#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:29:33 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179633 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/97/4509717.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# 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_4509717
loop_
_publ_author_name
'Yang, En-Cui'
'Chan, Ya-Nan'
'Liu, Hui'
'Wang, Zhi-Chao'
'Zhao, Xiao-Jun'
_publ_section_title
;
 Unusual Polymeric ZnII/CdIIComplexes with 2,6-Diaminopurine by
 Synergistic Coordination of Nucleobases and Polycarboxylate Anions:
 Binding Behavior, Self-Assembled Pattern of the Nucleobase, and
 Luminscent Properties
;
_journal_issue                   11
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4933
_journal_paper_doi               10.1021/cg9007119
_journal_volume                  9
_journal_year                    2009
_chemical_formula_sum            'C21 H14 N6 O8 Zn2'
_chemical_formula_weight         609.12
_chemical_name_systematic
; 
 ? 
;
_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                 101.7870(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.3203(4)
_cell_length_b                   19.1072(10)
_cell_length_c                   15.7652(8)
_cell_measurement_reflns_used    8336
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.93
_cell_measurement_theta_min      2.51
_cell_volume                     2158.6(2)
_computing_cell_refinement       'Bruker SMART APEX II'
_computing_data_collection       'Bruker SMART APEX II'
_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      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'APEX II 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  0.0221
_diffrn_reflns_av_sigmaI/netI    0.0235
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            10951
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    2.288
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.603618
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            PALE-YELLOW
_exptl_crystal_density_diffrn    1.874
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1224
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.333
_refine_diff_density_min         -0.710
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         3809
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0254
_refine_ls_R_factor_gt           0.0234
_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)+(0.0348P)²+1.3762P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0618
_refine_ls_wR_factor_ref         0.0630
_reflns_number_gt                3560
_reflns_number_total             3809
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg9007119sup1.cif
_cod_data_source_block           Complex2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

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_sg_symbol_H-M      P2(1)/n
_cod_database_code               4509717
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_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
Zn1 Zn 0.93565(3) 0.063364(11) 0.581803(15) 0.02118(8) Uani 1 1 d .
Zn2 Zn 0.40964(3) 0.149756(12) 0.790997(15) 0.02181(8) Uani 1 1 d .
O1 O 0.6282(2) 0.03850(8) 0.84854(10) 0.0358(4) Uani 1 1 d .
O2 O 0.5570(2) 0.13657(8) 0.90863(10) 0.0313(4) Uani 1 1 d .
O3 O 0.9879(2) -0.00261(8) 1.31444(9) 0.0292(3) Uani 1 1 d .
O4 O 0.7845(2) -0.08715(8) 1.27797(10) 0.0315(3) Uani 1 1 d .
O5 O 1.0856(2) 0.11379(7) 0.51282(10) 0.0279(3) Uani 1 1 d .
O6 O 1.20862(19) 0.01243(7) 0.48752(9) 0.0250(3) Uani 1 1 d .
O7 O 1.8907(2) 0.18693(9) 0.31741(11) 0.0388(4) Uani 1 1 d .
O8 O 1.7218(2) 0.28422(9) 0.31164(12) 0.0404(4) Uani 1 1 d .
N9 N 0.5780(2) 0.16655(9) 0.70915(11) 0.0244(4) Uani 1 1 d .
N7 N 0.7698(2) 0.13503(9) 0.62007(11) 0.0233(4) Uani 1 1 d .
N1 N 0.8264(3) 0.32957(9) 0.61443(12) 0.0254(4) Uani 1 1 d .
N3 N 0.6271(2) 0.29204(9) 0.70569(11) 0.0245(4) Uani 1 1 d .
H4 H 0.5510 0.3022 0.7388 0.029 Uiso 1 1 calc R
N6 N 0.9428(3) 0.25485(9) 0.52537(12) 0.0299(4) Uani 1 1 d .
H6A H 0.9864 0.2905 0.5028 0.036 Uiso 1 1 calc R
H6B H 0.9598 0.2134 0.5071 0.036 Uiso 1 1 calc R
N2 N 0.7193(3) 0.40716(9) 0.70387(12) 0.0294(4) Uani 1 1 d .
H2A H 0.7802 0.4401 0.6847 0.035 Uiso 1 1 calc R
H2B H 0.6545 0.4162 0.7423 0.035 Uiso 1 1 calc R
C4 C 0.6543(3) 0.22475(10) 0.68271(13) 0.0208(4) Uani 1 1 d .
C5 C 0.7710(3) 0.20774(10) 0.62769(13) 0.0216(4) Uani 1 1 d .
C6 C 0.8491(3) 0.26374(10) 0.58832(13) 0.0228(4) Uani 1 1 d .
C2 C 0.7252(3) 0.34224(10) 0.67394(14) 0.0233(4) Uani 1 1 d .
C8 C 0.6548(3) 0.11444(11) 0.67035(14) 0.0264(5) Uani 1 1 d .
H8 H 0.6291 0.0675 0.6783 0.032 Uiso 1 1 calc R
C1 C 0.6323(3) 0.07526(11) 0.91333(14) 0.0258(4) Uani 1 1 d .
C3 C 0.7151(3) 0.04912(11) 1.00269(14) 0.0251(4) Uani 1 1 d .
C7 C 0.7266(3) 0.09207(11) 1.07418(15) 0.0319(5) Uani 1 1 d .
H7 H 0.6981 0.1394 1.0663 0.038 Uiso 1 1 calc R
C9 C 0.7795(3) 0.06573(11) 1.15681(15) 0.0307(5) Uani 1 1 d .
H9 H 0.7876 0.0952 1.2044 0.037 Uiso 1 1 calc R
C10 C 0.8207(3) -0.00469(11) 1.16892(13) 0.0240(4) Uani 1 1 d .
C11 C 0.8655(3) -0.03342(10) 1.25815(14) 0.0242(4) Uani 1 1 d .
C12 C 0.8174(3) -0.04745(11) 1.09798(14) 0.0285(5) Uani 1 1 d .
H12 H 0.8505 -0.0943 1.1060 0.034 Uiso 1 1 calc R
C13 C 0.7652(3) -0.02076(11) 1.01534(14) 0.0302(5) Uani 1 1 d .
H13 H 0.7636 -0.0497 0.9678 0.036 Uiso 1 1 calc R
C14 C 1.2013(3) 0.07797(10) 0.48155(13) 0.0208(4) Uani 1 1 d .
C15 C 1.3390(3) 0.11561(10) 0.44059(13) 0.0219(4) Uani 1 1 d .
C16 C 1.3335(3) 0.18787(11) 0.43014(16) 0.0333(5) Uani 1 1 d .
H16 H 1.2414 0.2138 0.4485 0.040 Uiso 1 1 calc R
C17 C 1.4644(3) 0.22119(12) 0.39249(17) 0.0344(5) Uani 1 1 d .
H17 H 1.4578 0.2694 0.3843 0.041 Uiso 1 1 calc R
C18 C 1.6056(3) 0.18342(11) 0.36675(14) 0.0254(4) Uani 1 1 d .
C19 C 1.7522(3) 0.22008(12) 0.32858(13) 0.0271(5) Uani 1 1 d .
C20 C 1.6127(3) 0.11148(11) 0.37802(14) 0.0264(5) Uani 1 1 d .
H20 H 1.7075 0.0858 0.3615 0.032 Uiso 1 1 calc R
C21 C 1.4796(3) 0.07781(11) 0.41367(14) 0.0247(4) Uani 1 1 d .
H21 H 1.4839 0.0294 0.4198 0.030 Uiso 1 1 calc R
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
O5 Zn1 O6 110.51(6) . 3_756
O5 Zn1 O3 130.59(6) . 3_757
O6 Zn1 O3 93.19(6) 3_756 3_757
O5 Zn1 N7 105.96(6) . .
O6 Zn1 N7 112.20(7) 3_756 .
O3 Zn1 N7 103.72(7) 3_757 .
O8 Zn2 O2 101.34(7) 4_466 .
O8 Zn2 N9 124.00(7) 4_466 .
O2 Zn2 N9 109.92(7) . .
O8 Zn2 O4 91.75(7) 4_466 3_657
O2 Zn2 O4 129.01(7) . 3_657
N9 Zn2 O4 102.13(7) . 3_657
C1 O2 Zn2 108.47(14) . .
C11 O3 Zn1 110.10(13) . 3_757
C11 O4 Zn2 132.25(14) . 3_657
C14 O5 Zn1 116.63(13) . .
C14 O6 Zn1 132.59(13) . 3_756
C19 O8 Zn2 124.39(15) . 4_765
C4 N9 C8 103.37(16) . .
C4 N9 Zn2 133.32(14) . .
C8 N9 Zn2 123.16(14) . .
C8 N7 C5 103.72(16) . .
C8 N7 Zn1 118.31(14) . .
C5 N7 Zn1 135.53(13) . .
C2 N1 C6 120.48(17) . .
C2 N3 C4 116.92(17) . .
C2 N3 H4 121.5 . .
C4 N3 H4 121.5 . .
C6 N6 H6A 120.0 . .
C6 N6 H6B 120.0 . .
H6A N6 H6B 120.0 . .
C2 N2 H2A 120.0 . .
C2 N2 H2B 120.0 . .
H2A N2 H2B 120.0 . .
N9 C4 N3 127.17(17) . .
N9 C4 C5 110.49(17) . .
N3 C4 C5 122.34(18) . .
C4 C5 N7 107.23(17) . .
C4 C5 C6 117.18(18) . .
N7 C5 C6 135.37(18) . .
N6 C6 N1 117.61(18) . .
N6 C6 C5 123.23(18) . .
N1 C6 C5 119.15(18) . .
N1 C2 N2 118.86(19) . .
N1 C2 N3 123.06(18) . .
N2 C2 N3 118.07(18) . .
N7 C8 N9 115.17(18) . .
N7 C8 H8 122.4 . .
N9 C8 H8 122.4 . .
O1 C1 O2 122.1(2) . .
O1 C1 C3 121.58(19) . .
O2 C1 C3 116.24(18) . .
C7 C3 C13 118.9(2) . .
C7 C3 C1 120.86(19) . .
C13 C3 C1 119.94(19) . .
C9 C7 C3 120.8(2) . .
C9 C7 H7 119.6 . .
C3 C7 H7 119.6 . .
C7 C9 C10 119.8(2) . .
C7 C9 H9 120.1 . .
C10 C9 H9 120.1 . .
C12 C10 C9 119.8(2) . .
C12 C10 C11 120.86(19) . .
C9 C10 C11 119.39(19) . .
O4 C11 O3 120.43(19) . .
O4 C11 C10 120.94(19) . .
O3 C11 C10 118.63(18) . .
C13 C12 C10 120.1(2) . .
C13 C12 H12 119.9 . .
C10 C12 H12 119.9 . .
C12 C13 C3 120.4(2) . .
C12 C13 H13 119.8 . .
C3 C13 H13 119.8 . .
O6 C14 O5 122.12(18) . .
O6 C14 C15 119.48(17) . .
O5 C14 C15 118.33(17) . .
C16 C15 C21 118.98(18) . .
C16 C15 C14 121.69(18) . .
C21 C15 C14 119.31(18) . .
C17 C16 C15 120.2(2) . .
C17 C16 H16 119.9 . .
C15 C16 H16 119.9 . .
C16 C17 C18 120.6(2) . .
C16 C17 H17 119.7 . .
C18 C17 H17 119.7 . .
C20 C18 C17 119.28(18) . .
C20 C18 C19 120.12(19) . .
C17 C18 C19 120.60(19) . .
O7 C19 O8 125.44(19) . .
O7 C19 C18 119.3(2) . .
O8 C19 C18 115.23(19) . .
C21 C20 C18 120.28(19) . .
C21 C20 H20 119.9 . .
C18 C20 H20 119.9 . .
C20 C21 C15 120.63(19) . .
C20 C21 H21 119.7 . .
C15 C21 H21 119.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O5 1.9501(14) .
Zn1 O6 1.9839(14) 3_756
Zn1 O3 1.9907(15) 3_757
Zn1 N7 2.0030(17) .
Zn2 O8 1.9420(15) 4_466
Zn2 O2 1.9620(16) .
Zn2 N9 1.9844(16) .
Zn2 O4 2.0005(16) 3_657
O1 C1 1.235(3) .
O2 C1 1.290(3) .
O3 C11 1.270(3) .
O3 Zn1 1.9906(15) 3_757
O4 C11 1.256(3) .
O4 Zn2 2.0006(15) 3_657
O5 C14 1.265(2) .
O6 C14 1.256(2) .
O6 Zn1 1.9838(14) 3_756
O7 C19 1.238(3) .
O8 C19 1.264(3) .
O8 Zn2 1.9421(15) 4_765
N9 C4 1.348(3) .
N9 C8 1.350(3) .
N7 C8 1.328(3) .
N7 C5 1.394(2) .
N1 C2 1.331(3) .
N1 C6 1.344(3) .
N3 C2 1.354(3) .
N3 C4 1.362(3) .
N3 H4 0.8600 .
N6 C6 1.327(3) .
N6 H6A 0.8600 .
N6 H6B 0.8600 .
N2 C2 1.331(3) .
N2 H2A 0.8600 .
N2 H2B 0.8600 .
C4 C5 1.375(3) .
C5 C6 1.415(3) .
C8 H8 0.9300 .
C1 C3 1.501(3) .
C3 C7 1.383(3) .
C3 C13 1.388(3) .
C7 C9 1.376(3) .
C7 H7 0.9300 .
C9 C10 1.384(3) .
C9 H9 0.9300 .
C10 C12 1.381(3) .
C10 C11 1.483(3) .
C12 C13 1.378(3) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C14 C15 1.489(3) .
C15 C16 1.390(3) .
C15 C21 1.393(3) .
C16 C17 1.382(3) .
C16 H16 0.9300 .
C17 C18 1.388(3) .
C17 H17 0.9300 .
C18 C20 1.386(3) .
C18 C19 1.506(3) .
C20 C21 1.379(3) .
C20 H20 0.9300 .
C21 H21 0.9300 .
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
O8 Zn2 O2 C1 152.71(14) 4_466
N9 Zn2 O2 C1 -74.51(15) .
O4 Zn2 O2 C1 51.02(17) 3_657
O6 Zn1 O5 C14 -58.06(16) 3_756
O3 Zn1 O5 C14 55.44(18) 3_757
N7 Zn1 O5 C14 -179.82(15) .
O8 Zn2 N9 C4 31.3(2) 4_466
O2 Zn2 N9 C4 -88.5(2) .
O4 Zn2 N9 C4 131.8(2) 3_657
O8 Zn2 N9 C8 -154.04(17) 4_466
O2 Zn2 N9 C8 86.19(18) .
O4 Zn2 N9 C8 -53.51(19) 3_657
O5 Zn1 N7 C8 -178.50(16) .
O6 Zn1 N7 C8 60.82(18) 3_756
O3 Zn1 N7 C8 -38.47(18) 3_757
O5 Zn1 N7 C5 -19.6(2) .
O6 Zn1 N7 C5 -140.23(19) 3_756
O3 Zn1 N7 C5 120.5(2) 3_757
C8 N9 C4 N3 -177.9(2) .
Zn2 N9 C4 N3 -2.5(3) .
C8 N9 C4 C5 1.3(2) .
Zn2 N9 C4 C5 176.75(16) .
C2 N3 C4 N9 177.1(2) .
C2 N3 C4 C5 -2.0(3) .
N9 C4 C5 N7 -0.8(2) .
N3 C4 C5 N7 178.51(19) .
N9 C4 C5 C6 174.57(18) .
N3 C4 C5 C6 -6.1(3) .
C8 N7 C5 C4 -0.1(2) .
Zn1 N7 C5 C4 -161.12(16) .
C8 N7 C5 C6 -174.3(2) .
Zn1 N7 C5 C6 24.7(4) .
C2 N1 C6 N6 176.3(2) .
C2 N1 C6 C5 -2.8(3) .
C4 C5 C6 N6 -170.5(2) .
N7 C5 C6 N6 3.1(4) .
C4 C5 C6 N1 8.5(3) .
N7 C5 C6 N1 -177.8(2) .
C6 N1 C2 N2 174.1(2) .
C6 N1 C2 N3 -6.0(3) .
C4 N3 C2 N1 8.4(3) .
C4 N3 C2 N2 -171.71(19) .
C5 N7 C8 N9 1.0(3) .
Zn1 N7 C8 N9 166.02(15) .
C4 N9 C8 N7 -1.5(3) .
Zn2 N9 C8 N7 -177.52(15) .
Zn2 O2 C1 O1 9.5(3) .
Zn2 O2 C1 C3 -166.89(14) .
O1 C1 C3 C7 176.9(2) .
O2 C1 C3 C7 -6.6(3) .
O1 C1 C3 C13 -9.2(3) .
O2 C1 C3 C13 167.3(2) .
C13 C3 C7 C9 -2.6(3) .
C1 C3 C7 C9 171.4(2) .
C3 C7 C9 C10 -0.5(4) .
C7 C9 C10 C12 3.2(3) .
C7 C9 C10 C11 -176.0(2) .
Zn2 O4 C11 O3 -179.23(14) 3_657
Zn2 O4 C11 C10 0.8(3) 3_657
Zn1 O3 C11 O4 13.6(2) 3_757
Zn1 O3 C11 C10 -166.43(14) 3_757
C12 C10 C11 O4 -49.7(3) .
C9 C10 C11 O4 129.6(2) .
C12 C10 C11 O3 130.3(2) .
C9 C10 C11 O3 -50.5(3) .
C9 C10 C12 C13 -2.9(3) .
C11 C10 C12 C13 176.3(2) .
C10 C12 C13 C3 -0.2(3) .
C7 C3 C13 C12 2.9(3) .
C1 C3 C13 C12 -171.1(2) .
Zn1 O6 C14 O5 83.2(2) 3_756
Zn1 O6 C14 C15 -100.1(2) 3_756
Zn1 O5 C14 O6 6.3(3) .
Zn1 O5 C14 C15 -170.44(14) .
O6 C14 C15 C16 178.1(2) .
O5 C14 C15 C16 -5.1(3) .
O6 C14 C15 C21 -3.3(3) .
O5 C14 C15 C21 173.52(19) .
C21 C15 C16 C17 0.9(3) .
C14 C15 C16 C17 179.5(2) .
C15 C16 C17 C18 -1.7(4) .
C16 C17 C18 C20 0.9(4) .
C16 C17 C18 C19 -177.9(2) .
Zn2 O8 C19 O7 -15.6(3) 4_765
Zn2 O8 C19 C18 163.33(14) 4_765
C20 C18 C19 O7 -8.9(3) .
C17 C18 C19 O7 169.9(2) .
C20 C18 C19 O8 172.1(2) .
C17 C18 C19 O8 -9.1(3) .
C17 C18 C20 C21 0.6(3) .
C19 C18 C20 C21 179.4(2) .
C18 C20 C21 C15 -1.4(3) .
C16 C15 C21 C20 0.7(3) .
C14 C15 C21 C20 -177.94(19) .
