#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/68/2016873.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_2016873
loop_
_publ_author_name
'Wang, Xiu-Yan'
'Wang, Jia-Jun'
'Ng, Seik Weng'
_publ_section_title
;
 Influence of nitrogen-containing chelating ligands on the structures
 of zinc(II) 4,4'-ethylenedibenzoates
;
_journal_coeditor_code           SK3269
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m401
_journal_page_last               m404
_journal_paper_doi               10.1107/S0108270108038328
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac
'[Zn2 (C2 H3 O2)2 (C16 H10 O4) (C18 H10 N4)2 (H2 O)2], 2H2 O'
_chemical_formula_moiety         'C56 H40 N8 O10 Zn2, 2(H2 O)'
_chemical_formula_sum            'C56 H44 N8 O12 Zn2'
_chemical_formula_weight         1151.73
_chemical_name_systematic
;
μ-4,4'-ethylenedicarboxylato-bis[acetatoaqua(dipyrido[3,2-a:2',3'-
c]phenazine)zinc(II)] dihydrate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 98.391(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.1521(12)
_cell_length_b                   11.9082(11)
_cell_length_c                   15.9668(15)
_cell_measurement_reflns_used    4853
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.99
_cell_measurement_theta_min      1.08
_cell_volume                     2473.9(4)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX diffractometer'
_diffrn_measurement_method       'φ and ω 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  0.0556
_diffrn_reflns_av_sigmaI/netI    0.0699
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            13276
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         1.88
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.046
_exptl_absorpt_correction_T_max  0.755
_exptl_absorpt_correction_T_min  0.701
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.546
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.27
_refine_diff_density_max         0.974
_refine_diff_density_min         -0.316
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     368
_refine_ls_number_reflns         4853
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0863
_refine_ls_R_factor_gt           0.0459
_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)+(0.0509P)²+0.3893P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1006
_refine_ls_wR_factor_ref         0.1156
_reflns_number_gt                3145
_reflns_number_total             4853
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            sk3269.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2016873
_cod_database_fobs_code          2016873
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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_refinement_flags
_atom_site_occupancy
C C1 1.1960(3) 0.2598(3) 0.7662(2) 0.0391(10) Uani d . 1
H H1 1.2227 0.2363 0.8205 0.047 Uiso calc R 1
C C2 1.2583(3) 0.3210(3) 0.7205(2) 0.0387(10) Uani d . 1
H H2 1.3248 0.3400 0.7445 0.046 Uiso calc R 1
C C3 1.2210(3) 0.3536(3) 0.6392(2) 0.0362(9) Uani d . 1
H H3 1.2620 0.3947 0.6075 0.043 Uiso calc R 1
C C4 1.1203(3) 0.3242(3) 0.6047(2) 0.0288(8) Uani d . 1
C C5 1.0621(2) 0.2653(3) 0.6559(2) 0.0260(8) Uani d . 1
C C6 0.9543(2) 0.2354(3) 0.6260(2) 0.0248(8) Uani d . 1
C C7 0.9085(2) 0.2682(3) 0.5453(2) 0.0265(8) Uani d . 1
C C8 0.8049(3) 0.2408(3) 0.5223(2) 0.0332(9) Uani d . 1
H H8 0.7708 0.2618 0.4695 0.040 Uiso calc R 1
C C9 0.7534(3) 0.1831(3) 0.5775(2) 0.0352(9) Uani d . 1
H H9 0.6846 0.1640 0.5626 0.042 Uiso calc R 1
C C10 0.8065(3) 0.1539(3) 0.6560(2) 0.0306(8) Uani d . 1
H H10 0.7718 0.1143 0.6933 0.037 Uiso calc R 1
C C11 0.9694(3) 0.3267(3) 0.4896(2) 0.0280(8) Uani d . 1
C C12 1.0743(3) 0.3544(3) 0.5183(2) 0.0273(8) Uani d . 1
C C13 1.0871(3) 0.4338(3) 0.3895(2) 0.0312(8) Uani d . 1
C C14 0.9822(3) 0.4082(3) 0.3616(2) 0.0300(8) Uani d . 1
C C15 0.9365(3) 0.4426(3) 0.2792(2) 0.0382(9) Uani d . 1
H H15 0.8676 0.4275 0.2602 0.046 Uiso calc R 1
C C16 0.9949(3) 0.4979(3) 0.2287(2) 0.0436(11) Uani d . 1
H H16 0.9651 0.5210 0.1750 0.052 Uiso calc R 1
C C17 1.0998(3) 0.5209(3) 0.2562(2) 0.0400(10) Uani d . 1
H H17 1.1381 0.5582 0.2203 0.048 Uiso calc R 1
C C18 1.1449(3) 0.4894(3) 0.3337(2) 0.0403(10) Uani d . 1
H H18 1.2143 0.5042 0.3508 0.048 Uiso calc R 1
C C19 0.9122(3) 0.2949(3) 0.9302(2) 0.0367(9) Uani d . 1
C C20 0.8166(3) 0.3448(3) 0.9548(2) 0.0335(9) Uani d . 1
C C21 0.8161(3) 0.3905(3) 1.0340(2) 0.0429(10) Uani d . 1
H H21 0.8761 0.3897 1.0729 0.052 Uiso calc R 1
C C22 0.7276(3) 0.4378(3) 1.0566(3) 0.0449(10) Uani d . 1
H H22 0.7293 0.4691 1.1101 0.054 Uiso calc R 1
C C23 0.6363(3) 0.4390(3) 1.0000(2) 0.0366(9) Uani d . 1
C C24 0.6372(3) 0.3898(3) 0.9203(2) 0.0372(9) Uani d . 1
H H24 0.5770 0.3882 0.8817 0.045 Uiso calc R 1
C C25 0.7248(3) 0.3443(3) 0.8986(2) 0.0347(9) Uani d . 1
H H25 0.7233 0.3122 0.8453 0.042 Uiso calc R 1
C C26 0.5445(3) 0.4913(3) 1.0252(2) 0.0397(10) Uani d . 1
H H26 0.5486 0.5143 1.0813 0.048 Uiso calc R 1
C C27 0.9690(3) -0.0637(3) 0.8031(2) 0.0339(9) Uani d . 1
C C28 0.9534(3) -0.1872(3) 0.8150(3) 0.0522(11) Uani d . 1
H H28A 0.8965 -0.1985 0.8456 0.078 Uiso calc R 1
H H28B 1.0144 -0.2190 0.8464 0.078 Uiso calc R 1
H H28C 0.9391 -0.2230 0.7607 0.078 Uiso calc R 1
N N1 1.0988(2) 0.2329(2) 0.73566(17) 0.0287(7) Uani d . 1
N N2 0.9046(2) 0.1798(2) 0.68043(18) 0.0275(7) Uani d . 1
N N3 0.9244(2) 0.3537(2) 0.41198(17) 0.0318(7) Uani d . 1
N N4 1.1320(2) 0.4061(2) 0.46899(18) 0.0316(7) Uani d . 1
O O1 0.90388(18) 0.2547(2) 0.85523(15) 0.0367(6) Uani d . 1
O O2 0.9939(2) 0.2967(2) 0.98203(17) 0.0499(7) Uani d . 1
O O1W 1.1021(2) 0.1477(3) 0.91089(15) 0.0368(6) Uani d D 1
H HW11 1.072(3) 0.196(2) 0.939(2) 0.052(15) Uiso d D 1
H HW12 1.115(3) 0.091(2) 0.943(2) 0.055(14) Uiso d D 1
O O3 0.91071(19) 0.0049(2) 0.83334(16) 0.0390(6) Uani d . 1
O O2W 1.1392(3) -0.0398(3) 1.00433(18) 0.0506(8) Uani d D 1
H HW21 1.116(4) -0.022(4) 1.049(2) 0.10(2) Uiso d D 1
H HW22 1.201(2) -0.059(6) 1.019(4) 0.19(4) Uiso d D 1
O O4 1.03961(19) -0.0296(2) 0.76466(16) 0.0413(7) Uani d . 1
Zn Zn1 0.99354(3) 0.14710(4) 0.80232(3) 0.03063(15) 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
_geom_angle_publ_flag
N1 C1 C2 . 122.9(3) ?
N1 C1 H1 . 118.6 ?
C2 C1 H1 . 118.6 ?
C3 C2 C1 . 119.3(3) ?
C3 C2 H2 . 120.3 ?
C1 C2 H2 . 120.3 ?
C2 C3 C4 . 119.1(3) ?
C2 C3 H3 . 120.5 ?
C4 C3 H3 . 120.5 ?
C5 C4 C3 . 117.7(3) ?
C5 C4 C12 . 119.4(3) ?
C3 C4 C12 . 122.9(3) ?
N1 C5 C4 . 123.2(3) ?
N1 C5 C6 . 115.5(3) ?
C4 C5 C6 . 121.2(3) ?
N2 C6 C7 . 123.5(3) ?
N2 C6 C5 . 116.6(3) ?
C7 C6 C5 . 119.8(3) ?
C6 C7 C8 . 116.8(3) ?
C6 C7 C11 . 119.7(3) ?
C8 C7 C11 . 123.5(3) ?
C9 C8 C7 . 120.2(3) ?
C9 C8 H8 . 119.9 ?
C7 C8 H8 . 119.9 ?
C8 C9 C10 . 118.4(3) ?
C8 C9 H9 . 120.8 ?
C10 C9 H9 . 120.8 ?
N2 C10 C9 . 123.1(3) ?
N2 C10 H10 . 118.5 ?
C9 C10 H10 . 118.5 ?
N3 C11 C12 . 121.3(3) ?
N3 C11 C7 . 118.3(3) ?
C12 C11 C7 . 120.3(3) ?
N4 C12 C11 . 121.8(3) ?
N4 C12 C4 . 118.7(3) ?
C11 C12 C4 . 119.5(3) ?
N4 C13 C18 . 120.0(3) ?
N4 C13 C14 . 120.6(3) ?
C18 C13 C14 . 119.3(3) ?
N3 C14 C13 . 121.5(3) ?
N3 C14 C15 . 119.3(3) ?
C13 C14 C15 . 119.2(3) ?
C16 C15 C14 . 119.2(4) ?
C16 C15 H15 . 120.4 ?
C14 C15 H15 . 120.4 ?
C15 C16 C17 . 121.3(4) ?
C15 C16 H16 . 119.4 ?
C17 C16 H16 . 119.4 ?
C18 C17 C16 . 120.8(4) ?
C18 C17 H17 . 119.6 ?
C16 C17 H17 . 119.6 ?
C17 C18 C13 . 120.2(4) ?
C17 C18 H18 . 119.9 ?
C13 C18 H18 . 119.9 ?
O2 C19 O1 . 124.8(4) ?
O2 C19 C20 . 119.4(3) ?
O1 C19 C20 . 115.8(3) ?
C21 C20 C25 . 118.2(4) ?
C21 C20 C19 . 121.0(3) ?
C25 C20 C19 . 120.7(3) ?
C20 C21 C22 . 121.0(4) ?
C20 C21 H21 . 119.5 ?
C22 C21 H21 . 119.5 ?
C21 C22 C23 . 120.8(4) ?
C21 C22 H22 . 119.6 ?
C23 C22 H22 . 119.6 ?
C22 C23 C24 . 117.6(4) ?
C22 C23 C26 . 119.5(3) ?
C24 C23 C26 . 122.9(4) ?
C25 C24 C23 . 121.1(4) ?
C25 C24 H24 . 119.5 ?
C23 C24 H24 . 119.5 ?
C24 C25 C20 . 121.2(3) ?
C24 C25 H25 . 119.4 ?
C20 C25 H25 . 119.4 ?
C26 C26 C23 3_667 125.8(5) ?
C26 C26 H26 3_667 117.1 ?
C23 C26 H26 . 117.1 ?
O4 C27 O3 . 120.8(4) ?
O4 C27 C28 . 120.3(4) ?
O3 C27 C28 . 118.8(3) ?
O4 C27 Zn1 . 64.7(2) ?
O3 C27 Zn1 . 56.33(19) ?
C28 C27 Zn1 . 172.9(3) ?
C27 C28 H28A . 109.5 ?
C27 C28 H28B . 109.5 ?
H28A C28 H28B . 109.5 ?
C27 C28 H28C . 109.5 ?
H28A C28 H28C . 109.5 ?
H28B C28 H28C . 109.5 ?
C1 N1 C5 . 117.7(3) ?
C1 N1 Zn1 . 126.1(2) ?
C5 N1 Zn1 . 116.1(2) ?
C10 N2 C6 . 118.1(3) ?
C10 N2 Zn1 . 126.8(2) ?
C6 N2 Zn1 . 115.1(2) ?
C11 N3 C14 . 117.3(3) ?
C12 N4 C13 . 117.4(3) ?
C19 O1 Zn1 . 131.1(2) ?
Zn1 O1W HW11 . 97(3) ?
Zn1 O1W HW12 . 124(3) ?
HW11 O1W HW12 . 106(2) ?
C27 O3 Zn1 . 93.8(2) ?
HW21 O2W HW22 . 106(3) ?
C27 O4 Zn1 . 85.7(2) ?
O1 Zn1 O1W . 91.20(11) y
O1 Zn1 O3 . 93.34(10) y
O1W Zn1 O3 . 97.04(10) y
O1 Zn1 N1 . 111.64(11) y
O1W Zn1 N1 . 89.85(10) y
O3 Zn1 N1 . 153.98(11) y
O1 Zn1 N2 . 89.42(10) y
O1W Zn1 N2 . 165.64(11) y
O3 Zn1 N2 . 97.25(10) y
N1 Zn1 N2 . 76.61(10) y
O1 Zn1 O4 . 152.73(10) y
O1W Zn1 O4 . 92.66(11) y
O3 Zn1 O4 . 59.40(10) y
N1 Zn1 O4 . 95.36(10) y
N2 Zn1 O4 . 93.35(10) y
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
C1 N1 . 1.339(4) ?
C1 C2 . 1.382(5) ?
C1 H1 . 0.9300 ?
C2 C3 . 1.374(5) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.403(5) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.389(4) ?
C4 C12 . 1.468(4) ?
C5 N1 . 1.350(4) ?
C5 C6 . 1.472(4) ?
C6 N2 . 1.337(4) ?
C6 C7 . 1.396(4) ?
C7 C8 . 1.397(5) ?
C7 C11 . 1.458(5) ?
C8 C9 . 1.371(5) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.388(5) ?
C9 H9 . 0.9300 ?
C10 N2 . 1.328(4) ?
C10 H10 . 0.9300 ?
C11 N3 . 1.332(4) ?
C11 C12 . 1.429(5) ?
C12 N4 . 1.323(4) ?
C13 N4 . 1.361(4) ?
C13 C18 . 1.416(5) ?
C13 C14 . 1.421(5) ?
C14 N3 . 1.350(4) ?
C14 C15 . 1.424(5) ?
C15 C16 . 1.363(5) ?
C15 H15 . 0.9300 ?
C16 C17 . 1.412(5) ?
C16 H16 . 0.9300 ?
C17 C18 . 1.347(5) ?
C17 H17 . 0.9300 ?
C18 H18 . 0.9300 ?
C19 O2 . 1.257(4) ?
C19 O1 . 1.278(4) ?
C19 C20 . 1.495(5) ?
C20 C21 . 1.377(5) ?
C20 C25 . 1.395(5) ?
C21 C22 . 1.387(5) ?
C21 H21 . 0.9300 ?
C22 C23 . 1.394(5) ?
C22 H22 . 0.9300 ?
C23 C24 . 1.402(5) ?
C23 C26 . 1.466(5) ?
C24 C25 . 1.363(5) ?
C24 H24 . 0.9300 ?
C25 H25 . 0.9300 ?
C26 C26 3_667 1.337(7) ?
C26 H26 . 0.9300 ?
C27 O4 . 1.253(4) ?
C27 O3 . 1.264(4) ?
C27 C28 . 1.501(5) ?
C28 H28A . 0.9600 ?
C28 H28B . 0.9600 ?
C28 H28C . 0.9600 ?
O1W HW11 . 0.854(18) ?
O1W HW12 . 0.856(18) ?
O2W HW21 . 0.84(4) ?
O2W HW22 . 0.84(2) ?
Zn1 N1 . 2.127(3) y
Zn1 N2 . 2.155(3) y
Zn1 O1 . 2.009(2) y
Zn1 O3 . 2.111(3) y
Zn1 O4 . 2.294(3) y
Zn1 O1W . 2.079(2) y
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
O1W HW12 O2W . 0.856(18) 1.837(18) 2.690(4) 175(4)
O1W HW11 O2 . 0.854(18) 1.788(18) 2.634(4) 170(4)
O2W HW21 O3 3_757 0.84(4) 1.97(2) 2.796(4) 166(5)
O2W HW22 N4 2_746 0.84(2) 2.22(2) 3.045(4) 168(6)
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_4
_geom_torsion
N1 C1 C2 C3 . -1.9(6)
C1 C2 C3 C4 . 0.2(6)
C2 C3 C4 C5 . 1.6(5)
C2 C3 C4 C12 . -179.4(3)
C3 C4 C5 N1 . -1.8(5)
C12 C4 C5 N1 . 179.1(3)
C3 C4 C5 C6 . 177.3(3)
C12 C4 C5 C6 . -1.7(5)
N1 C5 C6 N2 . 0.0(4)
C4 C5 C6 N2 . -179.2(3)
N1 C5 C6 C7 . 178.0(3)
C4 C5 C6 C7 . -1.1(5)
N2 C6 C7 C8 . 0.4(5)
C5 C6 C7 C8 . -177.6(3)
N2 C6 C7 C11 . -178.8(3)
C5 C6 C7 C11 . 3.3(5)
C6 C7 C8 C9 . -0.9(5)
C11 C7 C8 C9 . 178.3(3)
C7 C8 C9 C10 . 0.5(5)
C8 C9 C10 N2 . 0.4(5)
C6 C7 C11 N3 . 177.9(3)
C8 C7 C11 N3 . -1.3(5)
C6 C7 C11 C12 . -2.5(5)
C8 C7 C11 C12 . 178.4(3)
N3 C11 C12 N4 . -1.3(5)
C7 C11 C12 N4 . 179.1(3)
N3 C11 C12 C4 . 179.2(3)
C7 C11 C12 C4 . -0.4(5)
C5 C4 C12 N4 . -177.0(3)
C3 C4 C12 N4 . 4.0(5)
C5 C4 C12 C11 . 2.5(5)
C3 C4 C12 C11 . -176.5(3)
N4 C13 C14 N3 . -1.4(5)
C18 C13 C14 N3 . 179.0(3)
N4 C13 C14 C15 . 177.4(3)
C18 C13 C14 C15 . -2.2(5)
N3 C14 C15 C16 . 179.7(3)
C13 C14 C15 C16 . 0.9(5)
C14 C15 C16 C17 . 0.5(6)
C15 C16 C17 C18 . -0.6(6)
C16 C17 C18 C13 . -0.8(6)
N4 C13 C18 C17 . -177.4(3)
C14 C13 C18 C17 . 2.2(5)
O2 C19 C20 C21 . -1.3(6)
O1 C19 C20 C21 . 179.9(3)
O2 C19 C20 C25 . 179.9(3)
O1 C19 C20 C25 . 1.1(5)
C25 C20 C21 C22 . -1.8(6)
C19 C20 C21 C22 . 179.3(4)
C20 C21 C22 C23 . 0.8(6)
C21 C22 C23 C24 . 0.7(6)
C21 C22 C23 C26 . -179.0(4)
C22 C23 C24 C25 . -1.2(6)
C26 C23 C24 C25 . 178.5(3)
C23 C24 C25 C20 . 0.1(6)
C21 C20 C25 C24 . 1.4(6)
C19 C20 C25 C24 . -179.8(3)
C22 C23 C26 C26 3_667 172.6(5)
C24 C23 C26 C26 3_667 -7.1(7)
C2 C1 N1 C5 . 1.7(5)
C2 C1 N1 Zn1 . -176.5(3)
C4 C5 N1 C1 . 0.2(5)
C6 C5 N1 C1 . -179.0(3)
C4 C5 N1 Zn1 . 178.6(3)
C6 C5 N1 Zn1 . -0.6(4)
C9 C10 N2 C6 . -0.9(5)
C9 C10 N2 Zn1 . 176.7(3)
C7 C6 N2 C10 . 0.5(5)
C5 C6 N2 C10 . 178.5(3)
C7 C6 N2 Zn1 . -177.4(3)
C5 C6 N2 Zn1 . 0.6(4)
C12 C11 N3 C14 . 0.2(5)
C7 C11 N3 C14 . 179.8(3)
C13 C14 N3 C11 . 1.1(5)
C15 C14 N3 C11 . -177.7(3)
C11 C12 N4 C13 . 1.0(5)
C4 C12 N4 C13 . -179.5(3)
C18 C13 N4 C12 . 179.9(3)
C14 C13 N4 C12 . 0.3(5)
O2 C19 O1 Zn1 . 19.1(6)
C20 C19 O1 Zn1 . -162.2(2)
O4 C27 O3 Zn1 . -5.3(3)
C28 C27 O3 Zn1 . 173.8(3)
O3 C27 O4 Zn1 . 4.9(3)
C28 C27 O4 Zn1 . -174.3(3)
C19 O1 Zn1 O1W . -5.7(3)
C19 O1 Zn1 O3 . 91.5(3)
C19 O1 Zn1 N1 . -96.0(3)
C19 O1 Zn1 N2 . -171.3(3)
C19 O1 Zn1 O4 . 92.5(4)
C19 O1 Zn1 C27 . 90.1(3)
C27 O3 Zn1 O1 . -177.7(2)
C27 O3 Zn1 O1W . -86.0(2)
C27 O3 Zn1 N1 . 18.3(3)
C27 O3 Zn1 N2 . 92.5(2)
C27 O3 Zn1 O4 . 2.89(18)
C1 N1 Zn1 O1 . 95.0(3)
C5 N1 Zn1 O1 . -83.2(3)
C1 N1 Zn1 O1W . 3.7(3)
C5 N1 Zn1 O1W . -174.5(3)
C1 N1 Zn1 O3 . -102.2(3)
C5 N1 Zn1 O3 . 79.6(3)
C1 N1 Zn1 N2 . 178.9(3)
C5 N1 Zn1 N2 . 0.7(2)
C1 N1 Zn1 O4 . -88.9(3)
C5 N1 Zn1 O4 . 92.9(2)
C1 N1 Zn1 C27 . -91.2(3)
C5 N1 Zn1 C27 . 90.6(3)
C10 N2 Zn1 O1 . -65.9(3)
C6 N2 Zn1 O1 . 111.7(2)
C10 N2 Zn1 O1W . -158.5(4)
C6 N2 Zn1 O1W . 19.1(6)
C10 N2 Zn1 O3 . 27.4(3)
C6 N2 Zn1 O3 . -155.0(2)
C10 N2 Zn1 N1 . -178.4(3)
C6 N2 Zn1 N1 . -0.7(2)
C10 N2 Zn1 O4 . 86.9(3)
C6 N2 Zn1 O4 . -95.4(2)
C10 N2 Zn1 C27 . 57.5(3)
C6 N2 Zn1 C27 . -124.9(2)
C27 O4 Zn1 O1 . -4.1(3)
C27 O4 Zn1 O1W . 93.7(2)
C27 O4 Zn1 O3 . -2.92(18)
C27 O4 Zn1 N1 . -176.2(2)
C27 O4 Zn1 N2 . -99.4(2)
O4 C27 Zn1 O1 . 177.74(17)
O3 C27 Zn1 O1 . 2.8(2)
O4 C27 Zn1 O1W . -88.1(2)
O3 C27 Zn1 O1W . 96.9(2)
O4 C27 Zn1 O3 . 175.0(3)
O4 C27 Zn1 N1 . 4.6(2)
O3 C27 Zn1 N1 . -170.35(18)
O4 C27 Zn1 N2 . 83.5(2)
O3 C27 Zn1 N2 . -91.5(2)
O3 C27 Zn1 O4 . -175.0(3)
