#------------------------------------------------------------------------------
#$Date: 2023-05-05 06:06:11 +0300 (Fri, 05 May 2023) $
#$Revision: 283417 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/23/7062351.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_7062351
loop_
_publ_author_name
'Rana, Love Karan'
'Kaur, Prabhjyot'
'Bavandsavadkouhi, Alborz'
'Selopal, Gurpreet Singh'
'Duong, Adam'
_publ_section_title
;
 Isostructural coordination polymers of the tethering naphthalene anchored
 bis(2-methylpyridinecarboxamide) ligand: single crystal, XPS, EDS and
 theoretical studies
;
_journal_issue                   11
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              5477
_journal_page_last               5487
_journal_paper_doi               10.1039/D3NJ00038A
_journal_volume                  47
_journal_year                    2023
_chemical_formula_moiety         'C24 H20 N4 O2'
_chemical_formula_sum            'C24 H20 N4 O2'
_chemical_formula_weight         396.44
_chemical_name_systematic        L2
_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
_atom_sites_solution_primary     dual
_audit_creation_date             2023-01-19
_audit_creation_method
;
Olex2 1.3-alpha
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2023-01-25 deposited with the CCDC.	2023-02-01 downloaded from the CCDC.
;
_cell_angle_alpha                103.639(10)
_cell_angle_beta                 98.532(9)
_cell_angle_gamma                113.079(9)
_cell_formula_units_Z            2
_cell_length_a                   9.7788(9)
_cell_length_b                   10.0719(10)
_cell_length_c                   11.6525(15)
_cell_measurement_reflns_used    1895
_cell_measurement_temperature    150.15
_cell_measurement_theta_max      30.1480
_cell_measurement_theta_min      3.7200
_cell_volume                     988.1(2)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150.15
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0309
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   52.00   88.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       25.3597   57.0000  -90.0000 36

#__ type_ start__ end____ width___ exp.time_
  2 omega  -18.00   43.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       25.3597  -99.0000   90.0000 61

#__ type_ start__ end____ width___ exp.time_
  3 omega   33.00   72.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       25.3597   57.0000   30.0000 39

#__ type_ start__ end____ width___ exp.time_
  4 omega   28.00   67.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       25.3597  -99.0000 -120.0000 39

#__ type_ start__ end____ width___ exp.time_
  5 omega   -1.00   67.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       25.3597  -99.0000  -30.0000 68

#__ type_ start__ end____ width___ exp.time_
  6 omega   26.00   62.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       25.3597  -99.0000  120.0000 36

#__ type_ start__ end____ width___ exp.time_
  7 omega   50.00   78.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       25.3597 -118.0000   69.0000 28

#__ type_ start__ end____ width___ exp.time_
  8 omega    9.00   97.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       25.3597   37.0000 -120.0000 88

#__ type_ start__ end____ width___ exp.time_
  9 omega  -47.00   24.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       25.3597  -19.0000   90.0000 71
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0642905000
_diffrn_orient_matrix_UB_12      0.0253731000
_diffrn_orient_matrix_UB_13      -0.0244364000
_diffrn_orient_matrix_UB_21      0.0506875000
_diffrn_orient_matrix_UB_22      0.0266091000
_diffrn_orient_matrix_UB_23      0.0593954000
_diffrn_orient_matrix_UB_31      0.0005243000
_diffrn_orient_matrix_UB_32      -0.0720492000
_diffrn_orient_matrix_UB_33      -0.0102629000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0547
_diffrn_reflns_av_unetI/netI     0.0656
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            7397
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         3.162
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.40937
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.332
_exptl_crystal_description       needles
_exptl_crystal_F_000             416
_exptl_crystal_preparation       'slow evaporation'
_exptl_crystal_recrystallization_method 'In methanol'
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.467
_refine_diff_density_min         -0.405
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         3465
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.1365
_refine_ls_R_factor_gt           0.0911
_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)+(0.1755P)²+0.4870P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3047
_refine_ls_wR_factor_ref         0.3399
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1885
_reflns_number_total             3465
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3nj00038a2.cif
_cod_data_source_block           gndu024
_cod_depositor_comments
'Adding full bibliography for 7062349--7062352.cif.'
_cod_database_code               7062351
_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.
;
_shelx_estimated_absorpt_t_max   0.990
_shelx_estimated_absorpt_t_min   0.980
_reflns_odcompleteness_completeness 99.78
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     30.44
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
2.a Secondary CH2 refined with riding coordinates:
 C19(H19A,H19B), C12(H12A,H12B)
2.b Aromatic/amide H refined with riding coordinates:
 N1(H1), N3(H3), C3(H3A), C8(H8), C4(H4), C6(H6), C9(H9), C1(H1A), C21(H21),
 C17(H17), C22(H22), C23(H23), C16(H16), C24(H24), C14(H14), C15(H15)
;
_olex2_submission_special_instructions 'No special instructions were received'
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
O2 O -0.0061(3) 0.7038(3) 0.3387(3) 0.0545(8) Uani 1 1 d . . . . .
O1 O 1.0062(3) 0.7999(3) 0.6702(3) 0.0514(8) Uani 1 1 d . . . . .
N1 N 1.0312(4) 1.0340(3) 0.6800(3) 0.0434(8) Uani 1 1 d . . . . .
H1 H 0.985182 1.088037 0.659816 0.052 Uiso 1 1 calc R U . . .
N3 N -0.0290(4) 0.4678(3) 0.3189(3) 0.0428(8) Uani 1 1 d . . . . .
H3 H 0.017853 0.412440 0.334024 0.051 Uiso 1 1 calc R U . . .
C11 C 0.9489(4) 0.8825(4) 0.6474(3) 0.0384(9) Uani 1 1 d . . . . .
C18 C 0.0522(4) 0.6197(4) 0.3563(3) 0.0378(9) Uani 1 1 d . . . . .
C7 C 0.2187(4) 0.6837(4) 0.4234(3) 0.0364(9) Uani 1 1 d . . . . .
C5 C 0.4680(4) 0.6807(4) 0.4533(3) 0.0352(8) Uani 1 1 d . . . . .
C3 C 0.7155(4) 0.6761(4) 0.4857(3) 0.0404(9) Uani 1 1 d . . . . .
H3A H 0.777373 0.626047 0.465247 0.049 Uiso 1 1 calc R U . . .
C10 C 0.5330(4) 0.8222(4) 0.5507(3) 0.0371(9) Uani 1 1 d . . . . .
C2 C 0.7823(4) 0.8181(4) 0.5809(3) 0.0375(9) Uani 1 1 d . . . . .
C8 C 0.2847(4) 0.8264(4) 0.5183(3) 0.0401(9) Uani 1 1 d . . . . .
H8 H 0.222783 0.876616 0.538100 0.048 Uiso 1 1 calc R U . . .
C4 C 0.5636(4) 0.6103(4) 0.4230(3) 0.0419(9) Uani 1 1 d . . . . .
H4 H 0.521535 0.516214 0.358206 0.050 Uiso 1 1 calc R U . . .
C6 C 0.3087(4) 0.6130(4) 0.3918(3) 0.0385(9) Uani 1 1 d . . . . .
H6 H 0.263899 0.517733 0.328050 0.046 Uiso 1 1 calc R U . . .
C9 C 0.4368(4) 0.8917(4) 0.5810(3) 0.0422(9) Uani 1 1 d . . . . .
H9 H 0.478731 0.985473 0.646191 0.051 Uiso 1 1 calc R U . . .
C19 C -0.1924(4) 0.3912(4) 0.2538(3) 0.0451(10) Uani 1 1 d . . . . .
H19A H -0.235116 0.466236 0.266340 0.054 Uiso 1 1 calc R U . . .
H19B H -0.247423 0.311835 0.289036 0.054 Uiso 1 1 calc R U . . .
C20 C -0.2219(4) 0.3181(4) 0.1180(3) 0.0421(10) Uani 1 1 d . . . . .
C1 C 0.6918(4) 0.8888(4) 0.6116(3) 0.0385(9) Uani 1 1 d . . . . .
H1A H 0.736863 0.984379 0.675092 0.046 Uiso 1 1 calc R U . . .
C12 C 1.1917(4) 1.1119(4) 0.7467(4) 0.0468(10) Uani 1 1 d . . . . .
H12A H 1.246224 1.192191 0.712093 0.056 Uiso 1 1 calc R U . . .
H12B H 1.236086 1.038283 0.734105 0.056 Uiso 1 1 calc R U . . .
N4 N -0.2802(5) 0.1810(6) -0.1343(4) 0.0811(14) Uani 1 1 d . . . . .
N2 N 1.2896(6) 1.3249(5) 1.1365(4) 0.0813(14) Uani 1 1 d . . . . .
C13 C 1.2217(4) 1.1847(4) 0.8834(4) 0.0442(10) Uani 1 1 d . . . . .
C21 C -0.1902(5) 0.4022(5) 0.0416(4) 0.0612(12) Uani 1 1 d . . . . .
H21 H -0.146201 0.510280 0.073499 0.073 Uiso 1 1 calc R U . . .
C17 C 1.1091(5) 1.1688(5) 0.9425(4) 0.0649(13) Uani 1 1 d . . . . .
H17 H 1.003660 1.109246 0.897685 0.078 Uiso 1 1 calc R U . . .
C22 C -0.2219(6) 0.3312(6) -0.0824(4) 0.0776(15) Uani 1 1 d . . . . .
H22 H -0.200779 0.393199 -0.133789 0.093 Uiso 1 1 calc R U . . .
C23 C -0.3096(6) 0.1002(6) -0.0595(5) 0.0797(16) Uani 1 1 d . . . . .
H23 H -0.352148 -0.007527 -0.093920 0.096 Uiso 1 1 calc R U . . .
C16 C 1.1479(6) 1.2390(6) 1.0672(5) 0.0782(16) Uani 1 1 d . . . . .
H16 H 1.066446 1.224046 1.105723 0.094 Uiso 1 1 calc R U . . .
C24 C -0.2831(6) 0.1611(5) 0.0657(4) 0.0674(13) Uani 1 1 d . . . . .
H24 H -0.306363 0.096546 0.114941 0.081 Uiso 1 1 calc R U . . .
C14 C 1.3714(5) 1.2744(6) 0.9532(4) 0.0802(17) Uani 1 1 d . . . . .
H14 H 1.454738 1.290594 0.916746 0.096 Uiso 1 1 calc R U . . .
C15 C 1.3986(7) 1.3409(7) 1.0779(5) 0.096(2) Uani 1 1 d . . . . .
H15 H 1.502823 1.402501 1.124892 0.115 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'
O O 0.0106 0.0060 '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
C11 N1 H1 118.7 . . ?
C11 N1 C12 122.6(3) . . ?
C12 N1 H1 118.7 . . ?
C18 N3 H3 119.0 . . ?
C18 N3 C19 122.1(3) . . ?
C19 N3 H3 119.0 . . ?
O1 C11 N1 122.2(3) . . ?
O1 C11 C2 121.2(3) . . ?
N1 C11 C2 116.5(3) . . ?
O2 C18 N3 122.4(3) . . ?
O2 C18 C7 121.1(3) . . ?
N3 C18 C7 116.6(3) . . ?
C8 C7 C18 117.6(3) . . ?
C6 C7 C18 122.2(3) . . ?
C6 C7 C8 120.1(3) . . ?
C4 C5 C10 119.0(3) . . ?
C4 C5 C6 122.0(3) . . ?
C6 C5 C10 119.0(3) . . ?
C2 C3 H3A 119.5 . . ?
C4 C3 H3A 119.5 . . ?
C4 C3 C2 120.9(3) . . ?
C9 C10 C5 118.8(3) . . ?
C1 C10 C5 118.7(3) . . ?
C1 C10 C9 122.5(3) . . ?
C3 C2 C11 118.2(3) . . ?
C1 C2 C11 122.4(3) . . ?
C1 C2 C3 119.4(3) . . ?
C7 C8 H8 119.9 . . ?
C9 C8 C7 120.2(3) . . ?
C9 C8 H8 119.9 . . ?
C5 C4 H4 119.6 . . ?
C3 C4 C5 120.7(3) . . ?
C3 C4 H4 119.6 . . ?
C7 C6 C5 120.7(3) . . ?
C7 C6 H6 119.7 . . ?
C5 C6 H6 119.7 . . ?
C10 C9 H9 119.4 . . ?
C8 C9 C10 121.1(3) . . ?
C8 C9 H9 119.4 . . ?
N3 C19 H19A 109.0 . . ?
N3 C19 H19B 109.0 . . ?
N3 C19 C20 112.8(3) . . ?
H19A C19 H19B 107.8 . . ?
C20 C19 H19A 109.0 . . ?
C20 C19 H19B 109.0 . . ?
C21 C20 C19 121.7(4) . . ?
C21 C20 C24 116.9(4) . . ?
C24 C20 C19 121.3(4) . . ?
C10 C1 H1A 119.4 . . ?
C2 C1 C10 121.3(3) . . ?
C2 C1 H1A 119.4 . . ?
N1 C12 H12A 108.7 . . ?
N1 C12 H12B 108.7 . . ?
N1 C12 C13 114.3(3) . . ?
H12A C12 H12B 107.6 . . ?
C13 C12 H12A 108.7 . . ?
C13 C12 H12B 108.7 . . ?
C23 N4 C22 115.7(4) . . ?
C16 N2 C15 115.1(4) . . ?
C17 C13 C12 124.2(4) . . ?
C17 C13 C14 117.0(4) . . ?
C14 C13 C12 118.8(4) . . ?
C20 C21 H21 119.9 . . ?
C20 C21 C22 120.1(4) . . ?
C22 C21 H21 119.9 . . ?
C13 C17 H17 120.0 . . ?
C13 C17 C16 120.0(4) . . ?
C16 C17 H17 120.0 . . ?
N4 C22 C21 123.8(5) . . ?
N4 C22 H22 118.1 . . ?
C21 C22 H22 118.1 . . ?
N4 C23 H23 117.7 . . ?
N4 C23 C24 124.6(5) . . ?
C24 C23 H23 117.7 . . ?
N2 C16 C17 124.5(5) . . ?
N2 C16 H16 117.7 . . ?
C17 C16 H16 117.7 . . ?
C20 C24 H24 120.6 . . ?
C23 C24 C20 118.8(5) . . ?
C23 C24 H24 120.6 . . ?
C13 C14 H14 120.7 . . ?
C13 C14 C15 118.7(5) . . ?
C15 C14 H14 120.7 . . ?
N2 C15 C14 124.8(5) . . ?
N2 C15 H15 117.6 . . ?
C14 C15 H15 117.6 . . ?
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
O2 C18 1.229(4) . ?
O1 C11 1.226(4) . ?
N1 H1 0.8800 . ?
N1 C11 1.339(5) . ?
N1 C12 1.438(5) . ?
N3 H3 0.8800 . ?
N3 C18 1.339(5) . ?
N3 C19 1.457(4) . ?
C11 C2 1.495(5) . ?
C18 C7 1.497(5) . ?
C7 C8 1.420(5) . ?
C7 C6 1.371(5) . ?
C5 C10 1.427(5) . ?
C5 C4 1.415(5) . ?
C5 C6 1.418(5) . ?
C3 H3A 0.9500 . ?
C3 C2 1.417(5) . ?
C3 C4 1.362(5) . ?
C10 C9 1.414(5) . ?
C10 C1 1.413(5) . ?
C2 C1 1.374(5) . ?
C8 H8 0.9500 . ?
C8 C9 1.365(5) . ?
C4 H4 0.9500 . ?
C6 H6 0.9500 . ?
C9 H9 0.9500 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.509(5) . ?
C20 C21 1.356(6) . ?
C20 C24 1.388(5) . ?
C1 H1A 0.9500 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C13 1.518(5) . ?
N4 C22 1.330(7) . ?
N4 C23 1.316(7) . ?
N2 C16 1.311(7) . ?
N2 C15 1.327(7) . ?
C13 C17 1.361(6) . ?
C13 C14 1.373(6) . ?
C21 H21 0.9500 . ?
C21 C22 1.379(6) . ?
C17 H17 0.9500 . ?
C17 C16 1.378(6) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C23 C24 1.383(7) . ?
C16 H16 0.9500 . ?
C24 H24 0.9500 . ?
C14 H14 0.9500 . ?
C14 C15 1.384(7) . ?
C15 H15 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
O2 C18 C7 C8 33.1(5) . . . . ?
O2 C18 C7 C6 -143.5(4) . . . . ?
O1 C11 C2 C3 -37.0(5) . . . . ?
O1 C11 C2 C1 140.6(4) . . . . ?
N1 C11 C2 C3 142.7(4) . . . . ?
N1 C11 C2 C1 -39.6(5) . . . . ?
N1 C12 C13 C17 5.5(6) . . . . ?
N1 C12 C13 C14 -173.6(4) . . . . ?
N3 C18 C7 C8 -145.9(4) . . . . ?
N3 C18 C7 C6 37.5(5) . . . . ?
N3 C19 C20 C21 -73.6(5) . . . . ?
N3 C19 C20 C24 106.6(4) . . . . ?
C11 N1 C12 C13 -99.5(4) . . . . ?
C11 C2 C1 C10 -177.2(3) . . . . ?
C18 N3 C19 C20 103.8(4) . . . . ?
C18 C7 C8 C9 -178.7(3) . . . . ?
C18 C7 C6 C5 176.8(3) . . . . ?
C7 C8 C9 C10 2.2(6) . . . . ?
C5 C10 C9 C8 -0.6(6) . . . . ?
C5 C10 C1 C2 -1.7(6) . . . . ?
C3 C2 C1 C10 0.4(6) . . . . ?
C10 C5 C4 C3 0.1(6) . . . . ?
C10 C5 C6 C7 1.3(5) . . . . ?
C2 C3 C4 C5 -1.4(6) . . . . ?
C8 C7 C6 C5 0.3(5) . . . . ?
C4 C5 C10 C9 -179.7(3) . . . . ?
C4 C5 C10 C1 1.4(5) . . . . ?
C4 C5 C6 C7 179.8(3) . . . . ?
C4 C3 C2 C11 178.9(3) . . . . ?
C4 C3 C2 C1 1.2(6) . . . . ?
C6 C7 C8 C9 -2.0(6) . . . . ?
C6 C5 C10 C9 -1.2(5) . . . . ?
C6 C5 C10 C1 179.9(3) . . . . ?
C6 C5 C4 C3 -178.4(3) . . . . ?
C9 C10 C1 C2 179.5(3) . . . . ?
C19 N3 C18 O2 0.4(5) . . . . ?
C19 N3 C18 C7 179.3(3) . . . . ?
C19 C20 C21 C22 -178.6(4) . . . . ?
C19 C20 C24 C23 179.1(4) . . . . ?
C20 C21 C22 N4 -1.6(8) . . . . ?
C1 C10 C9 C8 178.2(3) . . . . ?
C12 N1 C11 O1 -1.5(6) . . . . ?
C12 N1 C11 C2 178.7(3) . . . . ?
C12 C13 C17 C16 179.7(4) . . . . ?
C12 C13 C14 C15 179.9(5) . . . . ?
N4 C23 C24 C20 0.4(9) . . . . ?
C13 C17 C16 N2 1.0(9) . . . . ?
C13 C14 C15 N2 -0.1(10) . . . . ?
C21 C20 C24 C23 -0.7(7) . . . . ?
C17 C13 C14 C15 0.7(8) . . . . ?
C22 N4 C23 C24 -0.5(9) . . . . ?
C23 N4 C22 C21 1.1(8) . . . . ?
C16 N2 C15 C14 -0.1(10) . . . . ?
C24 C20 C21 C22 1.3(7) . . . . ?
C14 C13 C17 C16 -1.1(7) . . . . ?
C15 N2 C16 C17 -0.4(9) . . . . ?
