#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/49/2204987.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_2204987
loop_
_publ_author_name
'Zhao, Jing-Gui'
'Gu, Chang-Sheng'
'Huo, Li-Hua'
'Liu, Ji-Wei'
'Gao, Shan'
_publ_section_title
;catena-Poly[[[tetraaquazinc(II)]-μ-4,4'-bipyridine-κ²N:N']
 3-carboxylatophenoxyacetate monohydrate]
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m76
_journal_page_last               m78
_journal_paper_doi               10.1107/S1600536804031344
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Zn (C10 H8 N2) (H2 O)4] (C9 H6 O5) , H2 O'
_chemical_formula_moiety         'C10 H16 N2 O4 Zn 2+ , C9 H6 O5 2- , H2 O'
_chemical_formula_sum            'C19 H24 N2 O10 Zn'
_chemical_formula_weight         505.79
_chemical_name_systematic
;
catena-Poly[[[tetraaquazinc(II)]-μ-4,4'-bipyridine-κ²N:N']
3-carboxylatophenoxyacetate monohydrate]
;
_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
_cell_angle_alpha                108.526(5)
_cell_angle_beta                 106.493(8)
_cell_angle_gamma                90.737(6)
_cell_formula_units_Z            2
_cell_length_a                   9.3049(8)
_cell_length_b                   11.1595(15)
_cell_length_c                   11.4248(18)
_cell_measurement_reflns_used    10081
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.9
_cell_volume                     1071.6(2)
_computing_cell_refinement       RAPID-AUTO
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       ω
_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  0.030
_diffrn_reflns_av_sigmaI/netI    0.040
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10614
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         3.2
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.20
_exptl_absorpt_correction_T_max  0.803
_exptl_absorpt_correction_T_min  0.671
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.568
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       Prism
_exptl_crystal_F_000             524
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.42
_refine_diff_density_min         -0.25
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.02
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     322
_refine_ls_number_reflns         4885
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.02
_refine_ls_R_factor_all          0.068
_refine_ls_R_factor_gt           0.040
_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)+(0.0418P)²+0.2994P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.079
_refine_ls_wR_factor_ref         0.089
_reflns_number_gt                3517
_reflns_number_total             4885
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ya6230.cif
_cod_data_source_block           I
_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:

'_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2204987
_cod_database_fobs_code          2204987
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_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
_atom_site_type_symbol
Zn1 0.0000 0.5000 0.0000 0.02750(11) Uani d S 1 Zn
Zn2 0.5000 0.0000 0.0000 0.02771(11) Uani d S 1 Zn
N1 -0.0041(2) 0.51270(19) 0.19148(18) 0.0285(4) Uani d . 1 N
N2 0.4973(2) 0.0076(2) 0.19073(19) 0.0321(5) Uani d . 1 N
O1 0.5581(2) 0.34708(18) 0.94939(18) 0.0423(5) Uani d . 1 O
O2 0.31193(19) 0.28059(17) 0.87091(17) 0.0391(4) Uani d . 1 O
O3 0.2996(2) 0.28290(18) 0.63768(18) 0.0422(5) Uani d . 1 O
O4 -0.0626(2) 0.16958(18) 0.09313(18) 0.0417(5) Uani d . 1 O
O5 -0.0674(2) 0.04630(19) 0.20931(18) 0.0468(5) Uani d . 1 O
O1W -0.0475(2) 0.30184(17) -0.06451(18) 0.0424(5) Uani d D 1 O
O2W 0.23530(19) 0.48312(18) 0.05795(17) 0.0355(4) Uani d D 1 O
O3W 0.30601(19) 0.09452(18) -0.02016(17) 0.0340(4) Uani d D 1 O
O4W 0.3641(2) -0.18020(17) -0.08314(17) 0.0354(4) Uani d D 1 O
O5W 0.0068(2) 0.1589(2) -0.2946(2) 0.0518(5) Uani d D 1 O
C1 -0.1190(3) 0.4549(3) 0.2080(2) 0.0343(6) Uani d . 1 C
C2 -0.1221(3) 0.4479(3) 0.3255(2) 0.0365(6) Uani d . 1 C
C3 -0.0014(3) 0.5043(2) 0.4360(2) 0.0272(5) Uani d . 1 C
C4 0.1167(3) 0.5671(3) 0.4192(2) 0.0408(7) Uani d . 1 C
C5 0.1112(3) 0.5688(3) 0.2976(2) 0.0403(7) Uani d . 1 C
C6 0.6224(3) 0.0430(3) 0.2920(2) 0.0411(7) Uani d . 1 C
C7 0.6282(3) 0.0421(3) 0.4133(2) 0.0413(7) Uani d . 1 C
C8 0.4998(3) 0.0019(2) 0.4356(2) 0.0294(5) Uani d . 1 C
C9 0.3691(3) -0.0341(3) 0.3302(2) 0.0349(6) Uani d . 1 C
C10 0.3730(3) -0.0292(3) 0.2119(2) 0.0362(6) Uani d . 1 C
C11 0.4331(3) 0.3190(2) 0.8615(2) 0.0322(5) Uani d . 1 C
C12 0.4364(3) 0.3372(3) 0.7365(3) 0.0374(6) Uani d . 1 C
C13 0.2895(3) 0.2807(2) 0.5145(2) 0.0335(6) Uani d . 1 C
C14 0.1592(3) 0.2151(2) 0.4189(3) 0.0325(5) Uani d . 1 C
C15 0.1347(3) 0.2086(2) 0.2917(2) 0.0306(5) Uani d . 1 C
C16 0.2431(3) 0.2679(3) 0.2596(3) 0.0396(6) Uani d . 1 C
C17 0.3753(3) 0.3287(3) 0.3546(3) 0.0472(7) Uani d . 1 C
C18 0.3996(3) 0.3367(3) 0.4821(3) 0.0420(6) Uani d . 1 C
C19 -0.0074(3) 0.1361(2) 0.1897(2) 0.0318(5) Uani d . 1 C
H1 -0.2023 0.4170 0.1359 0.041 Uiso calc R 1 H
H2 -0.2053 0.4052 0.3308 0.044 Uiso calc R 1 H
H4 0.1999 0.6082 0.4901 0.049 Uiso calc R 1 H
H5 0.1925 0.6113 0.2895 0.048 Uiso calc R 1 H
H6 0.7105 0.0697 0.2798 0.049 Uiso calc R 1 H
H7 0.7184 0.0685 0.4805 0.050 Uiso calc R 1 H
H9 0.2795 -0.0614 0.3395 0.042 Uiso calc R 1 H
H10 0.2839 -0.0529 0.1433 0.043 Uiso calc R 1 H
H12A 0.4520 0.4273 0.7501 0.045 Uiso calc R 1 H
H12B 0.5197 0.2976 0.7105 0.045 Uiso calc R 1 H
H14 0.0874 0.1748 0.4404 0.039 Uiso calc R 1 H
H16 0.2266 0.2666 0.1750 0.047 Uiso calc R 1 H
H17 0.4496 0.3651 0.3324 0.057 Uiso calc R 1 H
H18 0.4886 0.3790 0.5453 0.050 Uiso calc R 1 H
H1W1 -0.034(4) 0.266(3) -0.008(2) 0.064 Uiso d D 1 H
H1W2 -0.030(4) 0.255(2) -0.1317(17) 0.064 Uiso d D 1 H
H2W1 0.296(3) 0.5419(16) 0.060(3) 0.053 Uiso d D 1 H
H2W2 0.257(3) 0.4119(12) 0.017(3) 0.053 Uiso d D 1 H
H3W1 0.314(3) 0.1576(17) -0.045(3) 0.051 Uiso d D 1 H
H3W2 0.227(2) 0.045(2) -0.070(2) 0.051 Uiso d D 1 H
H4W1 0.2736(15) -0.171(3) -0.085(3) 0.053 Uiso d D 1 H
H4W2 0.397(3) -0.232(2) -0.045(3) 0.053 Uiso d D 1 H
H5W1 0.089(2) 0.195(3) -0.292(4) 0.078 Uiso d D 1 H
H5W2 0.021(3) 0.0874(18) -0.284(4) 0.078 Uiso d D 1 H
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
N1 Zn1 N1 2_565 . 180.00(11) no
N2 Zn2 N2 . 2_655 180.00(11) no
O1W Zn1 N1 2_565 . 89.08(7) no
O1W Zn1 N1 . . 90.92(7) yes
O1W Zn1 O1W 2_565 . 180.0 no
O1W Zn1 O2W 2_565 . 89.79(8) no
O1W Zn1 O2W . . 90.21(8) yes
O2W Zn1 N1 . . 88.97(7) yes
O2W Zn1 N1 2_565 . 91.03(7) no
O2W Zn1 O2W . 2_565 180.00(3) no
O3W Zn2 N2 . . 89.68(7) yes
O3W Zn2 N2 2_655 . 90.32(7) no
O3W Zn2 O3W . 2_655 180.00(10) no
O3W Zn2 O4W . . 90.62(7) yes
O3W Zn2 O4W 2_655 . 89.38(7) no
O4W Zn2 N2 2_655 . 89.83(7) no
O4W Zn2 N2 . . 90.17(7) yes
O4W Zn2 O4W 2_655 . 180.00(6) no
Zn1 O1W H1W1 . . 118(2) no
Zn1 O1W H1W2 . . 122(2) no
Zn1 O2W H2W1 . . 118.3(19) no
Zn1 O2W H2W2 . . 112.7(19) no
Zn2 O3W H3W1 . . 112.8(19) no
Zn2 O3W H3W2 . . 112.7(19) no
Zn2 O4W H4W1 . . 111(2) no
Zn2 O4W H4W2 . . 113(2) no
N1 C1 C2 . . 123.9(2) no
N1 C1 H1 . . 118.0 no
N1 C5 C4 . . 123.5(2) no
N1 C5 H5 . . 118.2 no
N2 C6 C7 . . 123.6(2) no
N2 C6 H6 . . 118.2 no
N2 C10 C9 . . 123.6(2) no
N2 C10 H10 . . 118.2 no
O1 C11 C12 . . 114.7(2) no
O2 C11 O1 . . 125.7(2) no
O2 C11 C12 . . 119.6(2) no
O3 C12 C11 . . 110.4(2) no
O3 C12 H12A . . 109.6 no
O3 C12 H12B . . 109.6 no
O3 C13 C14 . . 115.4(2) no
O3 C13 C18 . . 124.7(2) no
O4 C19 C15 . . 119.8(2) no
O5 C19 O4 . . 123.2(2) no
O5 C19 C15 . . 117.0(2) no
O1W Zn1 O2W 2_565 2_565 90.21(8) no
O1W Zn1 O2W . 2_565 89.79(8) no
O1W Zn1 N1 2_565 2_565 90.92(7) no
O1W Zn1 N1 . 2_565 89.08(7) no
O2W Zn1 N1 . 2_565 91.03(7) no
O2W Zn1 N1 2_565 2_565 88.97(7) no
O3W Zn2 N2 . 2_655 90.32(7) no
O3W Zn2 N2 2_655 2_655 89.68(7) no
O3W Zn2 O4W . 2_655 89.38(7) no
O3W Zn2 O4W 2_655 2_655 90.62(7) no
O4W Zn2 N2 2_655 2_655 90.17(7) no
O4W Zn2 N2 . 2_655 89.83(7) no
C1 N1 Zn1 . . 120.80(16) no
C1 N1 C5 . . 116.2(2) no
C1 C2 C3 . . 120.2(2) no
C1 C2 H2 . . 119.9 no
C2 C1 H1 . . 118.0 no
C2 C3 C3 . 2_566 121.8(3) no
C3 C2 H2 . . 119.9 no
C3 C4 H4 . . 119.9 no
C4 C3 C2 . . 115.9(2) no
C4 C3 C3 . 2_566 122.3(3) no
C4 C5 H5 . . 118.2 no
C5 N1 Zn1 . . 122.77(16) no
C5 C4 C3 . . 120.3(2) no
C5 C4 H4 . . 119.9 no
C6 N2 Zn2 . . 121.50(16) no
C6 C7 C8 . . 120.1(2) no
C6 C7 H7 . . 119.9 no
C7 C6 H6 . . 118.2 no
C7 C8 C8 . 2_656 122.3(3) no
C7 C8 C9 . . 116.2(2) no
C8 C7 H7 . . 119.9 no
C8 C9 H9 . . 120.1 no
C9 C8 C8 . 2_656 121.5(3) no
C9 C10 H10 . . 118.2 no
C10 N2 Zn2 . . 121.82(16) no
C10 N2 C6 . . 116.6(2) no
C10 C9 C8 . . 119.9(2) no
C10 C9 H9 . . 120.1 no
C11 C12 H12A . . 109.6 no
C11 C12 H12B . . 109.6 no
C13 O3 C12 . . 117.76(19) no
C13 C14 H14 . . 119.6 no
C13 C18 H18 . . 120.4 no
C14 C13 C18 . . 119.9(2) no
C14 C15 C16 . . 119.5(2) no
C14 C15 C19 . . 119.6(2) no
C15 C14 C13 . . 120.7(2) no
C15 C14 H14 . . 119.6 no
C15 C16 H16 . . 120.4 no
C16 C15 C19 . . 120.9(2) no
C16 C17 C18 . . 121.4(2) no
C16 C17 H17 . . 119.3 no
C17 C16 C15 . . 119.3(2) no
C17 C16 H16 . . 120.4 no
C17 C18 C13 . . 119.1(2) no
C17 C18 H18 . . 120.4 no
C18 C17 H17 . . 119.3 no
H1W1 O1W H1W2 . . 111.3(16) no
H2W1 O2W H2W2 . . 109.4(15) no
H3W1 O3W H3W2 . . 109.8(15) no
H4W1 O4W H4W2 . . 109.8(15) no
H5W1 O5W H5W2 . . 109.5(16) no
H12A C12 H12B . . 108.1 no
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
Zn1 N1 . 2.1582(18) yes
Zn1 O1W . 2.0935(18) yes
Zn1 O2W . 2.1294(17) yes
Zn2 N2 . 2.1610(19) yes
Zn2 O3W . 2.0955(17) yes
Zn2 O4W . 2.1408(17) yes
O1 C11 . 1.259(3) yes
O2 C11 . 1.246(3) yes
O4 C19 . 1.252(3) yes
O5 C19 . 1.251(3) yes
Zn1 N1 2_565 2.1582(18) no
Zn1 O1W 2_565 2.0935(18) no
Zn1 O2W 2_565 2.1294(17) no
Zn2 N2 2_655 2.1610(19) no
Zn2 O3W 2_655 2.0955(17) no
Zn2 O4W 2_655 2.1408(17) no
N1 C1 . 1.330(3) no
N1 C5 . 1.333(3) no
N2 C6 . 1.335(3) no
N2 C10 . 1.333(3) no
O3 C12 . 1.411(3) no
O3 C13 . 1.376(3) no
O1W H1W1 . 0.84(3) no
O1W H1W2 . 0.84(3) no
O2W H2W1 . 0.85(3) no
O2W H2W2 . 0.84(2) no
O3W H3W1 . 0.85(2) no
O3W H3W2 . 0.85(2) no
O4W H4W1 . 0.85(3) no
O4W H4W2 . 0.84(3) no
O5W H5W1 . 0.85(3) no
O5W H5W2 . 0.85(3) no
C1 C2 . 1.378(3) no
C1 H1 . 0.9300 no
C2 C3 . 1.386(3) no
C2 H2 . 0.9300 no
C3 C3 2_566 1.488(4) no
C3 C4 . 1.386(3) no
C4 C5 . 1.382(3) no
C4 H4 . 0.9300 no
C5 H5 . 0.9300 no
C6 C7 . 1.375(3) no
C6 H6 . 0.9300 no
C7 C8 . 1.388(3) no
C7 H7 . 0.9300 no
C8 C8 2_656 1.484(4) no
C8 C9 . 1.392(3) no
C9 C10 . 1.380(3) no
C9 H9 . 0.9300 no
C10 H10 . 0.9300 no
C11 C12 . 1.514(3) no
C12 H12A . 0.9700 no
C12 H12B . 0.9700 no
C13 C14 . 1.384(4) no
C13 C18 . 1.386(3) no
C14 C15 . 1.384(3) no
C14 H14 . 0.9300 no
C15 C16 . 1.391(3) no
C15 C19 . 1.503(3) no
C16 C17 . 1.380(4) no
C16 H16 . 0.9300 no
C17 C18 . 1.382(4) no
C17 H17 . 0.9300 no
C18 H18 . 0.9300 no
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
_geom_hbond_publ_flag
O1W H1W1 O4 . 0.84(3) 1.88(3) 2.696(2) 164(3) yes
O1W H1W2 O5W . 0.84(3) 1.96(3) 2.797(3) 175(3) yes
O2W H2W1 O1 2_666 0.85(3) 1.87(3) 2.719(2) 172(2) yes
O2W H2W2 O2 1_554 0.84(2) 2.03(3) 2.832(3) 157(3) yes
O3W H3W1 O2 1_554 0.85(2) 1.91(3) 2.746(2) 170(3) yes
O3W H3W2 O5 2 0.85(2) 1.83(3) 2.664(3) 165(3) yes
O4W H4W1 O4 2 0.85(3) 1.94(3) 2.781(3) 174(3) yes
O4W H4W2 O1 2_656 0.84(3) 1.91(3) 2.746(3) 171(2) yes
O5W H5W1 O2 1_554 0.85(3) 2.31(3) 2.949(3) 133(3) yes
O5W H5W2 O5 2 0.85(3) 1.94(3) 2.766(3) 164(4) yes
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_4
_geom_torsion
_geom_torsion_publ_flag
Zn1 N1 C1 C2 . . 173.0(2) no
Zn1 N1 C5 C4 . . -173.5(2) no
Zn2 N2 C6 C7 . . -176.0(2) no
Zn2 N2 C10 C9 . . 175.4(2) no
N1 C1 C2 C3 . . 0.8(4) no
N2 C6 C7 C8 . . 0.5(5) no
O1 C11 C12 O3 . . 169.7(2) no
O2 C11 C12 O3 . . -11.3(3) no
O3 C13 C14 C15 . . 178.6(2) no
O3 C13 C18 C17 . . -179.4(3) no
O1W Zn1 N1 C1 2_565 . 129.8(2) no
O1W Zn1 N1 C1 . . -50.2(2) no
O1W Zn1 N1 C5 2_565 . -55.8(2) no
O1W Zn1 N1 C5 . . 124.2(2) no
O2W Zn1 N1 C1 . . -140.4(2) no
O2W Zn1 N1 C1 2_565 . 39.6(2) no
O2W Zn1 N1 C5 . . 34.0(2) no
O2W Zn1 N1 C5 2_565 . -146.0(2) no
O3W Zn2 N2 C6 . . -133.9(2) no
O3W Zn2 N2 C6 2_655 . 46.1(2) no
O3W Zn2 N2 C10 . . 49.7(2) no
O3W Zn2 N2 C10 2_655 . -130.3(2) no
O4W Zn2 N2 C6 2_655 . -44.5(2) no
O4W Zn2 N2 C6 . . 135.5(2) no
O4W Zn2 N2 C10 2_655 . 139.1(2) no
O4W Zn2 N2 C10 . . -40.9(2) no
C1 N1 C5 C4 . . 1.2(4) no
C1 C2 C3 C3 . 2_566 -178.3(3) no
C1 C2 C3 C4 . . 0.8(4) no
C2 C3 C4 C5 . . -1.3(4) no
C3 C3 C4 C5 2_566 . 177.8(3) no
C3 C4 C5 N1 . . 0.3(5) no
C5 N1 C1 C2 . . -1.7(4) no
C6 N2 C10 C9 . . -1.1(4) no
C6 C7 C8 C8 . 2_656 179.4(3) no
C6 C7 C8 C9 . . -0.9(4) no
C7 C8 C9 C10 . . 0.3(4) no
C8 C8 C9 C10 2_656 . 180.0(3) no
C8 C9 C10 N2 . . 0.7(4) no
C10 N2 C6 C7 . . 0.5(4) no
C12 O3 C13 C14 . . 173.7(2) no
C12 O3 C13 C18 . . -5.2(4) no
C13 O3 C12 C11 . . -174.0(2) no
C13 C14 C15 C16 . . 0.6(4) no
C13 C14 C15 C19 . . 179.7(2) no
C14 C13 C18 C17 . . 1.8(4) no
C14 C15 C16 C17 . . 2.1(4) no
C14 C15 C19 O4 . . 150.2(2) no
C14 C15 C19 O5 . . -27.5(3) no
C15 C16 C17 C18 . . -2.8(4) no
C16 C17 C18 C13 . . 0.9(4) no
C16 C15 C19 O4 . . -30.7(4) no
C16 C15 C19 O5 . . 151.6(3) no
C18 C13 C14 C15 . . -2.5(4) no
C19 C15 C16 C17 . . -177.1(3) no
