#------------------------------------------------------------------------------
#$Date: 2026-04-05 14:11:42 +0200 (Sun 05 de Apr de 2026) $
#$Revision: 305388 $
#$URL: svn://www.crystallography.net/cod/cif/7/72/03/7720395.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_7720395
loop_
_publ_author_name
'Baumgärtner, Lena'
'Feldmann, Claus'
_publ_section_title
;
 Homoleptic complexes of vanadium and N-heterocycles made via
 oxidation of vanadium nanoparticles.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4856
_journal_page_last               4866
_journal_paper_doi               10.1039/d6dt00230g
_journal_volume                  55
_journal_year                    2026
_chemical_formula_moiety         'C48 H32 N4 Na V'
_chemical_formula_sum            'C48 H32 N4 Na V'
_chemical_formula_weight         738.70
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2025-01-17
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_audit_update_record
;
2026-01-14 deposited with the CCDC.	2026-02-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.252(18)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.852(3)
_cell_length_b                   13.732(2)
_cell_length_c                   18.117(4)
_cell_measurement_reflns_used    1768
_cell_measurement_temperature    150
_cell_measurement_theta_max      24.95
_cell_measurement_theta_min      2.08
_cell_volume                     3410.5(12)
_computing_cell_refinement       'STOE X-Area'
_computing_data_collection       'STOE X-Area'
_computing_data_reduction        'STOE X-Area'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean 6.67
_diffrn_detector_type            'STOE Imaging Plate'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details
;
 128 frames, detector distance = 100 mm
;
_diffrn_measurement_device       '2-circle diffractometer'
_diffrn_measurement_device_type  'STOE IPDS II'
_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0251
_diffrn_reflns_av_unetI/netI     0.0761
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            7516
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.996
_diffrn_reflns_theta_max         24.996
_diffrn_reflns_theta_min         2.099
_exptl_absorpt_coefficient_mu    0.348
_exptl_absorpt_correction_T_max  0.9811
_exptl_absorpt_correction_T_min  0.9759
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
STOE X-Red32, absorption correction by Gaussian integration, analogous to
P. Coppens, "The Evaluation of Absorption and Extinction in Single-Crystal
Structure Analysis", published in: F. R. Ahmed (Editor), "Crystallographic
Computing", Munksgaard, Copenhagen (1970), 255 - 270.
Afterwards a spherical absorption correction was performed within STOE LANA.
;
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.439
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1528
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.189
_refine_diff_density_min         -0.277
_refine_diff_density_rms         0.035
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.731
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     245
_refine_ls_number_reflns         3008
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.731
_refine_ls_R_factor_all          0.0482
_refine_ls_R_factor_gt           0.0267
_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)+(0.0168P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0467
_refine_ls_wR_factor_ref         0.0485
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1894
_reflns_number_total             3008
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d6dt00230g2.cif
_cod_data_source_block           '[nav(cbz)4]'
_cod_depositor_comments
'Adding full bibliography for 7720394--7720397.cif.'
_cod_original_cell_volume        3410.2(12)
_cod_database_code               7720395
_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.
;
_shelx_estimated_absorpt_t_max   0.943
_shelx_estimated_absorpt_t_min   0.918
_olex2_refinement_description
;
1.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C9(H9), C14(H14), C15(H15), C23(H23), C20(H20), C16(H16), C3(H3),
 C17(H17), C22(H22), C10(H10), C5(H5), C12(H12), C11(H11), C4(H4), C21(H21)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
V1 V 0.500000 0.40082(3) 0.250000 0.02384(12) Uani 1 2 d S T P . .
Na1 Na 0.000000 0.26652(8) 0.250000 0.0474(3) Uani 1 2 d S T P . .
N2 N 0.53621(11) 0.48576(10) 0.33690(7) 0.0274(4) Uani 1 1 d . . . . .
N1 N 0.39217(11) 0.31960(11) 0.27736(7) 0.0259(3) Uani 1 1 d . . . . .
C1 C 0.40935(15) 0.24135(13) 0.32791(8) 0.0261(4) Uani 1 1 d . . . . .
C8 C 0.29842(14) 0.35285(13) 0.28481(8) 0.0264(4) Uani 1 1 d . . . . .
C13 C 0.60223(14) 0.46733(13) 0.40225(8) 0.0258(4) Uani 1 1 d . . . . .
C18 C 0.59580(14) 0.54069(13) 0.45578(8) 0.0271(4) Uani 1 1 d . . . . .
C7 C 0.25654(14) 0.29673(14) 0.33731(8) 0.0280(4) Uani 1 1 d . . . . .
C6 C 0.32782(14) 0.22424(14) 0.36423(8) 0.0284(4) Uani 1 1 d . . . . .
C19 C 0.52227(13) 0.60807(14) 0.42323(8) 0.0279(4) Uani 1 1 d . . . . .
C24 C 0.48678(14) 0.57053(13) 0.35197(8) 0.0274(4) Uani 1 1 d . . . . .
C2 C 0.49358(15) 0.18548(14) 0.34461(9) 0.0302(4) Uani 1 1 d . . . . .
H2 H 0.549148 0.197375 0.320701 0.036 Uiso 1 1 calc R U . . .
C9 C 0.24631(14) 0.42986(13) 0.24822(9) 0.0314(4) Uani 1 1 d . . . . .
H9 H 0.272671 0.466213 0.211203 0.038 Uiso 1 1 calc R U . . .
C14 C 0.66739(13) 0.39122(14) 0.41765(8) 0.0314(4) Uani 1 1 d . . . . .
H14 H 0.672371 0.341690 0.381773 0.038 Uiso 1 1 calc R U . . .
C15 C 0.72509(14) 0.38900(15) 0.48652(8) 0.0344(5) Uani 1 1 d . . . . .
H15 H 0.770563 0.337454 0.497793 0.041 Uiso 1 1 calc R U . . .
C23 C 0.40986(15) 0.61802(14) 0.30790(8) 0.0343(5) Uani 1 1 d . . . . .
H23 H 0.383282 0.592741 0.260506 0.041 Uiso 1 1 calc R U . . .
C20 C 0.48552(15) 0.69410(14) 0.44810(9) 0.0347(5) Uani 1 1 d . . . . .
H20 H 0.510831 0.719712 0.495669 0.042 Uiso 1 1 calc R U . . .
C16 C 0.71789(15) 0.46062(16) 0.53956(9) 0.0365(5) Uani 1 1 d . . . . .
H16 H 0.758244 0.457216 0.586544 0.044 Uiso 1 1 calc R U . . .
C3 C 0.49398(15) 0.11217(14) 0.39703(8) 0.0349(5) Uani 1 1 d . . . . .
H3 H 0.550981 0.073677 0.409497 0.042 Uiso 1 1 calc R U . . .
C17 C 0.65332(15) 0.53615(15) 0.52500(9) 0.0348(5) Uani 1 1 d . . . . .
H17 H 0.648030 0.584560 0.561665 0.042 Uiso 1 1 calc R U . . .
C22 C 0.37344(16) 0.70221(14) 0.33463(9) 0.0403(5) Uani 1 1 d . . . . .
H22 H 0.320321 0.734111 0.305362 0.048 Uiso 1 1 calc R U . . .
C10 C 0.15581(15) 0.45233(14) 0.26673(9) 0.0366(5) Uani 1 1 d . . . . .
H10 H 0.119810 0.504765 0.242091 0.044 Uiso 1 1 calc R U . . .
C5 C 0.32956(16) 0.14875(15) 0.41622(9) 0.0379(5) Uani 1 1 d . . . . .
H5 H 0.274262 0.135886 0.440220 0.045 Uiso 1 1 calc R U . . .
C12 C 0.16564(15) 0.32115(15) 0.35592(9) 0.0366(5) Uani 1 1 d . . . . .
H12 H 0.138071 0.284465 0.392154 0.044 Uiso 1 1 calc R U . . .
C11 C 0.11598(14) 0.39965(17) 0.32090(9) 0.0388(5) Uani 1 1 d . . . . .
H11 H 0.054366 0.417814 0.333804 0.047 Uiso 1 1 calc R U . . .
C4 C 0.41256(15) 0.09358(16) 0.43194(9) 0.0385(5) Uani 1 1 d . . . . .
H4 H 0.414548 0.042031 0.467097 0.046 Uiso 1 1 calc R U . . .
C21 C 0.41199(17) 0.74198(15) 0.40313(10) 0.0397(5) Uani 1 1 d . . . . .
H21 H 0.387646 0.802037 0.418863 0.048 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 0.0033 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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-3 -4 1 0.1170
3 5 -1 0.1010
-8 5 1 0.1380
7 -4 -1 0.0920
0 0 -1 0.0810
0 0 1 0.0910
3 -10 -1 0.1110
-3 10 1 0.1330
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
N2 V1 N2 107.21(8) 2_655 . ?
N2 V1 N1 114.78(6) 2_655 . ?
N2 V1 N1 104.37(6) 2_655 2_655 ?
N2 V1 N1 114.78(6) . 2_655 ?
N2 V1 N1 104.37(6) . . ?
N1 V1 N1 111.56(9) 2_655 . ?
C23 Na1 C23 81.02(9) 3_445 4_545 ?
C23 Na1 C12 108.03(6) 3_445 . ?
C23 Na1 C12 95.04(6) 3_445 2 ?
C23 Na1 C12 108.03(6) 4_545 2 ?
C23 Na1 C12 95.04(6) 4_545 . ?
C23 Na1 H11 119.19(6) 4_545 2 ?
C23 Na1 H11 135.93(6) 3_445 2 ?
C22 Na1 C23 29.97(6) 3_445 3_445 ?
C22 Na1 C23 110.97(7) 3_445 4_545 ?
C22 Na1 C23 110.97(7) 4_545 3_445 ?
C22 Na1 C23 29.97(6) 4_545 4_545 ?
C22 Na1 C22 140.93(10) 4_545 3_445 ?
C22 Na1 C12 103.45(6) 4_545 2 ?
C22 Na1 C12 86.68(6) 3_445 2 ?
C22 Na1 C12 86.68(6) 4_545 . ?
C22 Na1 C12 103.45(6) 3_445 . ?
C22 Na1 C11 110.92(6) 3_445 . ?
C22 Na1 C11 96.07(6) 3_445 2 ?
C22 Na1 C11 96.07(6) 4_545 . ?
C22 Na1 C11 110.92(6) 4_545 2 ?
C22 Na1 H11 116.24(6) 3_445 2 ?
C22 Na1 H11 95.07(6) 4_545 2 ?
C12 Na1 C12 149.71(10) 2 . ?
C12 Na1 H11 108.41(7) . 2 ?
C12 Na1 H11 43.09(6) 2 2 ?
C11 Na1 C23 115.56(6) . 4_545 ?
C11 Na1 C23 128.37(6) 2 4_545 ?
C11 Na1 C23 115.56(6) 2 3_445 ?
C11 Na1 C23 128.37(6) . 3_445 ?
C11 Na1 C12 121.05(8) 2 . ?
C11 Na1 C12 28.67(6) 2 2 ?
C11 Na1 C12 28.67(6) . . ?
C11 Na1 C12 121.05(8) . 2 ?
C11 Na1 C11 92.43(10) 2 . ?
C11 Na1 H11 80.63(10) . 2 ?
C11 Na1 H11 20.799(17) 2 2 ?
C13 N2 V1 128.74(12) . . ?
C24 N2 V1 125.10(11) . . ?
C24 N2 C13 105.20(13) . . ?
C1 N1 V1 121.87(12) . . ?
C8 N1 V1 125.62(12) . . ?
C8 N1 C1 104.96(14) . . ?
C6 C1 N1 111.06(17) . . ?
C2 C1 N1 128.24(17) . . ?
C2 C1 C6 120.69(16) . . ?
N1 C8 C7 111.29(15) . . ?
C9 C8 N1 128.71(17) . . ?
C9 C8 C7 119.99(18) . . ?
C18 C13 N2 110.59(16) . . ?
C14 C13 N2 129.07(15) . . ?
C14 C13 C18 120.33(14) . . ?
C13 C18 C19 106.77(14) . . ?
C17 C18 C13 120.32(18) . . ?
C17 C18 C19 132.89(17) . . ?
C8 C7 C6 106.14(16) . . ?
C12 C7 C8 120.38(18) . . ?
C12 C7 C6 133.37(17) . . ?
C1 C6 C7 106.52(15) . . ?
C5 C6 C1 120.11(18) . . ?
C5 C6 C7 133.36(18) . . ?
C24 C19 C18 105.86(15) . . ?
C20 C19 C18 133.32(15) . . ?
C20 C19 C24 120.82(16) . . ?
N2 C24 C19 111.52(15) . . ?
N2 C24 C23 129.19(15) . . ?
C23 C24 C19 119.28(16) . . ?
C1 C2 H2 121.0 . . ?
C3 C2 C1 118.08(18) . . ?
C3 C2 H2 121.0 . . ?
C8 C9 H9 120.6 . . ?
C10 C9 C8 118.76(17) . . ?
C10 C9 H9 120.6 . . ?
C13 C14 H14 120.8 . . ?
C15 C14 C13 118.35(16) . . ?
C15 C14 H14 120.8 . . ?
C14 C15 H15 119.4 . . ?
C14 C15 C16 121.30(19) . . ?
C16 C15 H15 119.4 . . ?
Na1 C23 H23 93.8 3 . ?
C24 C23 Na1 102.63(13) . 3 ?
C24 C23 H23 120.7 . . ?
C22 C23 Na1 73.37(12) . 3 ?
C22 C23 C24 118.59(16) . . ?
C22 C23 H23 120.7 . . ?
C19 C20 H20 120.3 . . ?
C21 C20 C19 119.30(16) . . ?
C21 C20 H20 120.3 . . ?
C15 C16 H16 119.6 . . ?
C17 C16 C15 120.83(16) . . ?
C17 C16 H16 119.6 . . ?
C2 C3 H3 119.3 . . ?
C2 C3 C4 121.40(19) . . ?
C4 C3 H3 119.3 . . ?
C18 C17 H17 120.6 . . ?
C16 C17 C18 118.84(17) . . ?
C16 C17 H17 120.6 . . ?
Na1 C22 H22 92.7 3 . ?
C23 C22 Na1 76.66(11) . 3 ?
C23 C22 H22 119.0 . . ?
C23 C22 C21 122.05(19) . . ?
C21 C22 Na1 100.66(14) . 3 ?
C21 C22 H22 119.0 . . ?
C9 C10 H10 119.3 . . ?
C9 C10 C11 121.36(18) . . ?
C11 C10 H10 119.3 . . ?
C6 C5 H5 120.6 . . ?
C4 C5 C6 118.81(19) . . ?
C4 C5 H5 120.6 . . ?
Na1 C12 H12 87.8 . . ?
C7 C12 Na1 116.07(11) . . ?
C7 C12 H12 120.5 . . ?
C11 C12 Na1 66.41(11) . . ?
C11 C12 C7 119.00(18) . . ?
C11 C12 H12 120.5 . . ?
Na1 C11 H11 78.2 . . ?
C10 C11 Na1 106.92(11) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 Na1 84.92(13) . . ?
C12 C11 C10 120.40(18) . . ?
C12 C11 H11 119.8 . . ?
C3 C4 H4 119.6 . . ?
C5 C4 C3 120.88(18) . . ?
C5 C4 H4 119.6 . . ?
C20 C21 C22 119.82(18) . . ?
C20 C21 H21 120.1 . . ?
C22 C21 H21 120.1 . . ?
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
V1 N2 1.9656(14) 2_655 ?
V1 N2 1.9657(14) . ?
V1 N1 1.9832(15) 2_655 ?
V1 N1 1.9832(15) . ?
Na1 C23 2.682(2) 4_545 ?
Na1 C23 2.682(2) 3_445 ?
Na1 C22 2.641(2) 3_445 ?
Na1 C22 2.641(2) 4_545 ?
Na1 C12 2.872(2) . ?
Na1 C12 2.872(2) 2 ?
Na1 C11 2.642(2) 2 ?
Na1 C11 2.642(2) . ?
Na1 H11 2.619(2) 2 ?
N2 C13 1.411(2) . ?
N2 C24 1.397(2) . ?
N1 C1 1.410(2) . ?
N1 C8 1.401(2) . ?
C1 C6 1.406(3) . ?
C1 C2 1.393(3) . ?
C8 C7 1.412(2) . ?
C8 C9 1.393(2) . ?
C13 C18 1.410(2) . ?
C13 C14 1.383(3) . ?
C18 C19 1.438(3) . ?
C18 C17 1.387(2) . ?
C7 C6 1.437(3) . ?
C7 C12 1.390(3) . ?
C6 C5 1.399(3) . ?
C19 C24 1.411(2) . ?
C19 C20 1.387(3) . ?
C24 C23 1.398(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.383(2) . ?
C9 H9 0.9500 . ?
C9 C10 1.378(3) . ?
C14 H14 0.9500 . ?
C14 C15 1.382(2) . ?
C15 H15 0.9500 . ?
C15 C16 1.389(3) . ?
C23 H23 0.9500 . ?
C23 C22 1.377(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.377(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.370(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.393(3) . ?
C17 H17 0.9500 . ?
C22 H22 0.9500 . ?
C22 C21 1.390(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.395(3) . ?
C5 H5 0.9500 . ?
C5 C4 1.372(3) . ?
C12 H12 0.9500 . ?
C12 C11 1.383(3) . ?
C11 H11 0.9500 . ?
C4 H4 0.9500 . ?
C21 H21 0.9500 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
V1 N2 C13 C18 -170.75(12) . . . . ?
V1 N2 C13 C14 9.5(3) . . . . ?
V1 N2 C24 C19 172.01(12) . . . . ?
V1 N2 C24 C23 -6.6(3) . . . . ?
V1 N1 C1 C6 152.90(12) . . . . ?
V1 N1 C1 C2 -25.8(2) . . . . ?
V1 N1 C8 C7 -150.76(11) . . . . ?
V1 N1 C8 C9 29.4(2) . . . . ?
Na1 C23 C22 C21 -94.35(19) 3 . . . ?
Na1 C22 C21 C20 -84.27(19) 3 . . . ?
Na1 C12 C11 C10 -106.66(17) . . . . ?
N2 C13 C18 C19 0.4(2) . . . . ?
N2 C13 C18 C17 178.90(17) . . . . ?
N2 C13 C14 C15 180.00(17) . . . . ?
N2 C24 C23 Na1 -101.45(19) . . . 3 ?
N2 C24 C23 C22 -179.22(18) . . . . ?
N1 C1 C6 C7 -1.79(19) . . . . ?
N1 C1 C6 C5 179.31(15) . . . . ?
N1 C1 C2 C3 179.51(16) . . . . ?
N1 C8 C7 C6 -0.06(19) . . . . ?
N1 C8 C7 C12 176.49(15) . . . . ?
N1 C8 C9 C10 -177.32(16) . . . . ?
C1 N1 C8 C7 -1.00(18) . . . . ?
C1 N1 C8 C9 179.12(16) . . . . ?
C1 C6 C5 C4 1.3(3) . . . . ?
C1 C2 C3 C4 0.6(3) . . . . ?
C8 N1 C1 C6 1.72(18) . . . . ?
C8 N1 C1 C2 -177.02(17) . . . . ?
C8 C7 C6 C1 1.10(18) . . . . ?
C8 C7 C6 C5 179.79(18) . . . . ?
C8 C7 C12 Na1 77.81(19) . . . . ?
C8 C7 C12 C11 1.6(3) . . . . ?
C8 C9 C10 C11 -0.1(3) . . . . ?
C13 N2 C24 C19 2.44(19) . . . . ?
C13 N2 C24 C23 -176.18(19) . . . . ?
C13 C18 C19 C24 1.10(19) . . . . ?
C13 C18 C19 C20 -178.71(19) . . . . ?
C13 C18 C17 C16 1.6(3) . . . . ?
C13 C14 C15 C16 0.5(3) . . . . ?
C18 C13 C14 C15 0.3(3) . . . . ?
C18 C19 C24 N2 -2.2(2) . . . . ?
C18 C19 C24 C23 176.53(17) . . . . ?
C18 C19 C20 C21 -178.7(2) . . . . ?
C7 C8 C9 C10 2.8(2) . . . . ?
C7 C6 C5 C4 -177.23(18) . . . . ?
C7 C12 C11 Na1 107.83(16) . . . . ?
C7 C12 C11 C10 1.2(3) . . . . ?
C6 C1 C2 C3 0.9(3) . . . . ?
C6 C7 C12 Na1 -106.76(19) . . . . ?
C6 C7 C12 C11 177.02(18) . . . . ?
C6 C5 C4 C3 0.1(3) . . . . ?
C19 C18 C17 C16 179.67(19) . . . . ?
C19 C24 C23 Na1 80.02(16) . . . 3 ?
C19 C24 C23 C22 2.3(3) . . . . ?
C19 C20 C21 C22 2.0(3) . . . . ?
C24 N2 C13 C18 -1.69(19) . . . . ?
C24 N2 C13 C14 178.60(19) . . . . ?
C24 C19 C20 C21 1.5(3) . . . . ?
C24 C23 C22 Na1 95.58(17) . . . 3 ?
C24 C23 C22 C21 1.2(3) . . . . ?
C2 C1 C6 C7 177.07(16) . . . . ?
C2 C1 C6 C5 -1.8(3) . . . . ?
C2 C3 C4 C5 -1.1(3) . . . . ?
C9 C8 C7 C6 179.83(14) . . . . ?
C9 C8 C7 C12 -3.6(2) . . . . ?
C9 C10 C11 Na1 -96.06(18) . . . . ?
C9 C10 C11 C12 -2.0(3) . . . . ?
C14 C13 C18 C19 -179.89(16) . . . . ?
C14 C13 C18 C17 -1.4(3) . . . . ?
C14 C15 C16 C17 -0.2(3) . . . . ?
C15 C16 C17 C18 -0.8(3) . . . . ?
C23 C22 C21 C20 -3.4(3) . . . . ?
C20 C19 C24 N2 177.59(16) . . . . ?
C20 C19 C24 C23 -3.6(3) . . . . ?
C17 C18 C19 C24 -177.2(2) . . . . ?
C17 C18 C19 C20 3.0(4) . . . . ?
C12 C7 C6 C1 -174.80(19) . . . . ?
C12 C7 C6 C5 3.9(3) . . . . ?
