#------------------------------------------------------------------------------
#$Date: 2020-10-06 11:01:24 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257480 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/00/7240033.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_7240033
loop_
_publ_author_name
'Liu, Guocheng'
'Liang, Shuang'
'Li, Qiaomin'
'Guo, Jiao'
'Xu, Na'
'Wang, Xiuli'
'Li, Yan'
'Chen, Baokuan'
_publ_section_title
;
 Metal/N-donor-induced versatile structures and properties of seven 0D
 → 3D complexes based on dpq/dppz and O-bridged tricarboxylate:
 fluorescence and electrochemical behaviors
;
_journal_issue                   7
_journal_name_full               CrystEngComm
_journal_page_first              1209
_journal_page_last               1219
_journal_paper_doi               10.1039/C9CE01878F
_journal_volume                  22
_journal_year                    2020
_chemical_formula_moiety         'C29 H18 N4 O8 Zn, H2 O'
_chemical_formula_sum            'C29 H20 N4 O9 Zn'
_chemical_formula_weight         633.88
_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_method           SHELXL-2014/7
_audit_update_record
;
2019-11-08 deposited with the CCDC.	2020-01-06 downloaded from the CCDC.
;
_cell_angle_alpha                99.091(1)
_cell_angle_beta                 90.462(1)
_cell_angle_gamma                109.098(1)
_cell_formula_units_Z            2
_cell_length_a                   9.7470(5)
_cell_length_b                   11.5054(6)
_cell_length_c                   12.5424(7)
_cell_measurement_reflns_used    2835
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.31
_cell_measurement_theta_min      2.22
_cell_volume                     1309.74(12)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0206
_diffrn_reflns_av_unetI/netI     0.0429
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8516
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         1.648
_exptl_absorpt_coefficient_mu    1.004
_exptl_absorpt_correction_T_max  0.907
_exptl_absorpt_correction_T_min  0.882
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.607
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             648
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.337
_refine_diff_density_min         -0.445
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         5363
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0513
_refine_ls_R_factor_gt           0.0357
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0372P)²+0.2805P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0768
_refine_ls_wR_factor_ref         0.0828
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4294
_reflns_number_total             5363
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9ce01878f2.cif
_cod_data_source_block           4
_cod_depositor_comments
'Adding full bibliography for 7240030--7240036.cif.'
_cod_database_code               7240033
_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.
;
_shelx_estimated_absorpt_t_min   0.832
_shelx_estimated_absorpt_t_max   0.906
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
Zn1 Zn -0.13529(3) 0.18381(3) 0.93048(2) 0.02880(9) Uani 1 1 d . . . . .
O1W O -0.18801(19) 0.05582(16) 1.03351(14) 0.0445(5) Uani 1 1 d . . . . .
H1A H -0.1595 -0.0077 1.0305 0.053 Uiso 1 1 d R U . . .
H1B H -0.2680 0.0424 1.0650 0.053 Uiso 1 1 d R U . . .
O2W O -0.4442(2) 0.00807(19) 1.12502(16) 0.0656(7) Uani 1 1 d . . . . .
H2A H -0.4351 0.0428 1.1913 0.079 Uiso 1 1 d R U . . .
H2B H -0.5145 -0.0603 1.1150 0.079 Uiso 1 1 d R U . . .
O1 O 0.04895(17) 0.30574(16) 1.01123(14) 0.0381(4) Uani 1 1 d . . . . .
O2 O 0.11145(17) 0.14470(16) 0.93839(14) 0.0390(4) Uani 1 1 d . . . . .
O3 O 0.67985(16) 0.22609(15) 0.95498(12) 0.0308(4) Uani 1 1 d . . . . .
O4 O 0.75338(17) 0.29531(17) 1.12828(13) 0.0399(4) Uani 1 1 d . . . . .
O5 O 0.3300(2) 0.66794(19) 1.67783(14) 0.0534(5) Uani 1 1 d . . . . .
H5A H 0.3040 0.6900 1.7490 0.064 Uiso 1 1 d R U . . .
O6 O 0.4091(2) 0.87038(18) 1.66426(14) 0.0521(5) Uani 1 1 d . . . . .
O7 O 0.50526(18) 0.62662(14) 1.19631(12) 0.0344(4) Uani 1 1 d . . . . .
N1 N -0.1899(2) 0.04267(18) 0.78785(15) 0.0297(4) Uani 1 1 d . . . . .
N2 N -0.0821(2) 0.28917(18) 0.79633(15) 0.0314(4) Uani 1 1 d . . . . .
N3 N -0.0563(2) 0.2356(2) 0.40806(18) 0.0506(6) Uani 1 1 d . . . . .
N4 N -0.1668(2) -0.0248(2) 0.39988(17) 0.0478(6) Uani 1 1 d . . . . .
C1 C -0.0306(3) 0.4122(2) 0.8033(2) 0.0407(6) Uani 1 1 d . . . . .
H1 H -0.0180 0.4618 0.8712 0.049 Uiso 1 1 calc R U . . .
C2 C 0.0051(3) 0.4698(3) 0.7138(2) 0.0528(8) Uani 1 1 d . . . . .
H2 H 0.0395 0.5564 0.7217 0.063 Uiso 1 1 calc R U . . .
C3 C -0.0107(3) 0.3983(3) 0.6140(2) 0.0504(7) Uani 1 1 d . . . . .
H3 H 0.0147 0.4360 0.5534 0.061 Uiso 1 1 calc R U . . .
C4 C -0.0651(3) 0.2683(2) 0.60285(19) 0.0356(6) Uani 1 1 d . . . . .
C5 C -0.0886(3) 0.1850(3) 0.49921(19) 0.0377(6) Uani 1 1 d . . . . .
C6 C -0.0821(3) 0.1556(4) 0.3166(2) 0.0579(9) Uani 1 1 d . . . . .
H6 H -0.0638 0.1865 0.2521 0.069 Uiso 1 1 calc R U . . .
C7 C -0.1354(3) 0.0271(3) 0.3123(2) 0.0558(8) Uani 1 1 d . . . . .
H7 H -0.1497 -0.0244 0.2453 0.067 Uiso 1 1 calc R U . . .
C8 C -0.1451(3) 0.0557(3) 0.49470(18) 0.0358(6) Uani 1 1 d . . . . .
C9 C -0.1817(2) 0.0033(2) 0.59346(19) 0.0320(5) Uani 1 1 d . . . . .
C10 C -0.2360(3) -0.1251(2) 0.5939(2) 0.0420(6) Uani 1 1 d . . . . .
H10 H -0.2516 -0.1817 0.5297 0.050 Uiso 1 1 calc R U . . .
C11 C -0.2657(3) -0.1659(2) 0.6904(2) 0.0456(7) Uani 1 1 d . . . . .
H11 H -0.3017 -0.2510 0.6925 0.055 Uiso 1 1 calc R U . . .
C12 C -0.2417(3) -0.0797(2) 0.7854(2) 0.0395(6) Uani 1 1 d . . . . .
H12 H -0.2630 -0.1092 0.8503 0.047 Uiso 1 1 calc R U . . .
C13 C -0.1595(2) 0.0841(2) 0.69270(18) 0.0280(5) Uani 1 1 d . . . . .
C14 C -0.1005(2) 0.2180(2) 0.69711(18) 0.0288(5) Uani 1 1 d . . . . .
C15 C 0.1425(2) 0.2516(2) 0.99269(17) 0.0294(5) Uani 1 1 d . . . . .
C16 C 0.2955(2) 0.3214(2) 1.03979(16) 0.0242(5) Uani 1 1 d . . . . .
C17 C 0.4065(2) 0.2710(2) 1.01799(16) 0.0236(5) Uani 1 1 d . . . . .
H17 H 0.3869 0.1948 0.9721 0.028 Uiso 1 1 calc R U . . .
C18 C 0.5461(2) 0.3341(2) 1.06454(16) 0.0237(5) Uani 1 1 d . . . . .
C19 C 0.6683(2) 0.2810(2) 1.04881(18) 0.0265(5) Uani 1 1 d . . . . .
C20 C 0.5761(2) 0.4513(2) 1.12911(17) 0.0274(5) Uani 1 1 d . . . . .
H20 H 0.6690 0.4940 1.1614 0.033 Uiso 1 1 calc R U . . .
C21 C 0.4679(2) 0.5027(2) 1.14456(17) 0.0270(5) Uani 1 1 d . . . . .
C22 C 0.3271(2) 0.4388(2) 1.10240(17) 0.0283(5) Uani 1 1 d . . . . .
H22 H 0.2543 0.4741 1.1158 0.034 Uiso 1 1 calc R U . . .
C23 C 0.4645(2) 0.6508(2) 1.29952(17) 0.0279(5) Uani 1 1 d . . . . .
C24 C 0.4781(3) 0.7740(2) 1.33729(19) 0.0342(6) Uani 1 1 d . . . . .
H24 H 0.5068 0.8334 1.2922 0.041 Uiso 1 1 calc R U . . .
C25 C 0.4486(3) 0.8071(2) 1.4424(2) 0.0370(6) Uani 1 1 d . . . . .
H25 H 0.4591 0.8900 1.4686 0.044 Uiso 1 1 calc R U . . .
C26 C 0.4038(2) 0.7199(2) 1.50986(18) 0.0334(6) Uani 1 1 d . . . . .
C27 C 0.3814(3) 0.7612(3) 1.6251(2) 0.0385(6) Uani 1 1 d . . . . .
C28 C 0.3879(3) 0.5972(2) 1.4703(2) 0.0440(7) Uani 1 1 d . . . . .
H28 H 0.3563 0.5374 1.5148 0.053 Uiso 1 1 calc R U . . .
C29 C 0.4185(3) 0.5619(2) 1.3651(2) 0.0452(7) Uani 1 1 d . . . . .
H29 H 0.4081 0.4791 1.3389 0.054 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'
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
O1 Zn1 O3 116.59(6) . 1_455 ?
O1 Zn1 O1W 98.91(7) . . ?
O3 Zn1 O1W 92.58(7) 1_455 . ?
O1 Zn1 N1 136.63(7) . . ?
O3 Zn1 N1 104.09(7) 1_455 . ?
O1W Zn1 N1 93.41(7) . . ?
O1 Zn1 N2 87.73(7) . . ?
O3 Zn1 N2 92.38(7) 1_455 . ?
O1W Zn1 N2 168.89(7) . . ?
N1 Zn1 N2 75.73(7) . . ?
O1 Zn1 O2 55.39(6) . . ?
O3 Zn1 O2 169.08(6) 1_455 . ?
O1W Zn1 O2 82.13(6) . . ?
N1 Zn1 O2 85.83(6) . . ?
N2 Zn1 O2 94.54(6) . . ?
Zn1 O1W H1A 125.9 . . ?
Zn1 O1W H1B 119.7 . . ?
H1A O1W H1B 109.6 . . ?
H2A O2W H2B 110.4 . . ?
C15 O1 Zn1 104.07(15) . . ?
C15 O2 Zn1 78.13(13) . . ?
C19 O3 Zn1 116.74(14) . 1_655 ?
C27 O5 H5A 115.2 . . ?
C23 O7 C21 118.83(17) . . ?
C12 N1 C13 117.8(2) . . ?
C12 N1 Zn1 126.19(17) . . ?
C13 N1 Zn1 115.90(15) . . ?
C1 N2 C14 118.1(2) . . ?
C1 N2 Zn1 127.13(17) . . ?
C14 N2 Zn1 114.72(15) . . ?
C6 N3 C5 115.8(3) . . ?
C7 N4 C8 115.6(3) . . ?
N2 C1 C2 122.7(2) . . ?
N2 C1 H1 118.6 . . ?
C2 C1 H1 118.6 . . ?
C3 C2 C1 119.3(3) . . ?
C3 C2 H2 120.4 . . ?
C1 C2 H2 120.4 . . ?
C2 C3 C4 119.9(3) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C14 C4 C3 117.0(2) . . ?
C14 C4 C5 119.4(2) . . ?
C3 C4 C5 123.6(2) . . ?
N3 C5 C8 121.3(2) . . ?
N3 C5 C4 118.6(2) . . ?
C8 C5 C4 120.1(2) . . ?
N3 C6 C7 122.9(3) . . ?
N3 C6 H6 118.5 . . ?
C7 C6 H6 118.5 . . ?
N4 C7 C6 122.6(3) . . ?
N4 C7 H7 118.7 . . ?
C6 C7 H7 118.7 . . ?
N4 C8 C5 121.8(2) . . ?
N4 C8 C9 117.9(2) . . ?
C5 C8 C9 120.4(2) . . ?
C10 C9 C13 118.0(2) . . ?
C10 C9 C8 122.8(2) . . ?
C13 C9 C8 119.2(2) . . ?
C11 C10 C9 118.9(2) . . ?
C11 C10 H10 120.6 . . ?
C9 C10 H10 120.6 . . ?
C10 C11 C12 119.6(2) . . ?
C10 C11 H11 120.2 . . ?
C12 C11 H11 120.2 . . ?
N1 C12 C11 123.1(2) . . ?
N1 C12 H12 118.5 . . ?
C11 C12 H12 118.5 . . ?
N1 C13 C9 122.6(2) . . ?
N1 C13 C14 117.03(19) . . ?
C9 C13 C14 120.3(2) . . ?
N2 C14 C4 122.9(2) . . ?
N2 C14 C13 116.5(2) . . ?
C4 C14 C13 120.6(2) . . ?
O2 C15 O1 122.4(2) . . ?
O2 C15 C16 120.4(2) . . ?
O1 C15 C16 117.2(2) . . ?
C22 C16 C17 119.8(2) . . ?
C22 C16 C15 119.6(2) . . ?
C17 C16 C15 120.65(19) . . ?
C18 C17 C16 120.22(19) . . ?
C18 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C17 C18 C20 119.5(2) . . ?
C17 C18 C19 122.55(19) . . ?
C20 C18 C19 118.00(19) . . ?
O4 C19 O3 123.9(2) . . ?
O4 C19 C18 118.10(19) . . ?
O3 C19 C18 118.0(2) . . ?
C21 C20 C18 119.6(2) . . ?
C21 C20 H20 120.2 . . ?
C18 C20 H20 120.2 . . ?
C20 C21 C22 121.6(2) . . ?
C20 C21 O7 118.3(2) . . ?
C22 C21 O7 119.9(2) . . ?
C21 C22 C16 119.2(2) . . ?
C21 C22 H22 120.4 . . ?
C16 C22 H22 120.4 . . ?
O7 C23 C29 123.7(2) . . ?
O7 C23 C24 115.5(2) . . ?
C29 C23 C24 120.7(2) . . ?
C25 C24 C23 118.9(2) . . ?
C25 C24 H24 120.5 . . ?
C23 C24 H24 120.5 . . ?
C24 C25 C26 121.3(2) . . ?
C24 C25 H25 119.4 . . ?
C26 C25 H25 119.4 . . ?
C28 C26 C25 119.1(2) . . ?
C28 C26 C27 121.4(2) . . ?
C25 C26 C27 119.4(2) . . ?
O6 C27 O5 124.6(2) . . ?
O6 C27 C26 122.4(3) . . ?
O5 C27 C26 112.9(2) . . ?
C26 C28 C29 120.7(2) . . ?
C26 C28 H28 119.7 . . ?
C29 C28 H28 119.7 . . ?
C23 C29 C28 119.3(2) . . ?
C23 C29 H29 120.3 . . ?
C28 C29 H29 120.3 . . ?
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 O1 2.0228(16) . ?
Zn1 O3 2.0281(15) 1_455 ?
Zn1 O1W 2.0542(17) . ?
Zn1 N1 2.1498(19) . ?
Zn1 N2 2.1946(19) . ?
Zn1 O2 2.5912(17) . ?
O1W H1A 0.8584 . ?
O1W H1B 0.8560 . ?
O2W H2A 0.8546 . ?
O2W H2B 0.8474 . ?
O1 C15 1.266(3) . ?
O2 C15 1.247(3) . ?
O3 C19 1.269(3) . ?
O4 C19 1.246(3) . ?
O5 C27 1.310(3) . ?
O5 H5A 0.9487 . ?
O6 C27 1.214(3) . ?
O7 C23 1.371(2) . ?
O7 C21 1.396(3) . ?
N1 C12 1.326(3) . ?
N1 C13 1.354(3) . ?
N2 C1 1.327(3) . ?
N2 C14 1.353(3) . ?
N3 C6 1.317(4) . ?
N3 C5 1.357(3) . ?
N4 C7 1.323(4) . ?
N4 C8 1.355(3) . ?
C1 C2 1.381(4) . ?
C1 H1 0.9300 . ?
C2 C3 1.363(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.397(4) . ?
C3 H3 0.9300 . ?
C4 C14 1.394(3) . ?
C4 C5 1.455(3) . ?
C5 C8 1.399(4) . ?
C6 C7 1.389(5) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C9 1.458(3) . ?
C9 C10 1.398(4) . ?
C9 C13 1.399(3) . ?
C10 C11 1.366(4) . ?
C10 H10 0.9300 . ?
C11 C12 1.389(4) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.449(3) . ?
C15 C16 1.506(3) . ?
C16 C22 1.388(3) . ?
C16 C17 1.396(3) . ?
C17 C18 1.388(3) . ?
C17 H17 0.9300 . ?
C18 C20 1.397(3) . ?
C18 C19 1.508(3) . ?
C20 C21 1.370(3) . ?
C20 H20 0.9300 . ?
C21 C22 1.382(3) . ?
C22 H22 0.9300 . ?
C23 C29 1.377(3) . ?
C23 C24 1.383(3) . ?
C24 C25 1.373(3) . ?
C24 H24 0.9300 . ?
C25 C26 1.379(3) . ?
C25 H25 0.9300 . ?
C26 C28 1.378(3) . ?
C26 C27 1.489(3) . ?
C28 C29 1.382(3) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H1A O2 0.86 1.88 2.717(3) 165 2_557
O1W H1B O2W 0.86 1.83 2.684(2) 177 .
O2W H2A O6 0.85 1.90 2.750(2) 176 2_568
O2W H2B O3 0.85 2.11 2.932(2) 164 2_557
O5 H5A O4 0.95 1.64 2.585(2) 171 2_668
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
C14 N2 C1 C2 -0.2(4) . . . . ?
Zn1 N2 C1 C2 177.3(2) . . . . ?
N2 C1 C2 C3 -1.0(4) . . . . ?
C1 C2 C3 C4 1.2(5) . . . . ?
C2 C3 C4 C14 -0.2(4) . . . . ?
C2 C3 C4 C5 178.5(3) . . . . ?
C6 N3 C5 C8 0.3(4) . . . . ?
C6 N3 C5 C4 -178.9(2) . . . . ?
C14 C4 C5 N3 178.7(2) . . . . ?
C3 C4 C5 N3 -0.1(4) . . . . ?
C14 C4 C5 C8 -0.5(4) . . . . ?
C3 C4 C5 C8 -179.3(2) . . . . ?
C5 N3 C6 C7 -1.6(4) . . . . ?
C8 N4 C7 C6 0.7(4) . . . . ?
N3 C6 C7 N4 1.2(5) . . . . ?
C7 N4 C8 C5 -2.1(4) . . . . ?
C7 N4 C8 C9 178.4(2) . . . . ?
N3 C5 C8 N4 1.7(4) . . . . ?
C4 C5 C8 N4 -179.2(2) . . . . ?
N3 C5 C8 C9 -178.8(2) . . . . ?
C4 C5 C8 C9 0.4(4) . . . . ?
N4 C8 C9 C10 0.7(3) . . . . ?
C5 C8 C9 C10 -178.8(2) . . . . ?
N4 C8 C9 C13 179.6(2) . . . . ?
C5 C8 C9 C13 0.0(3) . . . . ?
C13 C9 C10 C11 0.4(4) . . . . ?
C8 C9 C10 C11 179.2(2) . . . . ?
C9 C10 C11 C12 0.1(4) . . . . ?
C13 N1 C12 C11 0.0(4) . . . . ?
Zn1 N1 C12 C11 -175.63(19) . . . . ?
C10 C11 C12 N1 -0.3(4) . . . . ?
C12 N1 C13 C9 0.5(3) . . . . ?
Zn1 N1 C13 C9 176.59(17) . . . . ?
C12 N1 C13 C14 -178.9(2) . . . . ?
Zn1 N1 C13 C14 -2.8(3) . . . . ?
C10 C9 C13 N1 -0.7(3) . . . . ?
C8 C9 C13 N1 -179.6(2) . . . . ?
C10 C9 C13 C14 178.7(2) . . . . ?
C8 C9 C13 C14 -0.2(3) . . . . ?
C1 N2 C14 C4 1.3(3) . . . . ?
Zn1 N2 C14 C4 -176.54(18) . . . . ?
C1 N2 C14 C13 -178.9(2) . . . . ?
Zn1 N2 C14 C13 3.2(3) . . . . ?
C3 C4 C14 N2 -1.1(4) . . . . ?
C5 C4 C14 N2 -179.9(2) . . . . ?
C3 C4 C14 C13 179.1(2) . . . . ?
C5 C4 C14 C13 0.3(3) . . . . ?
N1 C13 C14 N2 -0.4(3) . . . . ?
C9 C13 C14 N2 -179.8(2) . . . . ?
N1 C13 C14 C4 179.4(2) . . . . ?
C9 C13 C14 C4 0.0(3) . . . . ?
Zn1 O2 C15 O1 1.7(2) . . . . ?
Zn1 O2 C15 C16 -178.7(2) . . . . ?
Zn1 O1 C15 O2 -2.2(3) . . . . ?
Zn1 O1 C15 C16 178.14(15) . . . . ?
O2 C15 C16 C22 -178.3(2) . . . . ?
O1 C15 C16 C22 1.4(3) . . . . ?
O2 C15 C16 C17 3.9(3) . . . . ?
O1 C15 C16 C17 -176.4(2) . . . . ?
C22 C16 C17 C18 4.3(3) . . . . ?
C15 C16 C17 C18 -177.92(19) . . . . ?
C16 C17 C18 C20 -3.1(3) . . . . ?
C16 C17 C18 C19 176.60(19) . . . . ?
Zn1 O3 C19 O4 -9.5(3) 1_655 . . . ?
Zn1 O3 C19 C18 169.29(14) 1_655 . . . ?
C17 C18 C19 O4 -139.4(2) . . . . ?
C20 C18 C19 O4 40.3(3) . . . . ?
C17 C18 C19 O3 41.7(3) . . . . ?
C20 C18 C19 O3 -138.6(2) . . . . ?
C17 C18 C20 C21 -0.7(3) . . . . ?
C19 C18 C20 C21 179.6(2) . . . . ?
C18 C20 C21 C22 3.4(3) . . . . ?
C18 C20 C21 O7 -171.02(19) . . . . ?
C23 O7 C21 C20 -108.6(2) . . . . ?
C23 O7 C21 C22 76.9(3) . . . . ?
C20 C21 C22 C16 -2.2(3) . . . . ?
O7 C21 C22 C16 172.14(19) . . . . ?
C17 C16 C22 C21 -1.7(3) . . . . ?
C15 C16 C22 C21 -179.5(2) . . . . ?
C21 O7 C23 C29 15.5(3) . . . . ?
C21 O7 C23 C24 -167.2(2) . . . . ?
O7 C23 C24 C25 -175.7(2) . . . . ?
C29 C23 C24 C25 1.7(4) . . . . ?
C23 C24 C25 C26 -1.0(4) . . . . ?
C24 C25 C26 C28 -0.3(4) . . . . ?
C24 C25 C26 C27 176.5(2) . . . . ?
C28 C26 C27 O6 172.3(3) . . . . ?
C25 C26 C27 O6 -4.4(4) . . . . ?
C28 C26 C27 O5 -7.4(4) . . . . ?
C25 C26 C27 O5 175.9(2) . . . . ?
C25 C26 C28 C29 1.0(4) . . . . ?
C27 C26 C28 C29 -175.7(3) . . . . ?
O7 C23 C29 C28 176.2(2) . . . . ?
C24 C23 C29 C28 -1.0(4) . . . . ?
C26 C28 C29 C23 -0.4(4) . . . . ?
