#------------------------------------------------------------------------------
#$Date: 2020-08-06 10:02:36 +0300 (Thu, 06 Aug 2020) $
#$Revision: 254856 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/22/2022216.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2022216
loop_
_publ_author_name
'Chen, Ning-Ning'
'Zhang, Chen'
'Tao, Jian-Qing'
_publ_section_title
;
 A twofold interpenetrating two-dimensional zinc(II) coordination polymer:
 synthesis, crystal structure and physical properties
;
_journal_coeditor_code           QS3094
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S205322962001058X
_journal_volume                  76
_journal_year                    2020
_chemical_formula_iupac          '[Zn (C12 H6 O4) (C14 H14 N4)], C3 H7 N O'
_chemical_formula_moiety         'C26 H20 N4 O4 Zn, C3 H7 N O'
_chemical_formula_sum            'C29 H27 N5 O5 Zn'
_chemical_formula_weight         590.95
_chemical_name_systematic
'Poly[[(μ-1,3-bis(2-methyl-1H-imidazol-1-yl)benzene-κ²N³:N³)(μ-naphthalene-2,6-dicarboxylato-κ²O²:O⁶)zinc(II)] dimethylformamide monosolvate]'
_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
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                80.65(3)
_cell_angle_beta                 89.97(2)
_cell_angle_gamma                89.99(4)
_cell_formula_units_Z            4
_cell_length_a                   11.588(8)
_cell_length_b                   11.995(8)
_cell_length_c                   20.431(12)
_cell_measurement_reflns_used    9132
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.43
_cell_measurement_theta_min      2.72
_cell_volume                     2802(3)
_computing_cell_refinement
;
SAINT (Bruker, 2016)
;
_computing_data_collection
;
APEX3 (Bruker, 2016)
;
_computing_data_reduction
;
SAINT (Bruker, 2016)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg & Putz, 2005)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.995
_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  0.0429
_diffrn_reflns_av_unetI/netI     0.0204
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            138582
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         2.432
_exptl_absorpt_coefficient_mu    0.924
_exptl_absorpt_correction_T_max  0.851
_exptl_absorpt_correction_T_min  0.721
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2008)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.401
_exptl_crystal_description       block
_exptl_crystal_F_000             1224
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.190
_refine_diff_density_max         0.537
_refine_diff_density_min         -0.350
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     729
_refine_ls_number_reflns         9807
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0548
_refine_ls_R_factor_gt           0.0403
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0610P)²+1.8560P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1067
_refine_ls_wR_factor_ref         0.1125
_reflns_number_gt                7872
_reflns_number_total             9807
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            qs3094sup1.cif
_cod_data_source_block           I
_cod_database_code               2022216
_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   0.830
_shelx_estimated_absorpt_t_max   0.844
_shelxl_version_number           2.014
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C4 0.0025(2) 0.5486(2) 0.97860(14) 0.0403(7) Uani d 1 . .
C C1 0.0056(3) 0.3984(3) 0.81317(15) 0.0452(7) Uani d 1 . .
C C2 0.0025(2) 0.4193(3) 0.88545(14) 0.0422(7) Uani d 1 . .
C C3 0.0057(2) 0.5282(3) 0.91125(14) 0.0429(7) Uani d 1 . .
H H3 0.0105 0.5925 0.8791 0.051 Uiso calc 1 . .
C C5 -0.0038(3) 0.3231(3) 0.92770(15) 0.0479(8) Uani d 1 . .
H H5 -0.0071 0.2523 0.9148 0.057 Uiso calc 1 . .
C C6 -0.0050(3) 0.3401(3) 0.99380(15) 0.0488(8) Uani d 1 . .
H H6 -0.0076 0.2748 1.0253 0.059 Uiso calc 1 . .
C C7 -0.1834(2) 0.4394(2) 0.59205(15) 0.0417(7) Uani d 1 . .
C C8 -0.3071(2) 0.4621(2) 0.56779(15) 0.0416(7) Uani d 1 . .
C C9 -0.3836(3) 0.4826(3) 0.61342(16) 0.0512(8) Uani d 1 . .
H H9 -0.3628 0.4817 0.6575 0.061 Uiso calc 1 . .
C C10 -0.4952(3) 0.5049(3) 0.59143(16) 0.0536(8) Uani d 1 . .
H H10 -0.5491 0.5182 0.6230 0.064 Uiso calc 1 . .
C C11 -0.3465(3) 0.4649(3) 0.50182(15) 0.0457(7) Uani d 1 . .
H H11 -0.2921 0.4489 0.4712 0.055 Uiso calc 1 . .
C C12 -0.4625(3) 0.4901(2) 0.47671(15) 0.0417(7) Uani d 1 . .
C C13 -0.0175(3) 0.6870(3) 0.56219(16) 0.0543(8) Uani d 1 . .
H H13A 0.0001 0.6331 0.5336 0.081 Uiso calc 1 . .
H H13B -0.0204 0.7614 0.5365 0.081 Uiso calc 1 . .
H H13C -0.0908 0.6690 0.5831 0.081 Uiso calc 1 . .
C C14 0.0794(2) 0.6826(2) 0.61717(13) 0.0350(6) Uani d 1 . .
C C15 0.1925(3) 0.6350(3) 0.70699(17) 0.0550(9) Uani d 1 . .
H H15 0.2184 0.5888 0.7452 0.066 Uiso calc 1 . .
C C16 0.2360(3) 0.7319(3) 0.68480(18) 0.0583(9) Uani d 1 . .
H H16 0.2965 0.7708 0.7007 0.070 Uiso calc 1 . .
C C17 0.1754(2) 0.8638(2) 0.58915(14) 0.0386(6) Uani d 1 . .
C C18 0.1678(2) 0.9704(2) 0.61815(14) 0.0386(6) Uani d 1 . .
H H18 0.1527 0.9666 0.6632 0.046 Uiso calc 1 . .
C C19 0.1821(2) 1.0683(2) 0.58119(14) 0.0382(6) Uani d 1 . .
C C20 0.2044(3) 1.0590(3) 0.51725(15) 0.0447(7) Uani d 1 . .
H H20 0.2155 1.1259 0.4878 0.054 Uiso calc 1 . .
C C21 0.2129(3) 0.9512(3) 0.48966(15) 0.0483(8) Uani d 1 . .
H H21 0.2299 0.9552 0.4449 0.058 Uiso calc 1 . .
C C22 0.1976(3) 0.8521(2) 0.52521(15) 0.0453(7) Uani d 1 . .
H H22 0.2013 0.7837 0.5094 0.054 Uiso calc 1 . .
C C23 -0.0125(3) 1.1665(3) 0.64953(19) 0.0556(9) Uani d 1 . .
H H23A -0.0221 1.1199 0.6159 0.083 Uiso calc 1 . .
H H23B -0.0761 1.2183 0.6478 0.083 Uiso calc 1 . .
H H23C -0.0102 1.1198 0.6924 0.083 Uiso calc 1 . .
C C24 0.0922(2) 1.2281(2) 0.63842(13) 0.0349(6) Uani d 1 . .
C C25 0.2564(3) 1.2651(3) 0.60729(19) 0.0588(10) Uani d 1 . .
H H25 0.3295 1.2603 0.5892 0.071 Uiso calc 1 . .
C C26 0.2192(3) 1.3606(2) 0.63505(18) 0.0534(9) Uani d 1 . .
H H26 0.2608 1.4257 0.6384 0.064 Uiso calc 1 . .
C C27 0.3165(3) 0.0612(2) 0.09216(16) 0.0428(7) Uani d 1 . .
C C28 0.1928(2) 0.0382(2) 0.06781(15) 0.0410(7) Uani d 1 . .
C C29 0.1170(3) 0.0180(3) 0.11336(16) 0.0509(8) Uani d 1 . .
H H29 0.1340 0.0183 0.1578 0.061 Uiso calc 1 . .
C C30 0.0050(3) -0.0050(3) 0.09136(16) 0.0519(8) Uani d 1 . .
H H30 -0.0504 -0.0192 0.1246 0.062 Uiso calc 1 . .
C C31 0.1534(3) 0.0350(2) 0.00156(15) 0.0447(7) Uani d 1 . .
H H31 0.2096 0.0513 -0.0311 0.054 Uiso calc 1 . .
C C32 0.0377(3) 0.0099(2) -0.02347(15) 0.0412(7) Uani d 1 . .
C C33 0.5058(3) 0.1005(3) 0.31307(15) 0.0462(8) Uani d 1 . .
C C34 0.5025(2) 0.0810(3) 0.38554(14) 0.0426(7) Uani d 1 . .
C C35 0.5057(2) -0.0286(3) 0.41101(14) 0.0415(7) Uani d 1 . .
H H35 0.5097 -0.0858 0.3853 0.050 Uiso calc 1 . .
C C36 0.5024(2) -0.0481(2) 0.47891(14) 0.0396(7) Uani d 1 . .
C C37 0.5050(3) -0.1607(3) 0.50613(15) 0.0473(8) Uani d 1 . .
H H37 0.5073 -0.2191 0.4813 0.057 Uiso calc 1 . .
C C38 0.5039(3) -0.1764(3) 0.57227(15) 0.0489(8) Uani d 1 . .
H H38 0.5072 -0.2504 0.5946 0.059 Uiso calc 1 . .
C C39 0.4876(3) 0.3332(3) 0.14922(19) 0.0584(10) Uani d 1 . .
H H39A 0.4965 0.3673 0.1883 0.088 Uiso calc 1 . .
H H39B 0.4235 0.2820 0.1549 0.088 Uiso calc 1 . .
H H39C 0.4740 0.3910 0.1117 0.088 Uiso calc 1 . .
C C40 0.5915(2) 0.2722(2) 0.13839(13) 0.0350(6) Uani d 1 . .
C C41 0.7565(3) 0.2350(3) 0.10708(19) 0.0598(10) Uani d 1 . .
H H41 0.8290 0.2466 0.0876 0.072 Uiso calc 1 . .
C C42 0.7185(3) 0.1393(2) 0.13484(18) 0.0541(9) Uani d 1 . .
H H42 0.7552 0.0695 0.1400 0.065 Uiso calc 1 . .
C C43 0.6821(2) 0.4321(2) 0.08140(14) 0.0372(6) Uani d 1 . .
C C44 0.7046(2) 0.4409(3) 0.01722(15) 0.0426(7) Uani d 1 . .
H H44 0.7134 0.3801 -0.0054 0.051 Uiso calc 1 . .
C C45 0.7129(3) 0.5493(3) -0.01022(15) 0.0493(8) Uani d 1 . .
H H45 0.7294 0.5648 -0.0553 0.059 Uiso calc 1 . .
C C46 0.6980(3) 0.6481(3) 0.02517(15) 0.0468(7) Uani d 1 . .
H H46 0.7052 0.7206 0.0012 0.056 Uiso calc 1 . .
C C47 0.6752(2) 0.6364(2) 0.08893(14) 0.0380(6) Uani d 1 . .
C C48 0.6680(2) 0.5293(2) 0.11831(14) 0.0388(7) Uani d 1 . .
H H48 0.6536 0.5142 0.1637 0.047 Uiso calc 1 . .
C C49 0.4823(3) 0.8133(3) 0.06205(16) 0.0510(8) Uani d 1 . .
H H49A 0.5003 0.8675 0.0234 0.077 Uiso calc 1 . .
H H49B 0.4085 0.8308 0.0791 0.077 Uiso calc 1 . .
H H49C 0.4802 0.7390 0.0504 0.077 Uiso calc 1 . .
C C50 0.5793(2) 0.8178(2) 0.11755(13) 0.0348(6) Uani d 1 . .
C C51 0.6928(3) 0.8646(3) 0.20656(16) 0.0516(8) Uani d 1 . .
H H51 0.7213 0.9003 0.2403 0.062 Uiso calc 1 . .
C C52 0.7353(3) 0.7681(3) 0.18478(17) 0.0554(8) Uani d 1 . .
H H52 0.7994 0.7276 0.2027 0.067 Uiso calc 1 . .
C C53 0.4740(4) 0.6780(4) 0.2517(2) 0.0879(14) Uani d 1 . .
H H53 0.5105 0.7288 0.2747 0.105 Uiso calc 1 . .
C C54 0.3062(6) 0.7911(5) 0.2548(4) 0.135(3) Uani d 1 . .
H H54A 0.3630 0.8427 0.2665 0.202 Uiso calc 1 . .
H H54B 0.2595 0.7638 0.2929 0.202 Uiso calc 1 . .
H H54C 0.2582 0.8292 0.2199 0.202 Uiso calc 1 . .
C C55 0.3052(6) 0.6098(7) 0.1910(4) 0.144(3) Uani d 1 . .
H H55A 0.3630 0.5762 0.1666 0.217 Uiso calc 1 . .
H H55B 0.2504 0.6497 0.1606 0.217 Uiso calc 1 . .
H H55C 0.2663 0.5517 0.2207 0.217 Uiso calc 1 . .
C C56 0.0256(4) 0.1779(4) 0.2482(2) 0.0898(14) Uani d 1 . .
H H56 -0.0112 0.2387 0.2225 0.108 Uiso calc 1 . .
C C57 0.1954(6) 0.1102(7) 0.3102(4) 0.166(3) Uani d 1 . .
H H57A 0.1423 0.0674 0.3405 0.249 Uiso calc 1 . .
H H57B 0.2523 0.1445 0.3346 0.249 Uiso calc 1 . .
H H57C 0.2327 0.0609 0.2842 0.249 Uiso calc 1 . .
C C58 0.1937(5) 0.2913(4) 0.2449(4) 0.133(2) Uani d 1 . .
H H58A 0.2493 0.2765 0.2125 0.199 Uiso calc 1 . .
H H58B 0.2327 0.3171 0.2810 0.199 Uiso calc 1 . .
H H58C 0.1407 0.3482 0.2248 0.199 Uiso calc 1 . .
N N1 0.0954(2) 0.60380(18) 0.66495(11) 0.0387(5) Uani d 1 . .
N N2 0.1633(2) 0.76236(19) 0.62811(12) 0.0391(6) Uani d 1 . .
N N3 0.1766(2) 1.18142(18) 0.60934(12) 0.0400(6) Uani d 1 . .
N N4 0.11546(19) 1.33639(18) 0.65443(11) 0.0361(5) Uani d 1 . .
N N5 0.61524(19) 0.16344(18) 0.15429(11) 0.0366(5) Uani d 1 . .
N N6 0.6769(2) 0.31867(18) 0.10957(12) 0.0407(6) Uani d 1 . .
N N7 0.6636(2) 0.73750(18) 0.12813(12) 0.0395(6) Uani d 1 . .
N N8 0.5953(2) 0.89566(18) 0.16487(11) 0.0378(5) Uani d 1 . .
N N9 0.3646(3) 0.6949(3) 0.23199(17) 0.0762(10) Uani d 1 . .
N N10 0.1349(3) 0.1949(3) 0.26789(18) 0.0774(10) Uani d 1 . .
O O1 0.0298(2) 0.4865(2) 0.78021(10) 0.0572(6) Uani d 1 . .
O O2 -0.0140(2) 0.3031(2) 0.78917(12) 0.0668(7) Uani d 1 . .
O O3 -0.14938(17) 0.46125(19) 0.65338(11) 0.0525(6) Uani d 1 . .
O O4 -0.1221(2) 0.4033(2) 0.55397(12) 0.0638(6) Uani d 1 . .
O O5 0.35065(17) 0.0388(2) 0.15350(11) 0.0535(6) Uani d 1 . .
O O6 0.3782(2) 0.0967(2) 0.05397(12) 0.0675(7) Uani d 1 . .
O O7 0.5299(2) 0.0135(2) 0.28031(10) 0.0566(6) Uani d 1 . .
O O8 0.4856(2) 0.1971(2) 0.28909(12) 0.0703(7) Uani d 1 . .
O O9 0.5297(4) 0.5890(4) 0.2384(2) 0.1329(15) Uani d 1 . .
O O10 -0.0298(3) 0.0884(4) 0.2613(2) 0.1455(19) Uani d 1 . .
Zn Zn1 0.01244(3) 0.45688(2) 0.68441(2) 0.03313(10) Uani d 1 . .
Zn Zn2 0.51241(3) 0.04311(2) 0.18440(2) 0.03336(10) Uani d 1 . .
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C4 C4 C3 2_567 . 111.2(4) ?
C4 C4 C6 2_567 2_567 118.6(4) ?
C3 C4 C6 . 2_567 130.3(2) ?
O1 C1 O2 . . 124.5(3) ?
O1 C1 C2 . . 106.3(3) ?
O2 C1 C2 . . 129.2(3) ?
C5 C2 C3 . . 119.5(3) ?
C5 C2 C1 . . 111.5(3) ?
C3 C2 C1 . . 129.0(3) ?
C4 C3 C2 . . 129.4(3) ?
C4 C3 H3 . . 115.3 ?
C2 C3 H3 . . 115.3 ?
C2 C5 C6 . . 112.4(3) ?
C2 C5 H5 . . 123.8 ?
C6 C5 H5 . . 123.8 ?
C5 C6 C4 . 2_567 128.9(3) ?
C5 C6 H6 . . 115.6 ?
C4 C6 H6 2_567 . 115.6 ?
O4 C7 O3 . . 124.7(3) ?
O4 C7 C8 . . 114.4(3) ?
O3 C7 C8 . . 120.9(3) ?
C9 C8 C11 . . 118.0(3) ?
C9 C8 C7 . . 116.0(3) ?
C11 C8 C7 . . 125.9(3) ?
C8 C9 C10 . . 116.2(3) ?
C8 C9 H9 . . 121.9 ?
C10 C9 H9 . . 121.9 ?
C9 C10 C12 . 2_466 126.7(3) ?
C9 C10 H10 . . 116.7 ?
C12 C10 H10 2_466 . 116.7 ?
C8 C11 C12 . . 127.3(3) ?
C8 C11 H11 . . 116.4 ?
C12 C11 H11 . . 116.4 ?
C12 C12 C11 2_466 . 113.6(4) ?
C12 C12 C10 2_466 2_466 118.2(4) ?
C11 C12 C10 . 2_466 128.2(3) ?
C14 C13 H13A . . 109.5 ?
C14 C13 H13B . . 109.5 ?
H13A C13 H13B . . 109.5 ?
C14 C13 H13C . . 109.5 ?
H13A C13 H13C . . 109.5 ?
H13B C13 H13C . . 109.5 ?
N1 C14 N2 . . 102.7(2) ?
N1 C14 C13 . . 126.1(3) ?
N2 C14 C13 . . 131.2(2) ?
C16 C15 N1 . . 112.9(3) ?
C16 C15 H15 . . 123.5 ?
N1 C15 H15 . . 123.5 ?
C15 C16 N2 . . 98.8(3) ?
C15 C16 H16 . . 130.6 ?
N2 C16 H16 . . 130.6 ?
N2 C17 C22 . . 111.2(3) ?
N2 C17 C18 . . 120.5(3) ?
C22 C17 C18 . . 128.3(2) ?
C19 C18 C17 . . 120.8(3) ?
C19 C18 H18 . . 119.6 ?
C17 C18 H18 . . 119.6 ?
C18 C19 C20 . . 112.2(3) ?
C18 C19 N3 . . 122.6(3) ?
C20 C19 N3 . . 125.2(2) ?
C19 C20 C21 . . 126.0(3) ?
C19 C20 H20 . . 117.0 ?
C21 C20 H20 . . 117.0 ?
C22 C21 C20 . . 123.3(3) ?
C22 C21 H21 . . 118.4 ?
C20 C21 H21 . . 118.4 ?
C21 C22 C17 . . 109.5(3) ?
C21 C22 H22 . . 125.2 ?
C17 C22 H22 . . 125.2 ?
C24 C23 H23A . . 109.5 ?
C24 C23 H23B . . 109.5 ?
H23A C23 H23B . . 109.5 ?
C24 C23 H23C . . 109.5 ?
H23A C23 H23C . . 109.5 ?
H23B C23 H23C . . 109.5 ?
N3 C24 N4 . . 115.8(2) ?
N3 C24 C23 . . 117.4(3) ?
N4 C24 C23 . . 126.8(2) ?
N3 C25 C26 . . 114.8(3) ?
N3 C25 H25 . . 122.6 ?
C26 C25 H25 . . 122.6 ?
N4 C26 C25 . . 104.5(3) ?
N4 C26 H26 . . 127.8 ?
C25 C26 H26 . . 127.8 ?
O6 C27 O5 . . 119.0(3) ?
O6 C27 C28 . . 116.3(3) ?
O5 C27 C28 . . 124.7(3) ?
C29 C28 C31 . . 115.9(3) ?
C29 C28 C27 . . 115.1(3) ?
C31 C28 C27 . . 128.9(3) ?
C28 C29 C30 . . 115.1(3) ?
C28 C29 H29 . . 122.4 ?
C30 C29 H29 . . 122.4 ?
C29 C30 C32 . 2 130.0(3) ?
C29 C30 H30 . . 115.0 ?
C32 C30 H30 2 . 115.0 ?
C28 C31 C32 . . 130.7(3) ?
C28 C31 H31 . . 114.7 ?
C32 C31 H31 . . 114.7 ?
C32 C32 C30 2 2 116.1(4) ?
C32 C32 C31 2 . 112.2(4) ?
C30 C32 C31 2 . 131.7(3) ?
O8 C33 O7 . . 127.2(3) ?
O8 C33 C34 . . 113.1(3) ?
O7 C33 C34 . . 119.7(3) ?
C35 C34 C33 . . 112.3(3) ?
C35 C34 C38 . 2_656 123.9(3) ?
C33 C34 C38 . 2_656 123.8(3) ?
C34 C35 C36 . . 113.0(3) ?
C34 C35 H35 . . 123.5 ?
C36 C35 H35 . . 123.5 ?
C35 C36 C37 . . 113.9(3) ?
C35 C36 C36 . 2_656 123.0(3) ?
C37 C36 C36 . 2_656 123.2(3) ?
C38 C37 C36 . . 112.2(3) ?
C38 C37 H37 . . 123.9 ?
C36 C37 H37 . . 123.9 ?
C37 C38 C34 . 2_656 124.8(3) ?
C37 C38 H38 . . 117.6 ?
C34 C38 H38 2_656 . 117.6 ?
C40 C39 H39A . . 109.5 ?
C40 C39 H39B . . 109.5 ?
H39A C39 H39B . . 109.5 ?
C40 C39 H39C . . 109.5 ?
H39A C39 H39C . . 109.5 ?
H39B C39 H39C . . 109.5 ?
N6 C40 N5 . . 107.5(2) ?
N6 C40 C39 . . 122.6(3) ?
N5 C40 C39 . . 129.8(2) ?
C42 C41 N6 . . 111.3(3) ?
C42 C41 H41 . . 124.3 ?
N6 C41 H41 . . 124.3 ?
C41 C42 N5 . . 102.9(3) ?
C41 C42 H42 . . 128.5 ?
N5 C42 H42 . . 128.5 ?
C44 C43 N6 . . 109.5(3) ?
C44 C43 C48 . . 125.3(2) ?
N6 C43 C48 . . 125.2(3) ?
C43 C44 C45 . . 110.2(3) ?
C43 C44 H44 . . 124.9 ?
C45 C44 H44 . . 124.9 ?
C44 C45 C46 . . 125.7(3) ?
C44 C45 H45 . . 117.1 ?
C46 C45 H45 . . 117.1 ?
C47 C46 C45 . . 122.5(3) ?
C47 C46 H46 . . 118.8 ?
C45 C46 H46 . . 118.8 ?
C46 C47 C48 . . 113.6(3) ?
C46 C47 N7 . . 123.9(2) ?
C48 C47 N7 . . 122.4(3) ?
C47 C48 C43 . . 122.7(3) ?
C47 C48 H48 . . 118.7 ?
C43 C48 H48 . . 118.7 ?
C50 C49 H49A . . 109.5 ?
C50 C49 H49B . . 109.5 ?
H49A C49 H49B . . 109.5 ?
C50 C49 H49C . . 109.5 ?
H49A C49 H49C . . 109.5 ?
H49B C49 H49C . . 109.5 ?
N7 C50 N8 . . 108.3(2) ?
N7 C50 C49 . . 120.7(3) ?
N8 C50 C49 . . 131.0(2) ?
C52 C51 N8 . . 103.8(3) ?
C52 C51 H51 . . 128.1 ?
N8 C51 H51 . . 128.1 ?
C51 C52 N7 . . 111.5(3) ?
C51 C52 H52 . . 124.3 ?
N7 C52 H52 . . 124.3 ?
O9 C53 N9 . . 119.5(5) ?
O9 C53 H53 . . 120.2 ?
N9 C53 H53 . . 120.2 ?
N9 C54 H54A . . 109.5 ?
N9 C54 H54B . . 109.5 ?
H54A C54 H54B . . 109.5 ?
N9 C54 H54C . . 109.5 ?
H54A C54 H54C . . 109.5 ?
H54B C54 H54C . . 109.5 ?
N9 C55 H55A . . 109.5 ?
N9 C55 H55B . . 109.5 ?
H55A C55 H55B . . 109.5 ?
N9 C55 H55C . . 109.5 ?
H55A C55 H55C . . 109.5 ?
H55B C55 H55C . . 109.5 ?
O10 C56 N10 . . 125.8(5) ?
O10 C56 H56 . . 117.1 ?
N10 C56 H56 . . 117.1 ?
N10 C57 H57A . . 109.5 ?
N10 C57 H57B . . 109.5 ?
H57A C57 H57B . . 109.5 ?
N10 C57 H57C . . 109.5 ?
H57A C57 H57C . . 109.5 ?
H57B C57 H57C . . 109.5 ?
N10 C58 H58A . . 109.5 ?
N10 C58 H58B . . 109.5 ?
H58A C58 H58B . . 109.5 ?
N10 C58 H58C . . 109.5 ?
H58A C58 H58C . . 109.5 ?
H58B C58 H58C . . 109.5 ?
C14 N1 C15 . . 109.2(2) ?
C14 N1 Zn1 . . 127.9(2) ?
C15 N1 Zn1 . . 122.92(17) ?
C17 N2 C14 . . 123.3(2) ?
C17 N2 C16 . . 120.2(3) ?
C14 N2 C16 . . 116.4(2) ?
C24 N3 C25 . . 98.8(2) ?
C24 N3 C19 . . 131.0(2) ?
C25 N3 C19 . . 130.1(2) ?
C26 N4 C24 . . 106.1(2) ?
C26 N4 Zn1 . 1_565 120.3(2) ?
C24 N4 Zn1 . 1_565 132.67(18) ?
C42 N5 C40 . . 112.0(2) ?
C42 N5 Zn2 . . 118.6(2) ?
C40 N5 Zn2 . . 128.21(19) ?
C40 N6 C41 . . 106.2(2) ?
C40 N6 C43 . . 124.5(2) ?
C41 N6 C43 . . 129.0(2) ?
C50 N7 C52 . . 105.1(2) ?
C50 N7 C47 . . 124.5(2) ?
C52 N7 C47 . . 130.4(2) ?
C51 N8 C50 . . 111.3(2) ?
C51 N8 Zn2 . 1_565 113.18(19) ?
C50 N8 Zn2 . 1_565 135.53(18) ?
C53 N9 C54 . . 115.3(5) ?
C53 N9 C55 . . 119.6(5) ?
C54 N9 C55 . . 125.0(5) ?
C56 N10 C58 . . 121.8(4) ?
C56 N10 C57 . . 121.3(5) ?
C58 N10 C57 . . 116.8(5) ?
C1 O1 Zn1 . . 103.9(2) ?
C7 O3 Zn1 . . 124.30(18) ?
C27 O5 Zn2 . . 125.67(19) ?
C33 O7 Zn2 . . 116.54(19) ?
O3 Zn1 N1 . . 114.68(10) ?
O3 Zn1 N4 . 1_545 116.16(10) ?
N1 Zn1 N4 . 1_545 107.73(10) ?
O3 Zn1 O1 . . 113.51(10) ?
N1 Zn1 O1 . . 81.85(10) ?
N4 Zn1 O1 1_545 . 117.90(10) ?
N5 Zn2 O7 . . 105.42(11) ?
N5 Zn2 O5 . . 123.31(10) ?
O7 Zn2 O5 . . 114.20(10) ?
N5 Zn2 N8 . 1_545 105.69(10) ?
O7 Zn2 N8 . 1_545 97.01(10) ?
O5 Zn2 N8 . 1_545 107.74(10) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C4 C4 2_567 1.340(5) ?
C4 C3 . 1.437(4) ?
C4 C6 2_567 1.532(5) ?
C1 O1 . 1.190(4) ?
C1 O2 . 1.335(4) ?
C1 C2 . 1.538(4) ?
C2 C5 . 1.326(4) ?
C2 C3 . 1.486(4) ?
C3 H3 . 0.9300 ?
C5 C6 . 1.398(4) ?
C5 H5 . 0.9300 ?
C6 C4 2_567 1.532(5) ?
C6 H6 . 0.9300 ?
C7 O4 . 1.186(4) ?
C7 O3 . 1.379(4) ?
C7 C8 . 1.527(4) ?
C8 C9 . 1.338(4) ?
C8 C11 . 1.419(4) ?
C9 C10 . 1.381(5) ?
C9 H9 . 0.9300 ?
C10 C12 2_466 1.468(5) ?
C10 H10 . 0.9300 ?
C11 C12 . 1.453(4) ?
C11 H11 . 0.9300 ?
C12 C12 2_466 1.338(6) ?
C12 C10 2_466 1.468(5) ?
C13 C14 . 1.584(4) ?
C13 H13A . 0.9600 ?
C13 H13B . 0.9600 ?
C13 H13C . 0.9600 ?
C14 N1 . 1.257(3) ?
C14 N2 . 1.407(4) ?
C15 C16 . 1.280(4) ?
C15 N1 . 1.500(4) ?
C15 H15 . 0.9300 ?
C16 N2 . 1.431(4) ?
C16 H16 . 0.9300 ?
C17 N2 . 1.349(3) ?
C17 C22 . 1.361(4) ?
C17 C18 . 1.497(4) ?
C18 C19 . 1.299(4) ?
C18 H18 . 0.9300 ?
C19 C20 . 1.354(4) ?
C19 N3 . 1.559(4) ?
C20 C21 . 1.496(5) ?
C20 H20 . 0.9300 ?
C21 C22 . 1.300(4) ?
C21 H21 . 0.9300 ?
C22 H22 . 0.9300 ?
C23 C24 . 1.419(4) ?
C23 H23A . 0.9600 ?
C23 H23B . 0.9600 ?
C23 H23C . 0.9600 ?
C24 N3 . 1.316(4) ?
C24 N4 . 1.416(4) ?
C25 N3 . 1.360(4) ?
C25 C26 . 1.425(5) ?
C25 H25 . 0.9300 ?
C26 N4 . 1.284(4) ?
C26 H26 . 0.9300 ?
C27 O6 . 1.092(4) ?
C27 O5 . 1.300(4) ?
C27 C28 . 1.557(4) ?
C28 C29 . 1.274(4) ?
C28 C31 . 1.435(4) ?
C29 C30 . 1.415(5) ?
C29 H29 . 0.9300 ?
C30 C32 2 1.482(5) ?
C30 H30 . 0.9300 ?
C31 C32 . 1.484(4) ?
C31 H31 . 0.9300 ?
C32 C32 2 1.290(6) ?
C32 C30 2 1.482(5) ?
C33 O8 . 1.205(4) ?
C33 O7 . 1.357(4) ?
C33 C34 . 1.462(4) ?
C34 C35 . 1.333(4) ?
C34 C38 2_656 1.543(5) ?
C35 C36 . 1.369(4) ?
C35 H35 . 0.9300 ?
C36 C37 . 1.375(4) ?
C36 C36 2_656 1.550(6) ?
C37 C38 . 1.334(4) ?
C37 H37 . 0.9300 ?
C38 C34 2_656 1.542(5) ?
C38 H38 . 0.9300 ?
C39 C40 . 1.445(4) ?
C39 H39A . 0.9600 ?
C39 H39B . 0.9600 ?
C39 H39C . 0.9600 ?
C40 N6 . 1.237(3) ?
C40 N5 . 1.321(3) ?
C41 C42 . 1.273(4) ?
C41 N6 . 1.370(4) ?
C41 H41 . 0.9300 ?
C42 N5 . 1.308(4) ?
C42 H42 . 0.9300 ?
C43 C44 . 1.324(4) ?
C43 N6 . 1.390(3) ?
C43 C48 . 1.497(4) ?
C44 C45 . 1.333(4) ?
C44 H44 . 0.9300 ?
C45 C46 . 1.496(5) ?
C45 H45 . 0.9300 ?
C46 C47 . 1.314(4) ?
C46 H46 . 0.9300 ?
C47 C48 . 1.329(4) ?
C47 N7 . 1.564(4) ?
C48 H48 . 0.9300 ?
C49 C50 . 1.604(4) ?
C49 H49A . 0.9600 ?
C49 H49B . 0.9600 ?
C49 H49C . 0.9600 ?
C50 N7 . 1.365(4) ?
C50 N8 . 1.461(4) ?
C51 C52 . 1.396(5) ?
C51 N8 . 1.428(4) ?
C51 H51 . 0.9300 ?
C52 N7 . 1.517(4) ?
C52 H52 . 0.9300 ?
C53 O9 . 1.313(6) ?
C53 N9 . 1.336(6) ?
C53 H53 . 0.9300 ?
C54 N9 . 1.476(7) ?
C54 H54A . 0.9600 ?
C54 H54B . 0.9600 ?
C54 H54C . 0.9600 ?
C55 N9 . 1.580(7) ?
C55 H55A . 0.9600 ?
C55 H55B . 0.9600 ?
C55 H55C . 0.9600 ?
C56 O10 . 1.243(6) ?
C56 N10 . 1.354(6) ?
C56 H56 . 0.9300 ?
C57 N10 . 1.409(6) ?
C57 H57A . 0.9600 ?
C57 H57B . 0.9600 ?
C57 H57C . 0.9600 ?
C58 N10 . 1.358(6) ?
C58 H58A . 0.9600 ?
C58 H58B . 0.9600 ?
C58 H58C . 0.9600 ?
N1 Zn1 . 1.990(3) ?
N4 Zn1 1_565 2.043(2) ?
N5 Zn2 . 1.895(2) ?
N8 Zn2 1_565 2.107(3) ?
O1 Zn1 . 2.055(3) ?
O3 Zn1 . 1.978(2) ?
O5 Zn2 . 1.982(2) ?
O7 Zn2 . 1.944(2) ?
Zn1 N4 1_545 2.043(2) ?
Zn2 N8 1_545 2.107(3) ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C13 H13A O4 2_566 0.96 2.38 3.202(5) 143.9
C16 H16 O8 2_666 0.93 2.57 3.401(5) 149.4
C18 H18 O10 2_566 0.93 2.12 2.924(5) 143.5
C23 H23C O10 2_566 0.96 2.56 3.331(6) 136.9
C46 H46 O6 2_665 0.93 2.49 3.340(4) 151.9
C48 H48 O9 . 0.93 2.37 3.108(5) 135.7
C49 H49A O6 2_665 0.96 2.11 2.926(4) 142.1
C52 H52 O2 2_666 0.93 2.52 3.361(5) 151.3
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O1 C1 C2 C5 . . . . -169.1(3) ?
O2 C1 C2 C5 . . . . 10.9(5) ?
O1 C1 C2 C3 . . . . 10.9(4) ?
O2 C1 C2 C3 . . . . -169.1(3) ?
C4 C4 C3 C2 2_567 . . . 1.0(5) ?
C6 C4 C3 C2 2_567 . . . -179.6(3) ?
C5 C2 C3 C4 . . . . -0.2(5) ?
C1 C2 C3 C4 . . . . 179.8(3) ?
C3 C2 C5 C6 . . . . -0.9(4) ?
C1 C2 C5 C6 . . . . 179.1(3) ?
C2 C5 C6 C4 . . . 2_567 1.4(5) ?
O4 C7 C8 C9 . . . . 168.0(3) ?
O3 C7 C8 C9 . . . . -12.5(4) ?
O4 C7 C8 C11 . . . . -13.0(4) ?
O3 C7 C8 C11 . . . . 166.5(3) ?
C11 C8 C9 C10 . . . . -0.1(4) ?
C7 C8 C9 C10 . . . . 179.0(3) ?
C8 C9 C10 C12 . . . 2_466 -0.8(5) ?
C9 C8 C11 C12 . . . . 1.3(5) ?
C7 C8 C11 C12 . . . . -177.7(3) ?
C8 C11 C12 C12 . . . 2_466 -1.5(5) ?
C8 C11 C12 C10 . . . 2_466 179.0(3) ?
N1 C15 C16 N2 . . . . 0.7(4) ?
N2 C17 C18 C19 . . . . 178.4(3) ?
C22 C17 C18 C19 . . . . 0.7(5) ?
C17 C18 C19 C20 . . . . -0.6(4) ?
C17 C18 C19 N3 . . . . -179.1(2) ?
C18 C19 C20 C21 . . . . -0.1(4) ?
N3 C19 C20 C21 . . . . 178.4(3) ?
C19 C20 C21 C22 . . . . 1.0(5) ?
C20 C21 C22 C17 . . . . -0.9(5) ?
N2 C17 C22 C21 . . . . -177.7(3) ?
C18 C17 C22 C21 . . . . 0.2(5) ?
N3 C25 C26 N4 . . . . -0.1(4) ?
O6 C27 C28 C29 . . . . -166.9(3) ?
O5 C27 C28 C29 . . . . 14.7(4) ?
O6 C27 C28 C31 . . . . 14.1(5) ?
O5 C27 C28 C31 . . . . -164.3(3) ?
C31 C28 C29 C30 . . . . 0.2(4) ?
C27 C28 C29 C30 . . . . -178.9(3) ?
C28 C29 C30 C32 . . . 2 0.4(5) ?
C29 C28 C31 C32 . . . . -1.2(5) ?
C27 C28 C31 C32 . . . . 177.8(3) ?
C28 C31 C32 C32 . . . 2 1.4(5) ?
C28 C31 C32 C30 . . . 2 -179.4(3) ?
O8 C33 C34 C35 . . . . 169.5(3) ?
O7 C33 C34 C35 . . . . -10.5(4) ?
O8 C33 C34 C38 . . . 2_656 -10.5(4) ?
O7 C33 C34 C38 . . . 2_656 169.5(3) ?
C33 C34 C35 C36 . . . . -179.9(3) ?
C38 C34 C35 C36 2_656 . . . 0.1(4) ?
C34 C35 C36 C37 . . . . 179.7(3) ?
C34 C35 C36 C36 . . . 2_656 -0.9(5) ?
C35 C36 C37 C38 . . . . 178.8(3) ?
C36 C36 C37 C38 2_656 . . . -0.6(5) ?
C36 C37 C38 C34 . . . 2_656 1.4(5) ?
N6 C41 C42 N5 . . . . 0.3(5) ?
N6 C43 C44 C45 . . . . -178.4(3) ?
C48 C43 C44 C45 . . . . -0.1(4) ?
C43 C44 C45 C46 . . . . -0.6(5) ?
C44 C45 C46 C47 . . . . 0.4(5) ?
C45 C46 C47 C48 . . . . 0.6(4) ?
C45 C46 C47 N7 . . . . 177.6(3) ?
C46 C47 C48 C43 . . . . -1.3(4) ?
N7 C47 C48 C43 . . . . -178.3(2) ?
C44 C43 C48 C47 . . . . 1.1(5) ?
N6 C43 C48 C47 . . . . 179.1(3) ?
N8 C51 C52 N7 . . . . 0.1(4) ?
N2 C14 N1 C15 . . . . -0.2(3) ?
C13 C14 N1 C15 . . . . -177.6(3) ?
N2 C14 N1 Zn1 . . . . -178.69(18) ?
C13 C14 N1 Zn1 . . . . 3.9(4) ?
C16 C15 N1 C14 . . . . -0.4(4) ?
C16 C15 N1 Zn1 . . . . 178.2(3) ?
C22 C17 N2 C14 . . . . -59.1(4) ?
C18 C17 N2 C14 . . . . 122.9(3) ?
C22 C17 N2 C16 . . . . 122.4(3) ?
C18 C17 N2 C16 . . . . -55.7(4) ?
N1 C14 N2 C17 . . . . -177.9(3) ?
C13 C14 N2 C17 . . . . -0.8(5) ?
N1 C14 N2 C16 . . . . 0.7(3) ?
C13 C14 N2 C16 . . . . 177.9(3) ?
C15 C16 N2 C17 . . . . 177.8(3) ?
C15 C16 N2 C14 . . . . -0.9(4) ?
N4 C24 N3 C25 . . . . 0.1(3) ?
C23 C24 N3 C25 . . . . 179.1(3) ?
N4 C24 N3 C19 . . . . -176.3(2) ?
C23 C24 N3 C19 . . . . 2.7(5) ?
C26 C25 N3 C24 . . . . 0.0(4) ?
C26 C25 N3 C19 . . . . 176.5(3) ?
C18 C19 N3 C24 . . . . -61.8(4) ?
C20 C19 N3 C24 . . . . 119.8(3) ?
C18 C19 N3 C25 . . . . 122.9(4) ?
C20 C19 N3 C25 . . . . -55.5(5) ?
C25 C26 N4 C24 . . . . 0.2(3) ?
C25 C26 N4 Zn1 . . . 1_565 -169.9(2) ?
N3 C24 N4 C26 . . . . -0.1(4) ?
C23 C24 N4 C26 . . . . -179.1(3) ?
N3 C24 N4 Zn1 . . . 1_565 168.1(2) ?
C23 C24 N4 Zn1 . . . 1_565 -10.8(4) ?
C41 C42 N5 C40 . . . . 0.0(4) ?
C41 C42 N5 Zn2 . . . . 168.6(3) ?
N6 C40 N5 C42 . . . . -0.3(4) ?
C39 C40 N5 C42 . . . . 178.6(4) ?
N6 C40 N5 Zn2 . . . . -167.5(2) ?
C39 C40 N5 Zn2 . . . . 11.4(5) ?
N5 C40 N6 C41 . . . . 0.5(4) ?
C39 C40 N6 C41 . . . . -178.5(3) ?
N5 C40 N6 C43 . . . . 175.6(3) ?
C39 C40 N6 C43 . . . . -3.4(5) ?
C42 C41 N6 C40 . . . . -0.5(5) ?
C42 C41 N6 C43 . . . . -175.3(3) ?
C44 C43 N6 C40 . . . . -120.7(3) ?
C48 C43 N6 C40 . . . . 61.0(4) ?
C44 C43 N6 C41 . . . . 53.2(5) ?
C48 C43 N6 C41 . . . . -125.0(4) ?
N8 C50 N7 C52 . . . . -0.2(3) ?
C49 C50 N7 C52 . . . . -178.4(2) ?
N8 C50 N7 C47 . . . . 178.4(2) ?
C49 C50 N7 C47 . . . . 0.2(4) ?
C51 C52 N7 C50 . . . . 0.0(3) ?
C51 C52 N7 C47 . . . . -178.4(3) ?
C46 C47 N7 C50 . . . . 65.1(4) ?
C48 C47 N7 C50 . . . . -118.2(3) ?
C46 C47 N7 C52 . . . . -116.8(4) ?
C48 C47 N7 C52 . . . . 60.0(4) ?
C52 C51 N8 C50 . . . . -0.2(3) ?
C52 C51 N8 Zn2 . . . 1_565 -178.9(2) ?
N7 C50 N8 C51 . . . . 0.3(3) ?
C49 C50 N8 C51 . . . . 178.2(3) ?
N7 C50 N8 Zn2 . . . 1_565 178.46(18) ?
C49 C50 N8 Zn2 . . . 1_565 -3.6(4) ?
O9 C53 N9 C54 . . . . 174.5(4) ?
O9 C53 N9 C55 . . . . -1.9(6) ?
O10 C56 N10 C58 . . . . 172.1(6) ?
O10 C56 N10 C57 . . . . -3.8(8) ?
O2 C1 O1 Zn1 . . . . 6.8(4) ?
C2 C1 O1 Zn1 . . . . -173.20(18) ?
O4 C7 O3 Zn1 . . . . 9.0(4) ?
C8 C7 O3 Zn1 . . . . -170.48(18) ?
O6 C27 O5 Zn2 . . . . -9.1(4) ?
C28 C27 O5 Zn2 . . . . 169.3(2) ?
O8 C33 O7 Zn2 . . . . -7.8(4) ?
C34 C33 O7 Zn2 . . . . 172.2(2) ?
C42 N5 Zn2 O7 . . . . 94.7(3) ?
C40 N5 Zn2 O7 . . . . -98.8(3) ?
C42 N5 Zn2 O5 . . . . -131.6(3) ?
C40 N5 Zn2 O5 . . . . 34.8(3) ?
C42 N5 Zn2 N8 . . . 1_545 -7.3(3) ?
C40 N5 Zn2 N8 . . . 1_545 159.1(2) ?

_cod_database_fobs_code 2022216
