#------------------------------------------------------------------------------
#$Date: 2024-12-06 19:45:24 +0200 (Fri, 06 Dec 2024) $
#$Revision: 296484 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/93/7249314.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_7249314
loop_
_publ_author_name
'Zhang, Yifang'
'Kang, Ming'
'Zhang, Shimin'
'Gao, Bohong'
'Hao, Pengfei'
'Shen, Junju'
'Li, Gaopeng'
'Fu, Yunlong'
_publ_section_title
;
 Effect of iodide on the electronic and photoresponsive behaviors of 1D
 naphthalenediimide-based zinc coordination polymers
;
_journal_issue                   40
_journal_name_full               CrystEngComm
_journal_page_first              5757
_journal_page_last               5766
_journal_paper_doi               10.1039/D4CE00882K
_journal_volume                  26
_journal_year                    2024
_chemical_formula_moiety         'C26 H16 I2 N4 O4 Zn'
_chemical_formula_sum            'C26 H16 I2 N4 O4 Zn'
_chemical_formula_weight         767.60
_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             2024-04-18
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2024-04-19 deposited with the CCDC.	2024-09-09 downloaded from the CCDC.
;
_cell_angle_alpha                115.380(2)
_cell_angle_beta                 93.680(3)
_cell_angle_gamma                107.830(2)
_cell_formula_units_Z            2
_cell_length_a                   10.1573(9)
_cell_length_b                   12.2406(11)
_cell_length_c                   12.6327(12)
_cell_measurement_reflns_used    6488
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.956
_cell_measurement_theta_min      2.331
_cell_volume                     1315.6(2)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0382
_diffrn_reflns_av_unetI/netI     0.0542
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            21144
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.288
_diffrn_reflns_theta_min         1.964
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    3.320
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.938
_exptl_crystal_description       block
_exptl_crystal_F_000             736
_refine_diff_density_max         1.274
_refine_diff_density_min         -0.929
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         6510
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.1023
_refine_ls_R_factor_gt           0.0465
_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)+(0.0292P)²+2.0797P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0805
_refine_ls_wR_factor_ref         0.0957
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3890
_reflns_number_total             6510
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4ce00882k2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7249314--7249317.cif.'
_cod_database_code               7249314
_shelx_shelxl_version_number     2014/7
_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.
;
_olex2_refinement_description
;
1.a Secondary CH2 refined with riding coordinates:
 C19(H19A,H19B), C6(H6A,H6B)
1.b Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C18(H18), C17(H17), C26(H26), C25(H25), C4(H4), C5(H5),
 C15(H15), C2(H2), C14(H14), C1(H1)
;
_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
I2 I 0.51672(4) 0.21667(4) 0.32831(3) 0.07077(13) Uani 1 1 d . . . . .
I1 I 0.08134(5) -0.05015(3) 0.26322(4) 0.08089(15) Uani 1 1 d . . . . .
Zn1 Zn 0.26731(6) 0.17700(5) 0.36723(5) 0.05028(15) Uani 1 1 d . . . . .
O2 O 0.0910(3) 0.7542(3) 0.4641(3) 0.0604(9) Uani 1 1 d . . . . .
O1 O 0.3456(4) 0.6493(3) 0.1804(3) 0.0667(10) Uani 1 1 d . . . . .
O4 O 0.6232(4) 0.7093(3) 1.0139(3) 0.0593(9) Uani 1 1 d . . . . .
N2 N 0.2180(4) 0.7037(3) 0.3214(3) 0.0434(9) Uani 1 1 d . . . . .
N4 N 0.3958(4) 0.6770(3) 0.9484(3) 0.0469(9) Uani 1 1 d . . . . .
N1 N 0.1921(4) 0.2938(3) 0.3214(3) 0.0475(9) Uani 1 1 d . . . . .
N3 N 0.2967(4) 0.2793(3) 0.5504(3) 0.0504(10) Uani 1 1 d . . . . .
O3 O 0.1686(4) 0.6439(3) 0.8832(4) 0.0896(13) Uani 1 1 d . . . . .
C9 C 0.4427(4) 0.9411(4) 0.4639(4) 0.0358(9) Uani 1 1 d . . . . .
C22 C 0.4787(4) 0.9357(4) 0.9914(4) 0.0404(10) Uani 1 1 d . . . . .
C10 C 0.4571(4) 0.8534(4) 0.3526(4) 0.0376(10) Uani 1 1 d . . . . .
C8 C 0.3168(4) 0.9131(4) 0.5040(4) 0.0392(10) Uani 1 1 d . . . . .
C23 C 0.3350(5) 0.8548(4) 0.9452(4) 0.0460(11) Uani 1 1 d . . . . .
C12 C 0.3058(5) 1.0004(4) 0.6128(4) 0.0449(11) Uani 1 1 d . . . . .
H12 H 0.2223 0.9814 0.6390 0.054 Uiso 1 1 calc R U . . .
C11 C 0.3384(5) 0.7289(4) 0.2765(4) 0.0463(11) Uani 1 1 d . . . . .
C16 C 0.3307(5) 0.4476(4) 0.7918(4) 0.0443(11) Uani 1 1 d . . . . .
C21 C 0.5809(5) 0.8902(4) 1.0187(4) 0.0425(10) Uani 1 1 d . . . . .
C7 C 0.1988(5) 0.7863(4) 0.4305(4) 0.0447(11) Uani 1 1 d . . . . .
C13 C 0.4187(5) 1.1173(4) 0.6842(4) 0.0460(11) Uani 1 1 d . . . . .
H13 H 0.4099 1.1761 0.7576 0.055 Uiso 1 1 calc R U . . .
C3 C 0.1289(4) 0.4732(4) 0.2695(4) 0.0433(10) Uani 1 1 d . . . . .
C18 C 0.2081(5) 0.2487(4) 0.6137(4) 0.0473(11) Uani 1 1 d . . . . .
H18 H 0.1326 0.1688 0.5759 0.057 Uiso 1 1 calc R U . . .
C20 C 0.5382(5) 0.7536(4) 0.9952(4) 0.0476(11) Uani 1 1 d . . . . .
C17 C 0.2225(5) 0.3303(4) 0.7340(4) 0.0471(11) Uani 1 1 d . . . . .
H17 H 0.1577 0.3046 0.7754 0.057 Uiso 1 1 calc R U . . .
C24 C 0.2905(5) 0.7190(4) 0.9238(4) 0.0553(12) Uani 1 1 d . . . . .
C26 C 0.2797(5) 1.0284(4) 0.9364(4) 0.0542(12) Uani 1 1 d . . . . .
H26 H 0.2125 1.0584 0.9175 0.065 Uiso 1 1 calc R U . . .
C25 C 0.2370(5) 0.9003(4) 0.9186(5) 0.0564(13) Uani 1 1 d . . . . .
H25 H 0.1417 0.8461 0.8886 0.068 Uiso 1 1 calc R U . . .
C4 C 0.1713(5) 0.3809(4) 0.1890(4) 0.0552(12) Uani 1 1 d . . . . .
H4 H 0.1794 0.3768 0.1146 0.066 Uiso 1 1 calc R U . . .
C5 C 0.2018(5) 0.2944(4) 0.2186(4) 0.0551(12) Uani 1 1 d . . . . .
H5 H 0.2311 0.2327 0.1626 0.066 Uiso 1 1 calc R U . . .
C19 C 0.3478(6) 0.5396(4) 0.9229(4) 0.0546(12) Uani 1 1 d . . . . .
H19A H 0.2578 0.5167 0.9453 0.066 Uiso 1 1 calc R U . . .
H19B H 0.4163 0.5297 0.9717 0.066 Uiso 1 1 calc R U . . .
C6 C 0.1017(5) 0.5764(4) 0.2466(4) 0.0509(12) Uani 1 1 d . . . . .
H6A H 0.0951 0.5531 0.1622 0.061 Uiso 1 1 calc R U . . .
H6B H 0.0122 0.5820 0.2656 0.061 Uiso 1 1 calc R U . . .
C15 C 0.4254(6) 0.4785(5) 0.7269(5) 0.0745(17) Uani 1 1 d . . . . .
H15 H 0.5023 0.5573 0.7632 0.089 Uiso 1 1 calc R U . . .
C2 C 0.1142(7) 0.4692(5) 0.3744(5) 0.0806(19) Uani 1 1 d . . . . .
H2 H 0.0825 0.5283 0.4309 0.097 Uiso 1 1 calc R U . . .
C14 C 0.4057(6) 0.3928(5) 0.6088(5) 0.0802(19) Uani 1 1 d . . . . .
H14 H 0.4719 0.4148 0.5668 0.096 Uiso 1 1 calc R U . . .
C1 C 0.1455(7) 0.3794(6) 0.3979(6) 0.085(2) Uani 1 1 d . . . . .
H1 H 0.1336 0.3786 0.4700 0.102 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'
I I -0.4742 1.8119 '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'
Zn Zn 0.2839 1.4301 '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
I1 Zn1 I2 119.94(2) . . ?
N1 Zn1 I2 106.04(10) . . ?
N1 Zn1 I1 108.02(10) . . ?
N3 Zn1 I2 105.21(11) . . ?
N3 Zn1 I1 116.89(10) . . ?
N3 Zn1 N1 98.10(15) . . ?
C11 N2 C7 125.7(4) . . ?
C11 N2 C6 116.6(4) . . ?
C7 N2 C6 117.7(4) . . ?
C20 N4 C24 125.1(4) . . ?
C20 N4 C19 118.8(4) . . ?
C24 N4 C19 116.1(4) . . ?
C5 N1 Zn1 120.7(3) . . ?
C5 N1 C1 117.1(4) . . ?
C1 N1 Zn1 122.0(4) . . ?
C18 N3 Zn1 125.1(3) . . ?
C18 N3 C14 116.7(4) . . ?
C14 N3 Zn1 117.8(3) . . ?
C9 C9 C10 119.0(5) 2_676 . ?
C8 C9 C9 119.7(5) . 2_676 ?
C8 C9 C10 121.4(4) . . ?
C23 C22 C22 119.0(5) . 2_677 ?
C23 C22 C21 121.3(4) . . ?
C21 C22 C22 119.7(5) . 2_677 ?
C9 C10 C11 119.6(4) . . ?
C13 C10 C9 120.3(4) 2_676 . ?
C13 C10 C11 120.1(4) 2_676 . ?
C9 C8 C7 119.5(4) . . ?
C12 C8 C9 120.1(4) . . ?
C12 C8 C7 120.3(4) . . ?
C22 C23 C24 119.2(4) . . ?
C25 C23 C22 120.5(4) . . ?
C25 C23 C24 120.3(4) . . ?
C8 C12 H12 119.8 . . ?
C8 C12 C13 120.4(4) . . ?
C13 C12 H12 119.8 . . ?
O1 C11 N2 120.7(4) . . ?
O1 C11 C10 122.3(4) . . ?
N2 C11 C10 116.9(4) . . ?
C17 C16 C19 121.4(4) . . ?
C17 C16 C15 117.2(4) . . ?
C15 C16 C19 121.4(4) . . ?
C22 C21 C20 120.0(4) . . ?
C26 C21 C22 119.8(4) 2_677 . ?
C26 C21 C20 120.1(4) 2_677 . ?
O2 C7 N2 121.1(4) . . ?
O2 C7 C8 122.2(4) . . ?
N2 C7 C8 116.7(4) . . ?
C10 C13 C12 120.6(4) 2_676 . ?
C10 C13 H13 119.7 2_676 . ?
C12 C13 H13 119.7 . . ?
C4 C3 C6 122.7(4) . . ?
C2 C3 C4 116.5(4) . . ?
C2 C3 C6 120.8(4) . . ?
N3 C18 H18 118.7 . . ?
N3 C18 C17 122.7(4) . . ?
C17 C18 H18 118.7 . . ?
O4 C20 N4 120.9(4) . . ?
O4 C20 C21 122.3(4) . . ?
N4 C20 C21 116.8(4) . . ?
C16 C17 C18 120.3(4) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
N4 C24 C23 117.6(4) . . ?
O3 C24 N4 119.9(4) . . ?
O3 C24 C23 122.5(5) . . ?
C21 C26 H26 119.7 2_677 . ?
C21 C26 C25 120.7(4) 2_677 . ?
C25 C26 H26 119.7 . . ?
C23 C25 C26 120.2(4) . . ?
C23 C25 H25 119.9 . . ?
C26 C25 H25 119.9 . . ?
C3 C4 H4 120.2 . . ?
C3 C4 C5 119.6(4) . . ?
C5 C4 H4 120.2 . . ?
N1 C5 C4 123.7(4) . . ?
N1 C5 H5 118.1 . . ?
C4 C5 H5 118.1 . . ?
N4 C19 C16 112.4(4) . . ?
N4 C19 H19A 109.1 . . ?
N4 C19 H19B 109.1 . . ?
C16 C19 H19A 109.1 . . ?
C16 C19 H19B 109.1 . . ?
H19A C19 H19B 107.9 . . ?
N2 C6 C3 110.1(3) . . ?
N2 C6 H6A 109.6 . . ?
N2 C6 H6B 109.6 . . ?
C3 C6 H6A 109.6 . . ?
C3 C6 H6B 109.6 . . ?
H6A C6 H6B 108.2 . . ?
C16 C15 H15 120.3 . . ?
C14 C15 C16 119.5(5) . . ?
C14 C15 H15 120.3 . . ?
C3 C2 H2 119.6 . . ?
C3 C2 C1 120.9(5) . . ?
C1 C2 H2 119.6 . . ?
N3 C14 C15 123.6(5) . . ?
N3 C14 H14 118.2 . . ?
C15 C14 H14 118.2 . . ?
N1 C1 C2 122.2(5) . . ?
N1 C1 H1 118.9 . . ?
C2 C1 H1 118.9 . . ?
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
I2 Zn1 2.5508(7) . ?
I1 Zn1 2.5217(7) . ?
Zn1 N1 2.070(4) . ?
Zn1 N3 2.052(4) . ?
O2 C7 1.213(5) . ?
O1 C11 1.211(5) . ?
O4 C20 1.211(5) . ?
N2 C11 1.386(6) . ?
N2 C7 1.386(5) . ?
N2 C6 1.478(5) . ?
N4 C20 1.381(6) . ?
N4 C24 1.390(6) . ?
N4 C19 1.477(5) . ?
N1 C5 1.311(6) . ?
N1 C1 1.324(6) . ?
N3 C18 1.317(6) . ?
N3 C14 1.332(6) . ?
O3 C24 1.208(6) . ?
C9 C9 1.405(8) 2_676 ?
C9 C10 1.407(5) . ?
C9 C8 1.405(6) . ?
C22 C22 1.411(8) 2_677 ?
C22 C23 1.401(6) . ?
C22 C21 1.406(6) . ?
C10 C11 1.473(6) . ?
C10 C13 1.370(6) 2_676 ?
C8 C12 1.370(6) . ?
C8 C7 1.480(6) . ?
C23 C24 1.477(6) . ?
C23 C25 1.367(6) . ?
C12 H12 0.9300 . ?
C12 C13 1.390(6) . ?
C16 C17 1.354(6) . ?
C16 C19 1.511(6) . ?
C16 C15 1.373(7) . ?
C21 C20 1.478(6) . ?
C21 C26 1.366(6) 2_677 ?
C13 C10 1.370(6) 2_676 ?
C13 H13 0.9300 . ?
C3 C4 1.365(6) . ?
C3 C6 1.508(6) . ?
C3 C2 1.362(7) . ?
C18 H18 0.9300 . ?
C18 C17 1.381(6) . ?
C17 H17 0.9300 . ?
C26 C21 1.366(6) 2_677 ?
C26 H26 0.9300 . ?
C26 C25 1.403(6) . ?
C25 H25 0.9300 . ?
C4 H4 0.9300 . ?
C4 C5 1.373(6) . ?
C5 H5 0.9300 . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C15 H15 0.9300 . ?
C15 C14 1.363(7) . ?
C2 H2 0.9300 . ?
C2 C1 1.371(7) . ?
C14 H14 0.9300 . ?
C1 H1 0.9300 . ?
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
Zn1 N1 C5 C4 -171.3(4) . . . . ?
Zn1 N1 C1 C2 170.7(5) . . . . ?
Zn1 N3 C18 C17 -170.6(3) . . . . ?
Zn1 N3 C14 C15 170.4(5) . . . . ?
N3 C18 C17 C16 0.3(7) . . . . ?
C9 C9 C10 C11 179.4(4) 2_676 . . . ?
C9 C9 C10 C13 0.2(7) 2_676 . . 2_676 ?
C9 C9 C8 C12 0.2(7) 2_676 . . . ?
C9 C9 C8 C7 -177.1(4) 2_676 . . . ?
C9 C10 C11 O1 -179.3(4) . . . . ?
C9 C10 C11 N2 -1.5(6) . . . . ?
C9 C8 C12 C13 0.1(6) . . . . ?
C9 C8 C7 O2 175.8(4) . . . . ?
C9 C8 C7 N2 -3.1(6) . . . . ?
C22 C22 C23 C24 178.3(5) 2_677 . . . ?
C22 C22 C23 C25 -0.9(8) 2_677 . . . ?
C22 C22 C21 C20 -176.9(5) 2_677 . . . ?
C22 C22 C21 C26 1.1(7) 2_677 . . 2_677 ?
C22 C23 C24 N4 -1.5(7) . . . . ?
C22 C23 C24 O3 -179.4(5) . . . . ?
C22 C23 C25 C26 0.6(7) . . . . ?
C22 C21 C20 O4 177.7(4) . . . . ?
C22 C21 C20 N4 -1.2(6) . . . . ?
C10 C9 C8 C12 -179.9(4) . . . . ?
C10 C9 C8 C7 2.8(6) . . . . ?
C8 C9 C10 C11 -0.5(6) . . . . ?
C8 C9 C10 C13 -179.7(4) . . . 2_676 ?
C8 C12 C13 C10 -0.4(7) . . . 2_676 ?
C23 C22 C21 C20 1.9(6) . . . . ?
C23 C22 C21 C26 179.9(4) . . . 2_677 ?
C12 C8 C7 O2 -1.5(7) . . . . ?
C12 C8 C7 N2 179.7(4) . . . . ?
C11 N2 C7 O2 -177.8(4) . . . . ?
C11 N2 C7 C8 1.1(6) . . . . ?
C11 N2 C6 C3 83.6(5) . . . . ?
C16 C15 C14 N3 1.2(10) . . . . ?
C21 C22 C23 C24 -0.6(7) . . . . ?
C21 C22 C23 C25 -179.7(4) . . . . ?
C21 C26 C25 C23 -0.5(8) 2_677 . . . ?
C7 N2 C11 O1 179.0(4) . . . . ?
C7 N2 C11 C10 1.1(6) . . . . ?
C7 N2 C6 C3 -95.2(5) . . . . ?
C7 C8 C12 C13 177.3(4) . . . . ?
C13 C10 C11 O1 -0.1(7) 2_676 . . . ?
C13 C10 C11 N2 177.7(4) 2_676 . . . ?
C3 C4 C5 N1 0.4(8) . . . . ?
C3 C2 C1 N1 0.6(11) . . . . ?
C18 N3 C14 C15 -2.7(9) . . . . ?
C20 N4 C24 O3 -179.7(5) . . . . ?
C20 N4 C24 C23 2.4(7) . . . . ?
C20 N4 C19 C16 -98.3(5) . . . . ?
C17 C16 C19 N4 -141.6(4) . . . . ?
C17 C16 C15 C14 1.2(8) . . . . ?
C24 N4 C20 O4 -180.0(4) . . . . ?
C24 N4 C20 C21 -1.1(6) . . . . ?
C24 N4 C19 C16 82.5(5) . . . . ?
C24 C23 C25 C26 -178.6(4) . . . . ?
C26 C21 C20 O4 -0.3(7) 2_677 . . . ?
C26 C21 C20 N4 -179.2(4) 2_677 . . . ?
C25 C23 C24 N4 177.7(4) . . . . ?
C25 C23 C24 O3 -0.2(8) . . . . ?
C4 C3 C6 N2 -106.3(5) . . . . ?
C4 C3 C2 C1 2.2(9) . . . . ?
C5 N1 C1 C2 -2.8(9) . . . . ?
C19 N4 C20 O4 0.9(6) . . . . ?
C19 N4 C20 C21 179.8(4) . . . . ?
C19 N4 C24 O3 -0.5(7) . . . . ?
C19 N4 C24 C23 -178.4(4) . . . . ?
C19 C16 C17 C18 179.1(4) . . . . ?
C19 C16 C15 C14 -179.8(5) . . . . ?
C6 N2 C11 O1 0.2(6) . . . . ?
C6 N2 C11 C10 -177.6(4) . . . . ?
C6 N2 C7 O2 1.0(6) . . . . ?
C6 N2 C7 C8 179.8(4) . . . . ?
C6 C3 C4 C5 176.4(4) . . . . ?
C6 C3 C2 C1 -176.8(6) . . . . ?
C15 C16 C17 C18 -1.9(7) . . . . ?
C15 C16 C19 N4 39.4(7) . . . . ?
C2 C3 C4 C5 -2.6(7) . . . . ?
C2 C3 C6 N2 72.6(6) . . . . ?
C14 N3 C18 C17 1.9(7) . . . . ?
C1 N1 C5 C4 2.4(8) . . . . ?
