666 . ?
O2 Cu O1 84.64(8) . . ?
O1R Cu O1 96.35(7) . . ?
O4 Cu O1 168.74(7) . . ?
C2 O1 Cu 121.42(19) . . ?
F3A C1 F1A 101.9(15) . . ?
F1 C1 F3 106.1(7) . . ?
F3A C1 F2A 119.8(16) . . ?
F1A C1 F2A 99.7(12) . . ?
F1 C1 F2 107.7(4) . . ?
F3 C1 F2 106.1(6) . . ?
F3A C1 C2 115.2(6) . . ?
F1 C1 C2 116.9(4) . . ?
F1A C1 C2 102.7(11) . . ?
F3 C1 C2 109.3(6) . . ?
F2A C1 C2 113.5(7) . . ?
F2 C1 C2 110.1(4) . . ?
O1 C2 C3 129.5(3) . . ?
O1 C2 C1 114.4(3) . . ?
C3 C2 C1 116.1(3) . . ?
C4 C3 C2 122.5(3) . . ?
O2 C4 C3 128.3(3) . . ?
O2 C4 C5 113.6(3) . . ?
C3 C4 C5 118.1(3) . . ?
F5 C5 F4 110.6(10) . . ?
F5 C5 F6 94.2(7) . . ?
F4 C5 F6 105.6(3) . . ?
F4 C5 F5A 106.1(8) . . ?
F6 C5 F5A 112.3(7) . . ?
F5 C5 C4 119.6(7) . . ?
F4 C5 C4 112.0(3) . . ?
F6 C5 C4 112.8(3) . . ?
F5A C5 C4 107.8(5) . . ?
C4 O2 Cu 127.3(2) . . ?
N2R O1R Cu 127.09(14) . . ?
O1R N2R C11R 124.4(2) . . ?
O1R N2R C3R 121.61(19) . . ?
C11R N2R C3R 112.0(2) . . ?
C7 O3 Cu 123.25(19) . . ?
N2R C3R C4R 110.9(2) . . ?
N2R C3R C5R 105.1(2) . . ?
C4R C3R C5R 109.9(2) . . ?
N2R C3R C6R 100.66(19) . . ?
C4R C3R C6R 115.1(2) . . ?
C5R C3R C6R 114.2(2) . . ?
C9 O4 Cu 119.51(19) . . ?
F8A C6 F9 98.2(12) . . ?
F8A C6 F7 113.5(9) . . ?
F9 C6 F7 107.2(3) . . ?
F9 C6 F8 111.0(13) . . ?
F7 C6 F8 97.2(10) . . ?
F8A C6 C7 109.5(12) . . ?
F9 C6 C7 112.6(3) . . ?
F7 C6 C7 114.6(3) . . ?
F8 C6 C7 113.0(13) . . ?
N9R C6R C8R 109.6(2) . . ?
N9R C6R C7R 106.1(2) . . ?
C8R C6R C7R 111.1(2) . . ?
N9R C6R C3R 100.36(19) . . ?
C8R C6R C3R 114.7(2) . . ?
C7R C6R C3R 114.1(2) . . ?
O3 C7 C8 129.5(3) . . ?
O3 C7 C6 111.9(3) . . ?
C8 C7 C6 118.6(3) . . ?
C7 C8 C9 122.5(3) . . ?
O4 C9 C8 127.5(3) . . ?
O4 C9 C10 114.5(3) . . ?
C8 C9 C10 117.9(3) . . ?
O10R N9R C11R 125.5(2) . . ?
O10R N9R C6R 122.9(2) . . ?
C11R N9R C6R 111.5(2) . . ?
F12 C10 F10 114.1(10) . . ?
F10 C10 F12A 103.1(10) . . ?
F12 C10 F11 96.9(9) . . ?
F10 C10 F11 105.1(3) . . ?
F12A C10 F11 117.5(10) . . ?
F12 C10 C9 114.6(9) . . ?
F10 C10 C9 114.6(3) . . ?
F12A C10 C9 107.3(8) . . ?
F11 C10 C9 109.4(3) . . ?
N2R C11R N9R 109.2(2) . . ?
N2R C11R C12R 126.0(2) . . ?
N9R C11R C12R 124.2(2) . . ?
C13R C12R C17R 120.0(2) . . ?
C13R C12R C11R 117.2(2) . . ?
C17R C12R C11R 122.6(2) . . ?
N14R C13R C12R 122.8(2) . . ?
C13R N14R C15R 117.5(2) . . ?
C13R N14R Cu 121.54(16) . 2_666 ?
C15R N14R Cu 120.92(17) . 2_666 ?
N14R C15R C16R 122.7(2) . . ?
C15R C16R C17R 120.7(2) . . ?
C16R C17R C12R 116.1(2) . . ?
C16R C17R C18R 121.1(2) . . ?
C12R C17R C18R 122.8(2) . . ?
C19R C18R C23R 119.3(2) . . ?
C19R C18R C17R 120.4(2) . . ?
C23R C18R C17R 120.3(2) . . ?
C20R C19R C18R 120.3(3) . . ?
C19R C20R C21R 120.0(3) . . ?
C22R C21R C20R 120.2(3) . . ?
C21R C22R C23R 120.3(3) . . ?
C22R C23R C18R 119.8(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 1.9534(19) . ?
Cu N14R 2.005(2) 2_666 ?
Cu O2 2.015(2) . ?
Cu O1R 2.0176(17) . ?
Cu O4 2.243(2) . ?
Cu O1 2.2756(19) . ?
O1 C2 1.246(3) . ?
C1 F3A 1.269(11) . ?
C1 F1 1.296(6) . ?
C1 F1A 1.31(2) . ?
C1 F3 1.333(9) . ?
C1 F2A 1.341(17) . ?
C1 F2 1.343(6) . ?
C1 C2 1.520(4) . ?
C2 C3 1.403(4) . ?
C3 C4 1.384(4) . ?
C4 O2 1.260(4) . ?
C4 C5 1.520(4) . ?
C5 F5 1.287(19) . ?
C5 F4 1.331(4) . ?
C5 F6 1.348(4) . ?
C5 F5A 1.354(16) . ?
O1R N2R 1.296(3) . ?
N2R C11R 1.342(3) . ?
N2R C3R 1.505(3) . ?
O3 C7 1.298(4) . ?
C3R C4R 1.522(4) . ?
C3R C5R 1.527(4) . ?
C3R C6R 1.562(4) . ?
O4 C9 1.234(3) . ?
C6 F8A 1.31(3) . ?
C6 F9 1.323(4) . ?
C6 F7 1.330(4) . ?
C6 F8 1.37(3) . ?
C6 C7 1.505(4) . ?
C6R N9R 1.508(3) . ?
C6R C8R 1.519(4) . ?
C6R C7R 1.526(4) . ?
C7 C8 1.377(4) . ?
C8 C9 1.411(4) . ?
C9 C10 1.528(4) . ?
N9R O10R 1.268(3) . ?
N9R C11R 1.348(3) . ?
C10 F12 1.294(16) . ?
C10 F10 1.312(4) . ?
C10 F12A 1.309(16) . ?
C10 F11 1.332(5) . ?
C11R C12R 1.468(3) . ?
C12R C13R 1.385(3) . ?
C12R C17R 1.402(3) . ?
C13R N14R 1.339(3) . ?
N14R C15R 1.350(3) . ?
C15R C16R 1.372(4) . ?
C16R C17R 1.394(4) . ?
C17R C18R 1.481(3) . ?
C18R C19R 1.395(4) . ?
C18R C23R 1.398(4) . ?
C19R C20R 1.385(4) . ?
C20R C21R 1.387(5) . ?
C21R C22R 1.377(5) . ?
C22R C23R 1.391(4) . ?
