#------------------------------------------------------------------------------
#$Date: 2023-07-12 02:07:24 +0300 (Wed, 12 Jul 2023) $
#$Revision: 285164 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/34/7713433.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_7713433
loop_
_publ_author_name
'Masuda, Syunya'
'Kusumoto, Sotaro'
'Okamura, Masaya'
'Hikichi, Shiro'
'Tokunaga, Ryuya'
'Hayami, Shinya'
'Kim, Yang'
'Koide, Yoshihiro'
_publ_section_title
;
 Thermosalient effect of naphthalene diimide and tetrachlorocobaltate
 hybrid and changes of color and magnetic property by ammonia vapor
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT01822A
_journal_year                    2023
_chemical_formula_moiety         'Cl4 Co, 2(C12 H7 N2 O2), H2 O'
_chemical_formula_sum            'C24 H16 Cl4 Co N4 O5'
_chemical_formula_weight         641.14
_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   mixed
_audit_creation_date             2022-12-08
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2023-07-06 deposited with the CCDC.	2023-07-10 downloaded from the CCDC.
;
_cell_angle_alpha                106.092(10)
_cell_angle_beta                 93.459(10)
_cell_angle_gamma                93.474(8)
_cell_formula_units_Z            2
_cell_length_a                   9.6173(10)
_cell_length_b                   9.7060(10)
_cell_length_c                   14.232(2)
_cell_measurement_reflns_used    3340
_cell_measurement_temperature    300
_cell_measurement_theta_max      24.0400
_cell_measurement_theta_min      2.1240
_cell_volume                     1270.0(3)
_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_diffrn_ambient_temperature      300.0
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.937
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -100.00  80.00   0.50    5.00    --  -10.00  45.00  90.00  360
  2  ω    -70.00  50.00   0.50    5.00    --  -10.00  45.00   0.00  240
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0547
_diffrn_reflns_av_unetI/netI     0.0909
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.937
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            9791
_diffrn_reflns_point_group_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.937
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.370
_diffrn_reflns_theta_min         2.128
_exptl_absorpt_coefficient_mu    1.142
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.66677
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.677
_exptl_crystal_description       block
_exptl_crystal_F_000             646
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.201
_refine_diff_density_min         -0.867
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     346
_refine_ls_number_reflns         4856
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.1594
_refine_ls_R_factor_gt           0.1016
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1823P)²+1.1677P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2801
_refine_ls_wR_factor_ref         0.3324
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2800
_reflns_number_total             4856
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt01822a3.cif
_cod_data_source_block           220331_condi_autored
_cod_original_cell_volume        1269.9(3)
_cod_database_code               7713433
_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   0.989
_shelx_estimated_absorpt_t_min   0.894
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All O(H,H) groups
2.a Free rotating group:
 O5(H5A,H5B)
2.b Aromatic/amide H refined with riding coordinates:
 N1(H1), N3(H3A), C12(H12), C23(H23), C5(H5), C11(H11), C24(H24), C13(H13),
 C15(H15), C14(H14), C17(H17), C1(H1A), C2(H2), C3(H3)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
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
Co1 Co 0.95460(12) 0.54232(12) 0.25670(9) 0.0543(5) Uani 1 1 d . . . . .
Cl3 Cl 1.1607(2) 0.4838(3) 0.31704(18) 0.0673(7) Uani 1 1 d . . . . .
Cl2 Cl 0.8289(3) 0.6060(3) 0.3888(2) 0.0754(8) Uani 1 1 d . . . . .
Cl4 Cl 0.9927(3) 0.7245(3) 0.1876(2) 0.0775(8) Uani 1 1 d . . . . .
Cl1 Cl 0.8524(4) 0.3537(3) 0.1393(2) 0.0926(10) Uani 1 1 d . . . . .
O1 O 0.4750(7) 0.3640(7) 0.1915(4) 0.0631(17) Uani 1 1 d . . . . .
O2 O 0.4939(8) 0.8370(7) 0.3684(4) 0.0678(18) Uani 1 1 d . . . . .
O3 O 0.8607(8) 0.9081(8) 0.7019(5) 0.0758(19) Uani 1 1 d . . . . .
N2 N 0.4922(7) 0.6001(8) 0.2828(5) 0.0508(17) Uani 1 1 d . . . . .
O4 O 1.3196(7) 0.9816(8) 0.8099(5) 0.0735(19) Uani 1 1 d . . . . .
N4 N 1.0912(8) 0.9323(7) 0.7559(5) 0.0507(17) Uani 1 1 d . . . . .
C8 C 0.4991(7) 0.5205(9) 0.4567(5) 0.0401(17) Uani 1 1 d . . . . .
N1 N 0.5732(9) 0.6750(9) 0.0504(6) 0.069(2) Uani 1 1 d . . . . .
H1 H 0.643469 0.676653 0.015973 0.083 Uiso 1 1 calc R U . . .
N3 N 1.1393(9) 0.7525(10) 0.5018(6) 0.073(2) Uani 1 1 d . . . . .
H3A H 1.131322 0.666022 0.463678 0.088 Uiso 1 1 calc R U . . .
C7 C 0.4978(8) 0.6671(9) 0.4615(6) 0.0438(18) Uani 1 1 d . . . . .
C9 C 0.4965(8) 0.4122(9) 0.3661(6) 0.0477(19) Uani 1 1 d . . . . .
C21 C 0.9098(9) 0.9502(9) 0.8728(7) 0.053(2) Uani 1 1 d . . . . .
C10 C 0.4879(8) 0.4525(10) 0.2715(6) 0.049(2) Uani 1 1 d . . . . .
C18 C 1.2004(10) 0.9733(9) 0.8300(7) 0.057(2) Uani 1 1 d . . . . .
C12 C 0.5001(8) 0.2313(9) 0.4502(6) 0.0476(19) Uani 1 1 d . . . . .
H12 H 0.500330 0.134678 0.448188 0.057 Uiso 1 1 calc R U . . .
C6 C 0.4944(9) 0.7125(10) 0.3682(6) 0.051(2) Uani 1 1 d . . . . .
C23 C 0.7732(10) 0.9433(10) 0.8941(7) 0.064(2) Uani 1 1 d . . . . .
H23 H 0.702659 0.922141 0.843345 0.076 Uiso 1 1 calc R U . . .
C5 C 0.5902(9) 0.6422(10) 0.1370(6) 0.054(2) Uani 1 1 d . . . . .
H5 H 0.677077 0.619864 0.158296 0.065 Uiso 1 1 calc R U . . .
C19 C 1.1596(9) 0.9972(9) 0.9323(7) 0.056(2) Uani 1 1 d . . . . .
C16 C 1.1250(9) 0.9126(9) 0.6573(7) 0.057(2) Uani 1 1 d . . . . .
C11 C 0.4977(9) 0.2701(10) 0.3632(6) 0.051(2) Uani 1 1 d . . . . .
H11 H 0.497016 0.199983 0.303401 0.061 Uiso 1 1 calc R U . . .
C4 C 0.4790(9) 0.6423(9) 0.1930(6) 0.050(2) Uani 1 1 d . . . . .
C24 C 0.7377(9) 0.9677(9) 0.9915(6) 0.053(2) Uani 1 1 d . . . . .
H24 H 0.644367 0.959989 1.004508 0.064 Uiso 1 1 calc R U . . .
C20 C 1.0176(9) 0.9875(9) 0.9507(7) 0.053(2) Uani 1 1 d . . . . .
C13 C 1.1775(10) 0.8573(12) 0.4641(7) 0.068(3) Uani 1 1 d . . . . .
H13 H 1.193919 0.836684 0.398142 0.081 Uiso 1 1 calc R U . . .
C15 C 1.1664(10) 1.0235(10) 0.6211(7) 0.059(2) Uani 1 1 d . . . . .
H15 H 1.177232 1.117261 0.661953 0.071 Uiso 1 1 calc R U . . .
C14 C 1.1927(11) 0.9952(13) 0.5218(8) 0.073(3) Uani 1 1 d . . . . .
H14 H 1.220041 1.069850 0.495939 0.088 Uiso 1 1 calc R U . . .
C17 C 1.1126(12) 0.7715(11) 0.5938(8) 0.070(3) Uani 1 1 d . . . . .
H17 H 1.086077 0.693512 0.616601 0.085 Uiso 1 1 calc R U . . .
C22 C 0.9472(10) 0.9287(10) 0.7720(7) 0.058(2) Uani 1 1 d . . . . .
C1 C 0.4463(13) 0.7050(11) 0.0178(7) 0.072(3) Uani 1 1 d . . . . .
H1A H 0.434249 0.724018 -0.042598 0.086 Uiso 1 1 calc R U . . .
C2 C 0.3393(11) 0.7069(16) 0.0729(7) 0.085(4) Uani 1 1 d . . . . .
H2 H 0.252472 0.729193 0.051473 0.102 Uiso 1 1 calc R U . . .
C3 C 0.3558(11) 0.6767(16) 0.1599(8) 0.088(4) Uani 1 1 d . . . . .
H3 H 0.279990 0.679887 0.197825 0.105 Uiso 1 1 calc R U . . .
O5 O 0.8257(13) 0.6217(13) -0.0371(10) 0.136(4) Uani 1 1 d G . . . .
H5A H 0.902586 0.612189 -0.007684 0.203 Uiso 1 1 d G U . . .
H5B H 0.836692 0.586229 -0.097610 0.203 Uiso 1 1 d G 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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
Cl2 Co1 Cl3 104.21(11) . . ?
Cl2 Co1 Cl4 112.33(11) . . ?
Cl4 Co1 Cl3 110.36(11) . . ?
Cl1 Co1 Cl3 109.89(11) . . ?
Cl1 Co1 Cl2 112.75(13) . . ?
Cl1 Co1 Cl4 107.31(13) . . ?
C10 N2 C4 115.9(7) . . ?
C6 N2 C10 129.0(7) . . ?
C6 N2 C4 114.8(7) . . ?
C18 N4 C16 117.9(7) . . ?
C18 N4 C22 124.8(7) . . ?
C22 N4 C16 116.7(7) . . ?
C8 C8 C7 119.3(9) 2_666 . ?
C8 C8 C9 118.8(9) 2_666 . ?
C7 C8 C9 121.9(7) . . ?
C5 N1 H1 119.8 . . ?
C1 N1 H1 119.8 . . ?
C1 N1 C5 120.5(8) . . ?
C13 N3 H3A 117.8 . . ?
C13 N3 C17 124.3(9) . . ?
C17 N3 H3A 117.8 . . ?
C8 C7 C6 119.8(7) . . ?
C12 C7 C8 120.6(7) 2_666 . ?
C12 C7 C6 119.6(8) 2_666 . ?
C8 C9 C10 119.9(8) . . ?
C11 C9 C8 120.9(7) . . ?
C11 C9 C10 119.1(7) . . ?
C23 C21 C20 119.5(8) . . ?
C23 C21 C22 121.3(8) . . ?
C20 C21 C22 119.1(8) . . ?
O1 C10 N2 122.5(7) . . ?
O1 C10 C9 123.0(8) . . ?
N2 C10 C9 114.5(7) . . ?
O4 C18 N4 120.6(8) . . ?
O4 C18 C19 123.3(9) . . ?
N4 C18 C19 116.0(8) . . ?
C7 C12 H12 119.6 2_666 . ?
C7 C12 C11 120.9(8) 2_666 . ?
C11 C12 H12 119.6 . . ?
O2 C6 N2 122.9(7) . . ?
O2 C6 C7 122.4(7) . . ?
N2 C6 C7 114.7(8) . . ?
C21 C23 H23 119.5 . . ?
C21 C23 C24 121.0(8) . . ?
C24 C23 H23 119.5 . . ?
N1 C5 H5 120.1 . . ?
N1 C5 C4 119.9(9) . . ?
C4 C5 H5 120.1 . . ?
C24 C19 C18 119.1(8) 2_777 . ?
C24 C19 C20 120.6(8) 2_777 . ?
C20 C19 C18 120.3(8) . . ?
C15 C16 N4 123.2(8) . . ?
C15 C16 C17 118.7(9) . . ?
C17 C16 N4 118.0(8) . . ?
C9 C11 C12 119.6(8) . . ?
C9 C11 H11 120.2 . . ?
C12 C11 H11 120.2 . . ?
C5 C4 N2 121.0(8) . . ?
C3 C4 N2 120.9(8) . . ?
C3 C4 C5 118.0(8) . . ?
C23 C24 H24 119.8 . . ?
C19 C24 C23 120.3(8) 2_777 . ?
C19 C24 H24 119.8 2_777 . ?
C19 C20 C21 121.5(8) . . ?
C19 C20 C20 118.8(10) . 2_777 ?
C20 C20 C21 119.7(10) 2_777 . ?
N3 C13 H13 120.0 . . ?
N3 C13 C14 119.9(9) . . ?
C14 C13 H13 120.0 . . ?
C16 C15 H15 120.2 . . ?
C16 C15 C14 119.6(9) . . ?
C14 C15 H15 120.2 . . ?
C13 C14 C15 118.9(10) . . ?
C13 C14 H14 120.6 . . ?
C15 C14 H14 120.6 . . ?
N3 C17 C16 118.5(9) . . ?
N3 C17 H17 120.7 . . ?
C16 C17 H17 120.7 . . ?
O3 C22 N4 119.1(9) . . ?
O3 C22 C21 123.2(9) . . ?
N4 C22 C21 117.7(8) . . ?
N1 C1 H1A 120.3 . . ?
C2 C1 N1 119.4(9) . . ?
C2 C1 H1A 120.3 . . ?
C1 C2 H2 119.8 . . ?
C1 C2 C3 120.5(10) . . ?
C3 C2 H2 119.8 . . ?
C4 C3 H3 119.2 . . ?
C2 C3 C4 121.7(9) . . ?
C2 C3 H3 119.2 . . ?
H5A O5 H5B 104.5 . . ?
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
Co1 Cl3 2.278(3) . ?
Co1 Cl2 2.258(3) . ?
Co1 Cl4 2.271(3) . ?
Co1 Cl1 2.235(3) . ?
O1 C10 1.216(10) . ?
O2 C6 1.208(10) . ?
O3 C22 1.224(11) . ?
N2 C10 1.394(11) . ?
N2 C6 1.389(11) . ?
N2 C4 1.447(10) . ?
O4 C18 1.201(11) . ?
N4 C18 1.400(12) . ?
N4 C16 1.423(11) . ?
N4 C22 1.417(12) . ?
C8 C8 1.395(15) 2_666 ?
C8 C7 1.406(12) . ?
C8 C9 1.417(11) . ?
N1 H1 0.8600 . ?
N1 C5 1.359(11) . ?
N1 C1 1.356(14) . ?
N3 H3A 0.8600 . ?
N3 C13 1.318(13) . ?
N3 C17 1.314(12) . ?
C7 C12 1.364(11) 2_666 ?
C7 C6 1.510(11) . ?
C9 C10 1.502(11) . ?
C9 C11 1.370(12) . ?
C21 C23 1.368(13) . ?
C21 C20 1.424(12) . ?
C21 C22 1.462(13) . ?
C18 C19 1.490(13) . ?
C12 H12 0.9300 . ?
C12 C11 1.390(11) . ?
C23 H23 0.9300 . ?
C23 C24 1.408(13) . ?
C5 H5 0.9300 . ?
C5 C4 1.371(12) . ?
C19 C24 1.375(12) 2_777 ?
C19 C20 1.409(12) . ?
C16 C15 1.365(12) . ?
C16 C17 1.410(13) . ?
C11 H11 0.9300 . ?
C4 C3 1.344(14) . ?
C24 H24 0.9300 . ?
C20 C20 1.422(17) 2_777 ?
C13 H13 0.9300 . ?
C13 C14 1.356(15) . ?
C15 H15 0.9300 . ?
C15 C14 1.405(13) . ?
C14 H14 0.9300 . ?
C17 H17 0.9300 . ?
C1 H1A 0.9300 . ?
C1 C2 1.329(15) . ?
C2 H2 0.9300 . ?
C2 C3 1.352(14) . ?
C3 H3 0.9300 . ?
O5 H5A 0.8500 . ?
O5 H5B 0.8500 . ?
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
N2 C4 C3 C2 -175.4(11) . . . . ?
O4 C18 C19 C24 0.8(14) . . . 2_777 ?
O4 C18 C19 C20 179.2(9) . . . . ?
N4 C18 C19 C24 177.6(8) . . . 2_777 ?
N4 C18 C19 C20 -4.1(12) . . . . ?
N4 C16 C15 C14 -177.5(9) . . . . ?
N4 C16 C17 N3 177.9(9) . . . . ?
C8 C8 C7 C12 0.8(12) 2_666 . . 2_666 ?
C8 C8 C7 C6 -179.4(8) 2_666 . . . ?
C8 C8 C9 C10 177.2(8) 2_666 . . . ?
C8 C8 C9 C11 -1.0(13) 2_666 . . . ?
C8 C7 C6 O2 -179.6(8) . . . . ?
C8 C7 C6 N2 0.3(10) . . . . ?
C8 C9 C10 O1 -174.5(7) . . . . ?
C8 C9 C10 N2 4.0(10) . . . . ?
C8 C9 C11 C12 0.7(12) . . . . ?
N1 C5 C4 N2 176.5(8) . . . . ?
N1 C5 C4 C3 -0.7(14) . . . . ?
N1 C1 C2 C3 -1(2) . . . . ?
N3 C13 C14 C15 -0.3(16) . . . . ?
C7 C8 C9 C10 -1.8(11) . . . . ?
C7 C8 C9 C11 -180.0(7) . . . . ?
C7 C12 C11 C9 -0.5(12) 2_666 . . . ?
C9 C8 C7 C12 179.8(7) . . . 2_666 ?
C9 C8 C7 C6 -0.4(11) . . . . ?
C21 C23 C24 C19 1.7(14) . . . 2_777 ?
C10 N2 C6 O2 -177.6(8) . . . . ?
C10 N2 C6 C7 2.4(12) . . . . ?
C10 N2 C4 C5 -78.3(10) . . . . ?
C10 N2 C4 C3 98.8(11) . . . . ?
C10 C9 C11 C12 -177.5(7) . . . . ?
C18 N4 C16 C15 -70.8(12) . . . . ?
C18 N4 C16 C17 110.3(10) . . . . ?
C18 N4 C22 O3 171.2(8) . . . . ?
C18 N4 C22 C21 -8.8(12) . . . . ?
C18 C19 C20 C21 2.2(12) . . . . ?
C18 C19 C20 C20 -179.4(9) . . . 2_777 ?
C12 C7 C6 O2 0.2(12) 2_666 . . . ?
C12 C7 C6 N2 -179.9(7) 2_666 . . . ?
C6 N2 C10 O1 173.9(8) . . . . ?
C6 N2 C10 C9 -4.5(11) . . . . ?
C6 N2 C4 C5 107.4(9) . . . . ?
C6 N2 C4 C3 -75.5(11) . . . . ?
C23 C21 C20 C19 -179.5(9) . . . . ?
C23 C21 C20 C20 2.1(14) . . . 2_777 ?
C23 C21 C22 O3 2.3(14) . . . . ?
C23 C21 C22 N4 -177.7(8) . . . . ?
C5 N1 C1 C2 2.3(15) . . . . ?
C5 C4 C3 C2 1.8(18) . . . . ?
C16 N4 C18 O4 -5.0(12) . . . . ?
C16 N4 C18 C19 178.2(7) . . . . ?
C16 N4 C22 O3 0.6(12) . . . . ?
C16 N4 C22 C21 -179.4(7) . . . . ?
C16 C15 C14 C13 -0.7(16) . . . . ?
C11 C9 C10 O1 3.7(12) . . . . ?
C11 C9 C10 N2 -177.8(7) . . . . ?
C4 N2 C10 O1 0.6(11) . . . . ?
C4 N2 C10 C9 -177.8(6) . . . . ?
C4 N2 C6 O2 -4.2(12) . . . . ?
C4 N2 C6 C7 175.8(7) . . . . ?
C24 C19 C20 C21 -179.5(8) 2_777 . . . ?
C24 C19 C20 C20 -1.0(14) 2_777 . . 2_777 ?
C20 C21 C23 C24 -2.2(13) . . . . ?
C20 C21 C22 O3 -173.9(9) . . . . ?
C20 C21 C22 N4 6.1(12) . . . . ?
C13 N3 C17 C16 0.1(16) . . . . ?
C15 C16 C17 N3 -1.1(15) . . . . ?
C17 N3 C13 C14 0.6(16) . . . . ?
C17 C16 C15 C14 1.3(15) . . . . ?
C22 N4 C18 O4 -175.5(9) . . . . ?
C22 N4 C18 C19 7.6(12) . . . . ?
C22 N4 C16 C15 100.5(10) . . . . ?
C22 N4 C16 C17 -78.4(11) . . . . ?
C22 C21 C23 C24 -178.4(8) . . . . ?
C22 C21 C20 C19 -3.2(12) . . . . ?
C22 C21 C20 C20 178.3(9) . . . 2_777 ?
C1 N1 C5 C4 -1.3(13) . . . . ?
C1 C2 C3 C4 -1(2) . . . . ?
