#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:37:28 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180346 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/15/7201571.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_7201571
loop_
_publ_author_name
'Wang, Jun-Jie'
'Liu, Chun-Sen'
'Hu, Tong-Liang'
'Chang, Ze'
'Li, Cai-Yun'
'Yan, Li-Fen'
'Chen, Pei-Quan'
'Bu, Xian-He'
'Wu, Qiang'
'Zhao, Li-Juan'
'Wang, Zhe'
'Zhang, Xin-Zheng'
_publ_section_title
;
 Zinc(ii) coordination architectures with two bulky anthracene-based
 carboxylic ligands: crystal structures and luminescent properties
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              681
_journal_paper_doi               10.1039/b710209g
_journal_volume                  10
_journal_year                    2008
_chemical_formula_sum            'C24 H17 N6 O2 Zn'
_chemical_formula_weight         486.81
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                112.048(3)
_cell_angle_beta                 95.725(3)
_cell_angle_gamma                110.766(3)
_cell_formula_units_Z            2
_cell_length_a                   9.5311(19)
_cell_length_b                   10.770(2)
_cell_length_c                   12.445(2)
_cell_measurement_reflns_used    2515
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      26.34
_cell_measurement_theta_min      2.48
_cell_volume                     1066.4(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      294(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0195
_diffrn_reflns_av_sigmaI/netI    0.0419
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            5334
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.83
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.187
_exptl_absorpt_correction_T_max  0.8805
_exptl_absorpt_correction_T_min  0.7557
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.516
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             498
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.461
_refine_diff_density_min         -0.372
_refine_diff_density_rms         0.073
_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     298
_refine_ls_number_reflns         3706
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0624
_refine_ls_R_factor_gt           0.0432
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0555P)²+1.0116P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1061
_refine_ls_wR_factor_ref         0.1204
_reflns_number_gt                2952
_reflns_number_total             3706
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            b710209g.txt
_cod_data_source_block           7
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1066.4(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7201571
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.62384(5) 0.70043(5) 0.63591(4) 0.03659(17) Uani 1 1 d . . .
C1 C 0.1763(5) 0.4582(4) 0.4031(4) 0.0448(10) Uani 1 1 d . . .
C2 C 0.1630(6) 0.5880(5) 0.4632(5) 0.0673(14) Uani 1 1 d . . .
H2A H 0.0786 0.6093 0.4491 0.081 Uiso 1 1 calc R . .
C3 C 0.3038(6) 0.6793(5) 0.5493(5) 0.0652(14) Uani 1 1 d . . .
H3A H 0.3302 0.7756 0.6057 0.078 Uiso 1 1 calc R . .
C9 C 0.6030(5) 1.1163(5) 0.8313(4) 0.0544(11) Uani 1 1 d . . .
H9A H 0.5785 1.1815 0.8914 0.065 Uiso 1 1 calc R . .
C10 C 0.6525(6) 1.1351(5) 0.7354(4) 0.0583(12) Uani 1 1 d . . .
H10A H 0.6677 1.2146 0.7175 0.070 Uiso 1 1 calc R . .
C11 C 0.6746(5) 1.0089(4) 0.6711(4) 0.0434(9) Uani 1 1 d . . .
C12 C 0.7205(5) 0.9567(5) 0.5593(4) 0.0483(10) Uani 1 1 d . . .
C13 C 0.7731(8) 1.0442(6) 0.5020(5) 0.0806(17) Uani 1 1 d . . .
H13A H 0.7833 1.1411 0.5341 0.097 Uiso 1 1 calc R . .
C14 C 0.8105(9) 0.9849(7) 0.3957(6) 0.100(2) Uani 1 1 d . . .
H14A H 0.8472 1.0419 0.3554 0.120 Uiso 1 1 calc R . .
C15 C 0.7934(8) 0.8430(7) 0.3506(5) 0.0888(19) Uani 1 1 d . . .
H15A H 0.8160 0.8009 0.2782 0.107 Uiso 1 1 calc R . .
C16 C 0.7428(7) 0.7630(6) 0.4125(4) 0.0698(14) Uani 1 1 d . . .
H16A H 0.7322 0.6660 0.3812 0.084 Uiso 1 1 calc R . .
C17 C 0.5386(4) 0.6829(4) 0.8706(3) 0.0339(8) Uani 1 1 d . . .
C18 C 0.5188(4) 0.5864(4) 0.9362(3) 0.0294(7) Uani 1 1 d . . .
C19 C 0.6500(4) 0.5806(4) 0.9930(3) 0.0293(7) Uani 1 1 d . . .
C20 C 0.8041(4) 0.6600(4) 0.9894(4) 0.0418(9) Uani 1 1 d . . .
H20A H 0.8185 0.7146 0.9453 0.050 Uiso 1 1 calc R . .
C21 C 0.9288(5) 0.6576(5) 1.0482(4) 0.0516(11) Uani 1 1 d . . .
H21A H 1.0279 0.7110 1.0450 0.062 Uiso 1 1 calc R . .
C22 C 0.3705(4) 0.5065(4) 0.9421(3) 0.0296(7) Uani 1 1 d . . .
C23 C 0.2339(4) 0.5059(4) 0.8820(3) 0.0416(9) Uani 1 1 d . . .
H23A H 0.2442 0.5622 0.8396 0.050 Uiso 1 1 calc R . .
C24 C 0.0898(5) 0.4251(5) 0.8855(4) 0.0523(11) Uani 1 1 d . . .
H24A H 0.0027 0.4245 0.8438 0.063 Uiso 1 1 calc R . .
N1 N 0.3960(4) 0.6107(3) 0.5406(3) 0.0386(7) Uani 1 1 d . . .
N2 N 0.3175(4) 0.4728(3) 0.4494(3) 0.0386(7) Uani 1 1 d . . .
N4 N 0.5973(4) 0.9864(4) 0.8209(3) 0.0461(8) Uani 1 1 d . . .
H4B H 0.5695 0.9507 0.8706 0.055 Uiso 1 1 calc R . .
N5 N 0.6395(4) 0.9185(3) 0.7252(3) 0.0391(7) Uani 1 1 d . . .
N6 N 0.7075(4) 0.8178(4) 0.5167(3) 0.0483(8) Uani 1 1 d . . .
O1 O 0.5676(4) 0.6365(3) 0.7723(2) 0.0513(7) Uani 1 1 d . . .
O2 O 0.5246(4) 0.8005(3) 0.9222(3) 0.0520(7) Uani 1 1 d . . .
C4 C 0.0272(5) 0.0827(5) 0.1748(4) 0.0538(11) Uani 1 1 d . . .
H4A H 0.0626 0.0091 0.1493 0.065 Uiso 1 1 calc R . .
C5 C -0.1213(5) 0.0512(5) 0.1168(4) 0.0628(13) Uani 1 1 d . . .
H5A H -0.1840 -0.0411 0.0533 0.075 Uiso 1 1 calc R . .
C6 C -0.1732(6) 0.1574(6) 0.1543(4) 0.0636(13) Uani 1 1 d . . .
H6A H -0.2728 0.1388 0.1170 0.076 Uiso 1 1 calc R . .
C7 C -0.0781(5) 0.2931(5) 0.2479(4) 0.0572(12) Uani 1 1 d . . .
H7A H -0.1122 0.3676 0.2743 0.069 Uiso 1 1 calc R . .
C8 C 0.0670(5) 0.3170(4) 0.3014(3) 0.0403(9) Uani 1 1 d . . .
N3 N 0.1220(4) 0.2137(4) 0.2654(3) 0.0406(8) Uani 1 1 d . . .
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'
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
N1 Zn1 N2 100.56(12) . 2_666 ?
N1 Zn1 O1 93.79(13) . . ?
N2 Zn1 O1 93.59(12) 2_666 . ?
N1 Zn1 N5 94.54(12) . . ?
N2 Zn1 N5 161.26(12) 2_666 . ?
O1 Zn1 N5 96.44(11) . . ?
N1 Zn1 N3 176.32(11) . 2_666 ?
N2 Zn1 N3 75.77(12) 2_666 2_666 ?
O1 Zn1 N3 86.42(12) . 2_666 ?
N5 Zn1 N3 89.08(12) . 2_666 ?
N1 Zn1 N6 91.81(13) . . ?
N2 Zn1 N6 95.12(12) 2_666 . ?
O1 Zn1 N6 168.61(12) . . ?
N5 Zn1 N6 73.22(12) . . ?
N3 Zn1 N6 88.63(12) 2_666 . ?
N2 C1 C2 109.6(4) . . ?
N2 C1 C8 118.9(3) . . ?
C2 C1 C8 131.5(4) . . ?
C1 C2 C3 104.1(4) . . ?
C1 C2 H2A 128.0 . . ?
C3 C2 H2A 128.0 . . ?
N1 C3 C2 110.5(4) . . ?
N1 C3 H3A 124.7 . . ?
C2 C3 H3A 124.7 . . ?
N4 C9 C10 106.8(4) . . ?
N4 C9 H9A 126.6 . . ?
C10 C9 H9A 126.6 . . ?
C9 C10 C11 105.1(4) . . ?
C9 C10 H10A 127.4 . . ?
C11 C10 H10A 127.4 . . ?
N5 C11 C10 109.8(4) . . ?
N5 C11 C12 116.9(3) . . ?
C10 C11 C12 133.3(4) . . ?
N6 C12 C13 122.2(4) . . ?
N6 C12 C11 115.4(3) . . ?
C13 C12 C11 122.3(4) . . ?
C12 C13 C14 118.5(5) . . ?
C12 C13 H13A 120.8 . . ?
C14 C13 H13A 120.8 . . ?
C15 C14 C13 119.5(5) . . ?
C15 C14 H14A 120.3 . . ?
C13 C14 H14A 120.3 . . ?
C14 C15 C16 119.2(5) . . ?
C14 C15 H15A 120.4 . . ?
C16 C15 H15A 120.4 . . ?
N6 C16 C15 122.9(5) . . ?
N6 C16 H16A 118.6 . . ?
C15 C16 H16A 118.6 . . ?
O1 C17 O2 127.2(3) . . ?
O1 C17 C18 116.3(3) . . ?
O2 C17 C18 116.4(3) . . ?
C22 C18 C19 120.4(3) . . ?
C22 C18 C17 119.6(3) . . ?
C19 C18 C17 120.0(3) . . ?
C18 C19 C20 122.5(3) . . ?
C18 C19 C22 119.1(3) . 2_667 ?
C20 C19 C22 118.5(3) . 2_667 ?
C21 C20 C19 121.5(4) . . ?
C21 C20 H20A 119.2 . . ?
C19 C20 H20A 119.2 . . ?
C20 C21 C24 120.4(4) . 2_667 ?
C20 C21 H21A 119.8 . . ?
C24 C21 H21A 119.8 2_667 . ?
C18 C22 C19 120.6(3) . 2_667 ?
C18 C22 C23 121.9(3) . . ?
C19 C22 C23 117.6(3) 2_667 . ?
C24 C23 C22 121.6(4) . . ?
C24 C23 H23A 119.2 . . ?
C22 C23 H23A 119.2 . . ?
C23 C24 C21 120.4(4) . 2_667 ?
C23 C24 H24A 119.8 . . ?
C21 C24 H24A 119.8 2_667 . ?
C3 N1 N2 107.8(3) . . ?
C3 N1 Zn1 126.8(3) . . ?
N2 N1 Zn1 125.2(2) . . ?
C1 N2 N1 108.0(3) . . ?
C1 N2 Zn1 117.5(3) . 2_666 ?
N1 N2 Zn1 134.2(2) . 2_666 ?
N5 N4 C9 112.4(3) . . ?
N5 N4 H4B 123.8 . . ?
C9 N4 H4B 123.8 . . ?
N4 N5 C11 105.9(3) . . ?
N4 N5 Zn1 133.5(2) . . ?
C11 N5 Zn1 119.6(3) . . ?
C12 N6 C16 117.8(4) . . ?
C12 N6 Zn1 114.4(3) . . ?
C16 N6 Zn1 127.8(3) . . ?
C17 O1 Zn1 140.8(3) . . ?
N3 C4 C5 123.0(4) . . ?
N3 C4 H4A 118.5 . . ?
C5 C4 H4A 118.5 . . ?
C6 C5 C4 118.5(4) . . ?
C6 C5 H5A 120.7 . . ?
C4 C5 H5A 120.7 . . ?
C5 C6 C7 119.6(4) . . ?
C5 C6 H6A 120.2 . . ?
C7 C6 H6A 120.2 . . ?
C8 C7 C6 119.0(4) . . ?
C8 C7 H7A 120.5 . . ?
C6 C7 H7A 120.5 . . ?
N3 C8 C7 122.7(4) . . ?
N3 C8 C1 114.5(3) . . ?
C7 C8 C1 122.8(4) . . ?
C4 N3 C8 117.2(4) . . ?
C4 N3 Zn1 129.8(3) . 2_666 ?
C8 N3 Zn1 112.8(2) . 2_666 ?
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 N1 2.048(3) . ?
Zn1 N2 2.072(3) 2_666 ?
Zn1 O1 2.107(3) . ?
Zn1 N5 2.129(3) . ?
Zn1 N3 2.279(3) 2_666 ?
Zn1 N6 2.316(3) . ?
C1 N2 1.340(5) . ?
C1 C2 1.374(6) . ?
C1 C8 1.472(6) . ?
C2 C3 1.380(7) . ?
C2 H2A 0.9300 . ?
C3 N1 1.322(5) . ?
C3 H3A 0.9300 . ?
C9 N4 1.337(5) . ?
C9 C10 1.384(6) . ?
C9 H9A 0.9300 . ?
C10 C11 1.397(6) . ?
C10 H10A 0.9300 . ?
C11 N5 1.348(5) . ?
C11 C12 1.466(6) . ?
C12 N6 1.340(5) . ?
C12 C13 1.374(6) . ?
C13 C14 1.381(8) . ?
C13 H13A 0.9300 . ?
C14 C15 1.356(8) . ?
C14 H14A 0.9300 . ?
C15 C16 1.358(7) . ?
C15 H15A 0.9300 . ?
C16 N6 1.341(5) . ?
C16 H16A 0.9300 . ?
C17 O1 1.237(4) . ?
C17 O2 1.249(4) . ?
C17 C18 1.520(5) . ?
C18 C22 1.396(5) . ?
C18 C19 1.407(5) . ?
C19 C20 1.428(5) . ?
C19 C22 1.429(5) 2_667 ?
C20 C21 1.347(6) . ?
C20 H20A 0.9300 . ?
C21 C24 1.405(6) 2_667 ?
C21 H21A 0.9300 . ?
C22 C19 1.429(5) 2_667 ?
C22 C23 1.432(5) . ?
C23 C24 1.356(6) . ?
C23 H23A 0.9300 . ?
C24 C21 1.405(6) 2_667 ?
C24 H24A 0.9300 . ?
N1 N2 1.353(4) . ?
N2 Zn1 2.072(3) 2_666 ?
N4 N5 1.329(4) . ?
N4 H4B 0.8600 . ?
C4 N3 1.333(5) . ?
C4 C5 1.383(6) . ?
C4 H4A 0.9300 . ?
C5 C6 1.347(7) . ?
C5 H5A 0.9300 . ?
C6 C7 1.374(6) . ?
C6 H6A 0.9300 . ?
C7 C8 1.363(6) . ?
C7 H7A 0.9300 . ?
C8 N3 1.342(5) . ?
N3 Zn1 2.279(3) 2_666 ?
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 C1 C2 C3 -1.1(6) . . . . ?
C8 C1 C2 C3 -179.9(5) . . . . ?
C1 C2 C3 N1 1.0(6) . . . . ?
N4 C9 C10 C11 -0.2(5) . . . . ?
C9 C10 C11 N5 0.3(5) . . . . ?
C9 C10 C11 C12 177.6(5) . . . . ?
N5 C11 C12 N6 6.3(6) . . . . ?
C10 C11 C12 N6 -170.8(5) . . . . ?
N5 C11 C12 C13 -173.7(5) . . . . ?
C10 C11 C12 C13 9.2(8) . . . . ?
N6 C12 C13 C14 1.4(9) . . . . ?
C11 C12 C13 C14 -178.6(6) . . . . ?
C12 C13 C14 C15 0.5(11) . . . . ?
C13 C14 C15 C16 -1.4(11) . . . . ?
C14 C15 C16 N6 0.5(10) . . . . ?
O1 C17 C18 C22 -107.1(4) . . . . ?
O2 C17 C18 C22 73.4(4) . . . . ?
O1 C17 C18 C19 74.4(4) . . . . ?
O2 C17 C18 C19 -105.2(4) . . . . ?
C22 C18 C19 C20 179.9(3) . . . . ?
C17 C18 C19 C20 -1.6(5) . . . . ?
C22 C18 C19 C22 -0.8(5) . . . 2_667 ?
C17 C18 C19 C22 177.7(3) . . . 2_667 ?
C18 C19 C20 C21 177.4(4) . . . . ?
C22 C19 C20 C21 -1.9(6) 2_667 . . . ?
C19 C20 C21 C24 0.6(7) . . . 2_667 ?
C19 C18 C22 C19 0.8(5) . . . 2_667 ?
C17 C18 C22 C19 -177.7(3) . . . 2_667 ?
C19 C18 C22 C23 -177.8(3) . . . . ?
C17 C18 C22 C23 3.6(5) . . . . ?
C18 C22 C23 C24 178.3(4) . . . . ?
C19 C22 C23 C24 -0.4(5) 2_667 . . . ?
C22 C23 C24 C21 1.8(6) . . . 2_667 ?
C2 C3 N1 N2 -0.5(6) . . . . ?
C2 C3 N1 Zn1 174.2(3) . . . . ?
N2 Zn1 N1 C3 -172.9(4) 2_666 . . . ?
O1 Zn1 N1 C3 92.7(4) . . . . ?
N5 Zn1 N1 C3 -4.1(4) . . . . ?
N3 Zn1 N1 C3 -174.2(17) 2_666 . . . ?
N6 Zn1 N1 C3 -77.4(4) . . . . ?
N2 Zn1 N1 N2 0.9(4) 2_666 . . . ?
O1 Zn1 N1 N2 -93.4(3) . . . . ?
N5 Zn1 N1 N2 169.8(3) . . . . ?
N3 Zn1 N1 N2 0(2) 2_666 . . . ?
N6 Zn1 N1 N2 96.5(3) . . . . ?
C2 C1 N2 N1 0.8(5) . . . . ?
C8 C1 N2 N1 179.8(3) . . . . ?
C2 C1 N2 Zn1 -174.2(3) . . . 2_666 ?
C8 C1 N2 Zn1 4.9(5) . . . 2_666 ?
C3 N1 N2 C1 -0.2(5) . . . . ?
Zn1 N1 N2 C1 -175.0(3) . . . . ?
C3 N1 N2 Zn1 173.6(3) . . . 2_666 ?
Zn1 N1 N2 Zn1 -1.3(5) . . . 2_666 ?
C10 C9 N4 N5 0.0(5) . . . . ?
C9 N4 N5 C11 0.2(5) . . . . ?
C9 N4 N5 Zn1 -168.0(3) . . . . ?
C10 C11 N5 N4 -0.3(5) . . . . ?
C12 C11 N5 N4 -178.1(3) . . . . ?
C10 C11 N5 Zn1 169.9(3) . . . . ?
C12 C11 N5 Zn1 -7.9(5) . . . . ?
N1 Zn1 N5 N4 81.4(4) . . . . ?
N2 Zn1 N5 N4 -134.9(4) 2_666 . . . ?
O1 Zn1 N5 N4 -13.0(4) . . . . ?
N3 Zn1 N5 N4 -99.3(4) 2_666 . . . ?
N6 Zn1 N5 N4 171.9(4) . . . . ?
N1 Zn1 N5 C11 -85.5(3) . . . . ?
N2 Zn1 N5 C11 58.2(5) 2_666 . . . ?
O1 Zn1 N5 C11 -179.9(3) . . . . ?
N3 Zn1 N5 C11 93.8(3) 2_666 . . . ?
N6 Zn1 N5 C11 5.0(3) . . . . ?
C13 C12 N6 C16 -2.3(7) . . . . ?
C11 C12 N6 C16 177.7(4) . . . . ?
C13 C12 N6 Zn1 178.0(4) . . . . ?
C11 C12 N6 Zn1 -2.0(5) . . . . ?
C15 C16 N6 C12 1.3(8) . . . . ?
C15 C16 N6 Zn1 -179.0(5) . . . . ?
N1 Zn1 N6 C12 92.9(3) . . . . ?
N2 Zn1 N6 C12 -166.4(3) 2_666 . . . ?
O1 Zn1 N6 C12 -26.6(8) . . . . ?
N5 Zn1 N6 C12 -1.3(3) . . . . ?
N3 Zn1 N6 C12 -90.8(3) 2_666 . . . ?
N1 Zn1 N6 C16 -86.9(4) . . . . ?
N2 Zn1 N6 C16 13.9(4) 2_666 . . . ?
O1 Zn1 N6 C16 153.7(6) . . . . ?
N5 Zn1 N6 C16 178.9(4) . . . . ?
N3 Zn1 N6 C16 89.5(4) 2_666 . . . ?
O2 C17 O1 Zn1 4.8(7) . . . . ?
C18 C17 O1 Zn1 -174.7(3) . . . . ?
N1 Zn1 O1 C17 -90.5(4) . . . . ?
N2 Zn1 O1 C17 168.6(4) 2_666 . . . ?
N5 Zn1 O1 C17 4.5(4) . . . . ?
N3 Zn1 O1 C17 93.2(4) 2_666 . . . ?
N6 Zn1 O1 C17 28.8(9) . . . . ?
N3 C4 C5 C6 -0.6(8) . . . . ?
C4 C5 C6 C7 0.3(8) . . . . ?
C5 C6 C7 C8 -0.4(8) . . . . ?
C6 C7 C8 N3 0.8(7) . . . . ?
C6 C7 C8 C1 -179.3(4) . . . . ?
N2 C1 C8 N3 0.6(5) . . . . ?
C2 C1 C8 N3 179.4(5) . . . . ?
N2 C1 C8 C7 -179.2(4) . . . . ?
C2 C1 C8 C7 -0.5(8) . . . . ?
C5 C4 N3 C8 1.0(6) . . . . ?
C5 C4 N3 Zn1 -174.0(3) . . . 2_666 ?
C7 C8 N3 C4 -1.1(6) . . . . ?
C1 C8 N3 C4 179.0(4) . . . . ?
C7 C8 N3 Zn1 174.7(3) . . . 2_666 ?
C1 C8 N3 Zn1 -5.1(4) . . . 2_666 ?
