#------------------------------------------------------------------------------
#$Date: 2021-03-25 02:47:54 +0200 (Thu, 25 Mar 2021) $
#$Revision: 263296 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/12/1561232.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_1561232
loop_
_publ_author_name
'Tian, Li'
'Xu, Xuebin'
'Liu, Meiying'
'Liu, Zixin'
'Liu, Zhiliang'
_publ_section_title
;
 Significantly Enhancing the Lithium Ionic Conductivity of Metal--Organic
 Frameworks via a Postsynthetic Modification Strategy
;
_journal_name_full               Langmuir
_journal_paper_doi               10.1021/acs.langmuir.1c00156
_journal_year                    2021
_chemical_formula_moiety         'C25 H16 N2 O6 Zn, H2 O'
_chemical_formula_sum            'C25 H18 N2 O7 Zn'
_chemical_formula_weight         523.79
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.030(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.7505(5)
_cell_length_b                   15.3185(6)
_cell_length_c                   12.9694(7)
_cell_measurement_reflns_used    2879
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      70.1790
_cell_measurement_theta_min      4.6210
_cell_volume                     2206.91(19)
_computing_cell_refinement       'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0402
_diffrn_reflns_av_sigmaI/netI    0.0558
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8964
_diffrn_reflns_theta_full        67.25
_diffrn_reflns_theta_max         67.25
_diffrn_reflns_theta_min         3.98
_exptl_absorpt_coefficient_mu    1.998
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.75732
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.570
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       lump
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          1.0
_exptl_crystal_size_mid          0.8
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.455
_refine_diff_density_min         -0.401
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         3950
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0635
_refine_ls_R_factor_gt           0.0462
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0573P)²+0.6589P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1124
_refine_ls_wR_factor_ref         0.1253
_reflns_number_gt                3047
_reflns_number_total             3950
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            la1c00156_si_002.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_space_group_crystal_system' value 'Monoclinic' was
changed to 'monoclinic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_cell_volume        2206.91(17)
_cod_original_sg_symbol_Hall     '-P 2ybc '
_cod_original_sg_symbol_H-M      'P2(1)/c  '
_cod_database_code               1561232
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 1.37950(4) 0.45564(3) 0.47266(4) 0.02623(15) Uani 1 1 d . . .
N1 N 1.2022(2) 0.4410(2) 0.3865(2) 0.0325(7) Uani 1 1 d . . .
N2 N 0.1915(3) 0.3862(2) -0.0287(3) 0.0486(9) Uani 1 1 d . . .
O1 O 1.5836(2) 0.87110(17) 0.89327(19) 0.0357(6) Uani 1 1 d . . .
O2 O 1.4180(2) 0.94888(17) 0.8669(2) 0.0419(7) Uani 1 1 d . . .
O3 O 1.0362(2) 0.8701(2) 0.6137(3) 0.0704(11) Uani 1 1 d . . .
H100 H 0.9635 0.8747 0.5830 0.106 Uiso 1 1 calc R . .
O4 O 1.0138(2) 0.7538(2) 0.5083(3) 0.0729(11) Uani 1 1 d . . .
O5 O 1.54293(19) 0.63001(15) 0.6028(2) 0.0315(6) Uani 1 1 d . . .
O6 O 1.3634(2) 0.56290(16) 0.5575(2) 0.0355(6) Uani 1 1 d . . .
O7 O 0.7956(3) 0.8007(3) 0.8437(3) 0.0897(14) Uani 1 1 d . . .
H7C H 0.7402 0.8200 0.8664 0.108 Uiso 1 1 d R . .
H7D H 0.8557 0.7867 0.8985 0.108 Uiso 1 1 d R . .
C1 C 1.4548(3) 0.7582(2) 0.7162(3) 0.0263(7) Uani 1 1 d . . .
H1 H 1.5376 0.7496 0.7438 0.032 Uiso 1 1 calc R . .
C2 C 1.4028(3) 0.8285(2) 0.7525(3) 0.0269(7) Uani 1 1 d . . .
C3 C 1.2794(3) 0.8431(2) 0.7079(3) 0.0315(8) Uani 1 1 d . . .
H3 H 1.2448 0.8906 0.7310 0.038 Uiso 1 1 calc R . .
C4 C 1.2078(3) 0.7871(2) 0.6291(3) 0.0308(8) Uani 1 1 d . . .
C5 C 1.2596(3) 0.7152(2) 0.5969(3) 0.0315(8) Uani 1 1 d . . .
H5 H 1.2112 0.6761 0.5467 0.038 Uiso 1 1 calc R . .
C6 C 1.3830(3) 0.7010(2) 0.6386(3) 0.0253(7) Uani 1 1 d . . .
C7 C 1.0755(3) 0.8019(3) 0.5784(3) 0.0388(9) Uani 1 1 d . . .
C8 C 1.4741(3) 0.8869(2) 0.8432(3) 0.0296(8) Uani 1 1 d . . .
C9 C 1.4344(3) 0.6248(2) 0.5972(3) 0.0264(7) Uani 1 1 d . . .
C10 C 1.1228(4) 0.4917(4) 0.4081(4) 0.0792(19) Uani 1 1 d . . .
H10 H 1.1503 0.5320 0.4645 0.095 Uiso 1 1 calc R . .
C11 C 1.0011(4) 0.4887(4) 0.3521(4) 0.082(2) Uani 1 1 d . . .
H11 H 0.9496 0.5270 0.3707 0.098 Uiso 1 1 calc R . .
C12 C 0.9553(3) 0.4303(2) 0.2699(3) 0.0335(8) Uani 1 1 d . . .
C13 C 1.0389(3) 0.3787(3) 0.2445(4) 0.0501(11) Uani 1 1 d . . .
H13 H 1.0140 0.3388 0.1876 0.060 Uiso 1 1 calc R . .
C14 C 1.1599(3) 0.3867(3) 0.3041(3) 0.0464(11) Uani 1 1 d . . .
H14 H 1.2144 0.3517 0.2848 0.056 Uiso 1 1 calc R . .
C15 C 0.8245(3) 0.4236(3) 0.2130(3) 0.0329(8) Uani 1 1 d . . .
C16 C 0.7455(3) 0.4850(3) 0.2288(3) 0.0437(10) Uani 1 1 d . . .
H16 H 0.7763 0.5330 0.2730 0.052 Uiso 1 1 calc R . .
C17 C 0.6230(3) 0.4772(3) 0.1810(3) 0.0424(10) Uani 1 1 d . . .
H17 H 0.5728 0.5197 0.1941 0.051 Uiso 1 1 calc R . .
C18 C 0.5732(3) 0.4077(2) 0.1143(3) 0.0314(8) Uani 1 1 d . . .
C19 C 0.6513(3) 0.3459(3) 0.0966(3) 0.0464(10) Uani 1 1 d . . .
H19 H 0.6203 0.2982 0.0518 0.056 Uiso 1 1 calc R . .
C20 C 0.7743(3) 0.3543(3) 0.1445(3) 0.0456(10) Uani 1 1 d . . .
H20 H 0.8247 0.3124 0.1306 0.055 Uiso 1 1 calc R . .
C21 C 0.4403(3) 0.3985(2) 0.0655(3) 0.0330(8) Uani 1 1 d . . .
C22 C 0.3624(4) 0.4471(4) 0.1003(4) 0.0654(15) Uani 1 1 d . . .
H22 H 0.3926 0.4853 0.1586 0.079 Uiso 1 1 calc R . .
C23 C 0.2398(4) 0.4405(4) 0.0504(4) 0.0662(15) Uani 1 1 d . . .
H23 H 0.1896 0.4763 0.0743 0.079 Uiso 1 1 calc R . .
C24 C 0.2654(4) 0.3362(3) -0.0603(4) 0.0656(15) Uani 1 1 d . . .
H24 H 0.2320 0.2961 -0.1158 0.079 Uiso 1 1 calc R . .
C25 C 0.3879(4) 0.3398(3) -0.0164(4) 0.0569(13) Uani 1 1 d . . .
H25 H 0.4356 0.3027 -0.0417 0.068 Uiso 1 1 calc R . .
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'
Zn Zn -1.5491 0.6778 '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
O6 Zn1 O5 158.11(10) . 3_866 ?
O6 Zn1 N1 97.37(11) . . ?
O5 Zn1 N1 101.85(11) 3_866 . ?
O6 Zn1 O1 94.67(11) . 2_846 ?
O5 Zn1 O1 89.82(10) 3_866 2_846 ?
N1 Zn1 O1 106.60(11) . 2_846 ?
O6 Zn1 O2 82.56(11) . 4_575 ?
O5 Zn1 O2 84.89(11) 3_866 4_575 ?
N1 Zn1 O2 96.64(11) . 4_575 ?
O1 Zn1 O2 156.76(10) 2_846 4_575 ?
O6 Zn1 Zn1 75.66(7) . 3_866 ?
O5 Zn1 Zn1 82.48(7) 3_866 3_866 ?
N1 Zn1 Zn1 153.83(9) . 3_866 ?
O1 Zn1 Zn1 99.16(7) 2_846 3_866 ?
O2 Zn1 Zn1 57.73(7) 4_575 3_866 ?
C10 N1 C14 116.2(3) . . ?
C10 N1 Zn1 119.3(3) . . ?
C14 N1 Zn1 124.4(3) . . ?
C23 N2 C24 117.1(4) . . ?
C8 O1 Zn1 102.0(2) . 2_856 ?
C8 O2 Zn1 155.6(2) . 4_576 ?
C7 O3 H100 109.5 . . ?
C9 O5 Zn1 122.6(2) . 3_866 ?
C9 O6 Zn1 132.0(2) . . ?
H7C O7 H7D 108.6 . . ?
C6 C1 C2 120.1(3) . . ?
C6 C1 H1 119.9 . . ?
C2 C1 H1 119.9 . . ?
C1 C2 C3 119.7(3) . . ?
C1 C2 C8 122.2(3) . . ?
C3 C2 C8 118.1(3) . . ?
C4 C3 C2 120.4(3) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C5 C4 C3 119.4(3) . . ?
C5 C4 C7 118.9(3) . . ?
C3 C4 C7 121.7(3) . . ?
C4 C5 C6 120.8(3) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C5 C6 C1 119.5(3) . . ?
C5 C6 C9 118.4(3) . . ?
C1 C6 C9 122.1(3) . . ?
O4 C7 O3 124.4(3) . . ?
O4 C7 C4 121.4(4) . . ?
O3 C7 C4 114.1(3) . . ?
O2 C8 O1 123.4(3) . . ?
O2 C8 C2 116.2(3) . . ?
O1 C8 C2 120.3(3) . . ?
O5 C9 O6 126.7(3) . . ?
O5 C9 C6 116.8(3) . . ?
O6 C9 C6 116.4(3) . . ?
N1 C10 C11 123.7(4) . . ?
N1 C10 H10 118.2 . . ?
C11 C10 H10 118.2 . . ?
C12 C11 C10 120.9(4) . . ?
C12 C11 H11 119.5 . . ?
C10 C11 H11 119.5 . . ?
C11 C12 C13 115.6(3) . . ?
C11 C12 C15 121.3(4) . . ?
C13 C12 C15 123.1(3) . . ?
C12 C13 C14 119.8(4) . . ?
C12 C13 H13 120.1 . . ?
C14 C13 H13 120.1 . . ?
N1 C14 C13 123.7(4) . . ?
N1 C14 H14 118.1 . . ?
C13 C14 H14 118.1 . . ?
C16 C15 C20 116.7(3) . . ?
C16 C15 C12 121.2(3) . . ?
C20 C15 C12 122.0(3) . . ?
C17 C16 C15 122.0(4) . . ?
C17 C16 H16 119.0 . . ?
C15 C16 H16 119.0 . . ?
C16 C17 C18 121.2(4) . . ?
C16 C17 H17 119.4 . . ?
C18 C17 H17 119.4 . . ?
C17 C18 C19 117.6(3) . . ?
C17 C18 C21 120.8(3) . . ?
C19 C18 C21 121.5(3) . . ?
C20 C19 C18 120.9(4) . . ?
C20 C19 H19 119.6 . . ?
C18 C19 H19 119.6 . . ?
C19 C20 C15 121.6(4) . . ?
C19 C20 H20 119.2 . . ?
C15 C20 H20 119.2 . . ?
C22 C21 C25 115.6(4) . . ?
C22 C21 C18 122.1(3) . . ?
C25 C21 C18 122.3(4) . . ?
C21 C22 C23 121.0(4) . . ?
C21 C22 H22 119.5 . . ?
C23 C22 H22 119.5 . . ?
N2 C23 C22 122.6(4) . . ?
N2 C23 H23 118.7 . . ?
C22 C23 H23 118.7 . . ?
N2 C24 C25 123.9(4) . . ?
N2 C24 H24 118.0 . . ?
C25 C24 H24 118.0 . . ?
C24 C25 C21 119.6(4) . . ?
C24 C25 H25 120.2 . . ?
C21 C25 H25 120.2 . . ?
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
Zn1 O6 2.020(2) . ?
Zn1 O5 2.023(2) 3_866 ?
Zn1 N1 2.030(3) . ?
Zn1 O1 2.097(2) 2_846 ?
Zn1 O2 2.151(3) 4_575 ?
Zn1 Zn1 3.0100(8) 3_866 ?
N1 C10 1.313(5) . ?
N1 C14 1.318(5) . ?
N2 C23 1.299(6) . ?
N2 C24 1.318(6) . ?
O1 C8 1.262(4) . ?
O1 Zn1 2.097(2) 2_856 ?
O2 C8 1.250(4) . ?
O2 Zn1 2.151(3) 4_576 ?
O3 C7 1.287(5) . ?
O3 H100 0.8200 . ?
O4 C7 1.211(5) . ?
O5 C9 1.256(4) . ?
O5 Zn1 2.023(2) 3_866 ?
O6 C9 1.257(4) . ?
O7 H7C 0.8500 . ?
O7 H7D 0.8500 . ?
C1 C6 1.392(5) . ?
C1 C2 1.393(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.393(5) . ?
C2 C8 1.498(5) . ?
C3 C4 1.388(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.387(5) . ?
C4 C7 1.494(4) . ?
C5 C6 1.390(4) . ?
C5 H5 0.9300 . ?
C6 C9 1.493(4) . ?
C10 C11 1.377(5) . ?
C10 H10 0.9300 . ?
C11 C12 1.360(6) . ?
C11 H11 0.9300 . ?
C12 C13 1.382(5) . ?
C12 C15 1.477(4) . ?
C13 C14 1.384(5) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 C16 1.382(5) . ?
C15 C20 1.386(5) . ?
C16 C17 1.374(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.377(5) . ?
C17 H17 0.9300 . ?
C18 C19 1.389(5) . ?
C18 C21 1.488(4) . ?
C19 C20 1.380(5) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 C22 1.366(6) . ?
C21 C25 1.374(5) . ?
C22 C23 1.376(5) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
C24 C25 1.366(5) . ?
C24 H24 0.9300 . ?
C25 H25 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
O6 Zn1 N1 C10 -5.9(4) . . . . ?
O5 Zn1 N1 C10 -175.4(4) 3_866 . . . ?
O1 Zn1 N1 C10 91.2(4) 2_846 . . . ?
O2 Zn1 N1 C10 -89.2(4) 4_575 . . . ?
Zn1 Zn1 N1 C10 -78.3(5) 3_866 . . . ?
O6 Zn1 N1 C14 169.7(3) . . . . ?
O5 Zn1 N1 C14 0.3(4) 3_866 . . . ?
O1 Zn1 N1 C14 -93.1(3) 2_846 . . . ?
O2 Zn1 N1 C14 86.4(3) 4_575 . . . ?
Zn1 Zn1 N1 C14 97.4(4) 3_866 . . . ?
O5 Zn1 O6 C9 -0.2(5) 3_866 . . . ?
N1 Zn1 O6 C9 -151.5(3) . . . . ?
O1 Zn1 O6 C9 101.0(3) 2_846 . . . ?
O2 Zn1 O6 C9 -55.8(3) 4_575 . . . ?
Zn1 Zn1 O6 C9 2.8(3) 3_866 . . . ?
C6 C1 C2 C3 -2.4(5) . . . . ?
C6 C1 C2 C8 174.1(3) . . . . ?
C1 C2 C3 C4 1.3(5) . . . . ?
C8 C2 C3 C4 -175.4(3) . . . . ?
C2 C3 C4 C5 1.5(6) . . . . ?
C2 C3 C4 C7 -179.0(3) . . . . ?
C3 C4 C5 C6 -3.1(6) . . . . ?
C7 C4 C5 C6 177.4(3) . . . . ?
C4 C5 C6 C1 1.9(5) . . . . ?
C4 C5 C6 C9 -177.3(3) . . . . ?
C2 C1 C6 C5 0.8(5) . . . . ?
C2 C1 C6 C9 180.0(3) . . . . ?
C5 C4 C7 O4 -1.8(6) . . . . ?
C3 C4 C7 O4 178.6(4) . . . . ?
C5 C4 C7 O3 180.0(4) . . . . ?
C3 C4 C7 O3 0.4(6) . . . . ?
Zn1 O2 C8 O1 -27.0(9) 4_576 . . . ?
Zn1 O2 C8 C2 150.9(5) 4_576 . . . ?
Zn1 O1 C8 O2 9.7(4) 2_856 . . . ?
Zn1 O1 C8 C2 -168.2(3) 2_856 . . . ?
C1 C2 C8 O2 178.5(3) . . . . ?
C3 C2 C8 O2 -5.0(5) . . . . ?
C1 C2 C8 O1 -3.4(5) . . . . ?
C3 C2 C8 O1 173.1(3) . . . . ?
Zn1 O5 C9 O6 9.2(5) 3_866 . . . ?
Zn1 O5 C9 C6 -168.8(2) 3_866 . . . ?
Zn1 O6 C9 O5 -8.2(5) . . . . ?
Zn1 O6 C9 C6 169.8(2) . . . . ?
C5 C6 C9 O5 154.6(3) . . . . ?
C1 C6 C9 O5 -24.6(5) . . . . ?
C5 C6 C9 O6 -23.7(5) . . . . ?
C1 C6 C9 O6 157.2(3) . . . . ?
C14 N1 C10 C11 1.9(9) . . . . ?
Zn1 N1 C10 C11 177.9(5) . . . . ?
N1 C10 C11 C12 0.9(10) . . . . ?
C10 C11 C12 C13 -2.9(9) . . . . ?
C10 C11 C12 C15 177.0(5) . . . . ?
C11 C12 C13 C14 2.1(7) . . . . ?
C15 C12 C13 C14 -177.7(4) . . . . ?
C10 N1 C14 C13 -2.7(7) . . . . ?
Zn1 N1 C14 C13 -178.5(3) . . . . ?
C12 C13 C14 N1 0.7(7) . . . . ?
C11 C12 C15 C16 10.4(7) . . . . ?
C13 C12 C15 C16 -169.8(4) . . . . ?
C11 C12 C15 C20 -167.3(5) . . . . ?
C13 C12 C15 C20 12.6(6) . . . . ?
C20 C15 C16 C17 1.3(6) . . . . ?
C12 C15 C16 C17 -176.4(4) . . . . ?
C15 C16 C17 C18 -0.5(7) . . . . ?
C16 C17 C18 C19 -0.2(6) . . . . ?
C16 C17 C18 C21 178.2(4) . . . . ?
C17 C18 C19 C20 0.0(6) . . . . ?
C21 C18 C19 C20 -178.4(4) . . . . ?
C18 C19 C20 C15 0.9(7) . . . . ?
C16 C15 C20 C19 -1.5(6) . . . . ?
C12 C15 C20 C19 176.2(4) . . . . ?
C17 C18 C21 C22 -13.1(6) . . . . ?
C19 C18 C21 C22 165.3(5) . . . . ?
C17 C18 C21 C25 167.9(4) . . . . ?
C19 C18 C21 C25 -13.7(6) . . . . ?
C25 C21 C22 C23 -4.0(8) . . . . ?
C18 C21 C22 C23 176.9(5) . . . . ?
C24 N2 C23 C22 0.2(8) . . . . ?
C21 C22 C23 N2 2.6(9) . . . . ?
C23 N2 C24 C25 -1.4(8) . . . . ?
N2 C24 C25 C21 -0.3(8) . . . . ?
C22 C21 C25 C24 2.9(7) . . . . ?
C18 C21 C25 C24 -178.0(4) . . . . ?
