#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/44/7024481.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_7024481
loop_
_publ_author_name
'Kobayashi, Atsushi'
'Hara, Hirofumi'
'Noro, Shin-Ichiro'
'Kato, Masako'
_publ_section_title
;
 Multifunctional sensing ability of a new Pt/Zn-based luminescent
 coordination polymer.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3400
_journal_page_last               3406
_journal_paper_doi               10.1039/b917693d
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C14 H14 N4 O8 Pt Zn '
_chemical_formula_sum            'C14 H14 N4 O8 Pt Zn'
_chemical_formula_weight         626.76
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 101.38(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   9.495(17)
_cell_length_b                   6.577(11)
_cell_length_c                   14.10(2)
_cell_measurement_reflns_used    2301
_cell_measurement_temperature    90.1
_cell_measurement_theta_max      31.4
_cell_measurement_theta_min      1.4
_cell_volume                     863(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR2004
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.895
_diffrn_measured_fraction_theta_max 0.895
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       ω
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.68900
_diffrn_reflns_av_R_equivalents  0.112
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            9503
_diffrn_reflns_theta_full        31.57
_diffrn_reflns_theta_max         31.57
_exptl_absorpt_coefficient_mu    9.419
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.025
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
Higashi, T. (1999). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.410
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             596.00
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         10.28
_refine_diff_density_min         -6.69
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     168
_refine_ls_number_reflns         3055
_refine_ls_R_factor_gt           0.0771
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ2^(Fo2^)+(0.1445P)2^+3.5307P] where P=(Fo2+2Fc2)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2292
_reflns_number_gt                2470
_reflns_number_total             3055
_reflns_threshold_expression     F2^>2.0σ(F2^)
_cod_data_source_file            b917693d.txt
_cod_data_source_block           HH03-124Zn-a
_cod_original_cell_volume        864(3)
_cod_original_formula_sum        'C14 H14 N4 O8 Pt Zn '
_cod_database_code               7024481
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,-Z
3 -X,-Y,-Z
4 +X,1/2-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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pt(1) Pt 0.51806(6) 0.2500 0.00780(3) 0.0199(2) Uani 1.00 2 d S
Zn(1) Zn 0.7815(3) 0.2500 0.54170(19) 0.0596(8) Uani 1.00 2 d S
O(1) O 0.638(2) 0.2500 0.4133(11) 0.086(7) Uani 1.00 2 d S
O(2) O 0.4314(19) 0.2500 0.4644(12) 0.065(5) Uani 1.00 2 d S
O(3) O 0.152(2) 0.2500 -0.3544(13) 0.091(8) Uani 1.00 2 d S
O(4) O -0.0762(19) 0.2500 -0.3314(12) 0.073(6) Uani 1.00 2 d S
O(5) O 0.631(2) 0.2500 0.6215(12) 0.085(7) Uani 1.00 2 d S
O(6) O 0.812(3) 0.577(5) 0.519(2) 0.079(12) Uiso 0.55 1 d P
O(7) O 0.928(4) 0.2500 -0.6607(18) 0.123(12) Uani 1.00 2 d S
O(8) O 0.897(4) 0.490(3) 0.514(2) 0.081(14) Uiso 0.58 1 d P
N(1) N 0.4264(12) 0.2500 0.1276(9) 0.019(2) Uani 1.00 2 d S
N(2) N 0.3065(14) 0.2500 -0.0596(8) 0.019(2) Uani 1.00 2 d S
N(3) N 0.6338(17) 0.2500 -0.1839(10) 0.032(2) Uani 1.00 2 d S
N(4) N 0.8288(16) 0.2500 0.1310(11) 0.031(2) Uani 1.00 2 d S
C(1) C 0.4923(18) 0.2500 0.2197(11) 0.028(2) Uani 1.00 2 d S
C(2) C 0.4182(19) 0.2500 0.2957(12) 0.036(3) Uani 1.00 2 d S
C(3) C 0.271(2) 0.2500 0.2758(12) 0.037(3) Uani 1.00 2 d S
C(4) C 0.1937(19) 0.2500 0.1789(11) 0.033(3) Uani 1.00 2 d S
C(5) C 0.2777(17) 0.2500 0.1059(11) 0.025(2) Uani 1.00 2 d S
C(6) C 0.2117(16) 0.2500 0.0008(11) 0.022(2) Uani 1.00 2 d S
C(7) C 0.0653(15) 0.2500 -0.0313(12) 0.024(2) Uani 1.00 2 d S
C(8) C 0.0128(17) 0.2500 -0.1332(12) 0.029(3) Uani 1.00 2 d S
C(9) C 0.1067(18) 0.2500 -0.1950(12) 0.028(2) Uani 1.00 2 d S
C(10) C 0.2554(17) 0.2500 -0.1546(10) 0.024(2) Uani 1.00 2 d S
C(11) C 0.500(2) 0.2500 0.3997(14) 0.053(5) Uani 1.00 2 d S
C(12) C 0.058(3) 0.2500 -0.3049(14) 0.052(5) Uani 1.00 2 d S
C(13) C 0.5936(17) 0.2500 -0.1112(10) 0.022(2) Uani 1.00 2 d S
C(14) C 0.7088(15) 0.2500 0.0798(11) 0.020(2) Uani 1.00 2 d S
H(1) H 0.5943 0.2500 0.2344 0.034 Uiso 1.00 2 c R
H(2) H 0.2199 0.2500 0.3274 0.044 Uiso 1.00 2 c R
H(3) H 0.0917 0.2500 0.1636 0.040 Uiso 1.00 2 c R
H(4) H 0.0015 0.2500 0.0128 0.029 Uiso 1.00 2 c R
H(5) H -0.0877 0.2500 -0.1581 0.035 Uiso 1.00 2 c R
H(6) H 0.3217 0.2500 -0.1970 0.029 Uiso 1.00 2 c R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
N N 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Zn Zn 0.000 0.000
;
International Tables for Crystallography
(1992, 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_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N(1) Pt(1) N(2) 81.1(4) yes . .
N(1) Pt(1) C(13) 176.5(5) yes . .
N(1) Pt(1) C(14) 94.3(5) yes . .
N(2) Pt(1) C(13) 95.4(5) yes . .
N(2) Pt(1) C(14) 175.4(6) yes . .
C(13) Pt(1) C(14) 89.2(6) yes . .
O(1) Zn(1) O(4) 179.9(6) yes . 1_656
O(1) Zn(1) O(5) 94.2(7) yes . .
O(1) Zn(1) O(6) 87.5(7) yes . .
O(1) Zn(1) O(6) 87.5(7) yes . 4_555
O(1) Zn(1) O(8) 96.9(11) yes . .
O(1) Zn(1) O(8) 96.9(11) yes . 4_555
O(4) Zn(1) O(5) 85.9(7) yes 1_656 .
O(4) Zn(1) O(6) 92.5(7) yes 1_656 .
O(4) Zn(1) O(6) 92.5(7) yes 1_656 4_555
O(4) Zn(1) O(8) 83.0(11) yes 1_656 .
O(4) Zn(1) O(8) 83.0(11) yes 1_656 4_555
O(5) Zn(1) O(6) 102.3(9) yes . .
O(5) Zn(1) O(6) 102.3(9) yes . 4_555
O(5) Zn(1) O(8) 126.5(11) yes . .
O(5) Zn(1) O(8) 126.5(11) yes . 4_555
O(6) Zn(1) O(6) 155.2(13) yes . 4_555
O(6) Zn(1) O(8) 27.1(14) yes . .
O(6) Zn(1) O(8) 130.2(14) yes . 4_555
O(6) Zn(1) O(8) 130.2(14) yes 4_555 .
O(6) Zn(1) O(8) 27.1(14) yes 4_555 4_555
O(8) Zn(1) O(8) 103.7(15) yes . 4_555
Zn(1) O(1) C(11) 127.9(14) yes . .
Zn(1) O(4) C(12) 136.6(16) yes 1_454 .
Zn(1) O(6) O(8) 66(2) yes . .
Zn(1) O(8) O(6) 87(3) yes . .
Pt(1) N(1) C(1) 127.8(10) yes . .
Pt(1) N(1) C(5) 113.5(9) yes . .
C(1) N(1) C(5) 118.7(14) yes . .
Pt(1) N(2) C(6) 114.9(8) yes . .
Pt(1) N(2) C(10) 126.6(11) yes . .
C(6) N(2) C(10) 118.5(13) yes . .
N(1) C(1) C(2) 122.8(14) yes . .
C(1) C(2) C(3) 119.5(14) yes . .
C(1) C(2) C(11) 120.2(15) yes . .
C(3) C(2) C(11) 120.3(16) yes . .
C(2) C(3) C(4) 120.7(17) yes . .
C(3) C(4) C(5) 116.1(15) yes . .
N(1) C(5) C(4) 122.2(13) yes . .
N(1) C(5) C(6) 115.5(14) yes . .
C(4) C(5) C(6) 122.3(13) yes . .
N(2) C(6) C(5) 115.1(12) yes . .
N(2) C(6) C(7) 123.1(13) yes . .
C(5) C(6) C(7) 121.8(15) yes . .
C(6) C(7) C(8) 117.5(15) yes . .
C(7) C(8) C(9) 120.1(14) yes . .
C(8) C(9) C(10) 118.0(14) yes . .
C(8) C(9) C(12) 122.9(16) yes . .
C(10) C(9) C(12) 119.1(17) yes . .
N(2) C(10) C(9) 122.8(15) yes . .
O(1) C(11) O(2) 124.5(17) yes . .
O(1) C(11) C(2) 117.1(17) yes . .
O(2) C(11) C(2) 118.4(16) yes . .
O(3) C(12) O(4) 129.4(19) yes . .
O(3) C(12) C(9) 118(2) yes . .
O(4) C(12) C(9) 113(2) yes . .
Pt(1) C(13) N(3) 177.7(13) yes . .
Pt(1) C(14) N(4) 176.3(14) yes . .
N(1) C(1) H(1) 118.6 no . .
C(2) C(1) H(1) 118.7 no . .
C(2) C(3) H(2) 119.8 no . .
C(4) C(3) H(2) 119.5 no . .
C(3) C(4) H(3) 121.9 no . .
C(5) C(4) H(3) 121.9 no . .
C(6) C(7) H(4) 121.3 no . .
C(8) C(7) H(4) 121.2 no . .
C(7) C(8) H(5) 119.9 no . .
C(9) C(8) H(5) 120.0 no . .
N(2) C(10) H(6) 118.6 no . .
C(9) C(10) H(6) 118.6 no . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Pt(1) N(1) 2.048(13) yes .
Pt(1) N(2) 2.046(12) yes .
Pt(1) C(13) 1.951(15) yes .
Pt(1) C(14) 1.894(13) yes .
Zn(1) O(1) 2.040(15) yes .
Zn(1) O(4) 2.019(15) yes 1_656
Zn(1) O(5) 1.99(2) yes .
Zn(1) O(6) 2.20(3) yes .
Zn(1) O(6) 2.20(3) yes 4_555
Zn(1) O(8) 2.01(3) yes .
Zn(1) O(8) 2.01(3) yes 4_555
O(1) C(11) 1.29(2) yes .
O(2) C(11) 1.22(2) yes .
O(3) C(12) 1.24(3) yes .
O(4) C(12) 1.26(3) yes .
O(6) O(8) 1.01(5) yes .
N(1) C(1) 1.326(18) yes .
N(1) C(5) 1.384(19) yes .
N(2) C(6) 1.36(2) yes .
N(2) C(10) 1.332(17) yes .
N(3) C(13) 1.16(2) yes .
N(4) C(14) 1.223(19) yes .
C(1) C(2) 1.39(2) yes .
C(2) C(3) 1.37(2) yes .
C(2) C(11) 1.52(2) yes .
C(3) C(4) 1.42(2) yes .
C(4) C(5) 1.42(2) yes .
C(5) C(6) 1.49(2) yes .
C(6) C(7) 1.374(19) yes .
C(7) C(8) 1.43(2) yes .
C(8) C(9) 1.36(2) yes .
C(9) C(10) 1.41(2) yes .
C(9) C(12) 1.53(2) yes .
C(1) H(1) 0.950 no .
C(3) H(2) 0.951 no .
C(4) H(3) 0.950 no .
C(7) H(4) 0.950 no .
C(8) H(5) 0.950 no .
C(10) H(6) 0.950 no .
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
Pt(1) Pt(1) 3.30935(7) 2_645
Pt(1) Pt(1) 3.30935(7) 2_655
Zn(1) O(7) 3.41(3) 1_556
O(1) O(7) 3.13(4) 1_556
O(2) O(5) 3.514(7) 2_646
O(2) O(5) 3.514(7) 2_656
O(2) O(6) 2.63(3) 2_646
O(2) O(6) 2.63(4) 3_666
O(3) O(6) 2.67(3) 2_645
O(3) O(6) 2.67(3) 3_665
O(3) O(7) 3.391(10) 2_644
O(3) O(7) 3.391(10) 2_654
O(3) O(8) 2.79(3) 2_645
O(3) O(8) 2.79(3) 3_665
O(3) O(8) 3.17(3) 4_454
O(4) O(6) 3.05(3) 4_454
O(4) O(7) 3.587(17) 2_644
O(4) O(7) 3.587(17) 2_654
O(4) O(8) 2.67(3) 4_454
O(5) O(2) 3.514(7) 2_646
O(5) O(2) 3.514(7) 2_656
O(5) N(3) 2.74(2) 1_556
O(5) C(2) 3.551(9) 2_646
O(5) C(2) 3.551(9) 2_656
O(5) C(11) 3.508(9) 2_646
O(5) C(11) 3.508(9) 2_656
O(6) O(2) 2.63(4) 2_656
O(6) O(3) 2.67(3) 2_655
O(6) O(6) 2.27(4) 4_565
O(6) O(7) 3.07(4) 2_755
O(6) O(8) 2.92(5) 3_766
O(6) O(8) 2.96(4) 4_565
O(6) C(3) 3.34(3) 2_656
O(6) C(11) 3.57(4) 2_656
O(7) Zn(1) 3.41(3) 1_554
O(7) O(1) 3.13(4) 1_554
O(7) O(3) 3.391(10) 2_644
O(7) O(3) 3.391(10) 2_654
O(7) O(4) 3.587(16) 2_644
O(7) O(4) 3.587(16) 2_654
O(7) O(6) 3.07(4) 2_745
O(7) O(6) 3.07(4) 3_765
O(7) O(8) 2.98(4) 1_554
O(7) O(8) 2.94(4) 2_745
O(7) O(8) 2.94(4) 3_765
O(7) O(8) 2.98(4) 4_554
O(7) N(4) 2.90(2) 1_554
O(7) C(3) 3.54(4) 1_654
O(7) C(12) 3.331(5) 2_644
O(7) C(12) 3.331(5) 2_654
O(8) O(3) 2.79(3) 2_655
O(8) O(6) 2.92(5) 3_766
O(8) O(6) 2.96(4) 4_565
O(8) O(7) 2.98(4) 1_556
O(8) O(7) 2.94(4) 2_755
O(8) O(8) 2.06(6) 3_766
O(8) O(8) 3.42(3) 4_565
O(8) C(12) 3.50(4) 2_655
N(1) N(3) 3.457(6) 2_645
N(1) N(3) 3.457(6) 2_655
N(1) C(13) 3.2997(13) 2_645
N(1) C(13) 3.2997(13) 2_655
N(2) C(14) 3.3017(15) 2_645
N(2) C(14) 3.3017(15) 2_655
N(3) O(5) 2.74(2) 1_554
N(3) N(1) 3.457(6) 2_645
N(3) N(1) 3.457(6) 2_655
N(3) C(1) 3.502(7) 2_645
N(3) C(1) 3.502(7) 2_655
N(3) C(5) 3.517(6) 2_645
N(3) C(5) 3.517(6) 2_655
N(3) C(8) 3.53(2) 1_655
N(4) O(7) 2.90(2) 1_556
N(4) C(4) 3.40(2) 1_655
N(4) C(7) 3.51(2) 1_655
N(4) C(9) 3.433(5) 2_645
N(4) C(9) 3.433(5) 2_655
N(4) C(10) 3.416(6) 2_645
N(4) C(10) 3.416(6) 2_655
C(1) N(3) 3.502(7) 2_645
C(1) N(3) 3.502(7) 2_655
C(2) O(5) 3.551(9) 2_646
C(2) O(5) 3.551(9) 2_656
C(3) O(6) 3.34(3) 2_646
C(3) O(6) 3.34(3) 3_666
C(3) O(7) 3.54(4) 1_456
C(4) N(4) 3.40(2) 1_455
C(5) N(3) 3.517(6) 2_645
C(5) N(3) 3.517(6) 2_655
C(5) C(13) 3.504(7) 2_645
C(5) C(13) 3.504(7) 2_655
C(7) N(4) 3.51(2) 1_455
C(8) N(3) 3.53(2) 1_455
C(9) N(4) 3.433(5) 2_645
C(9) N(4) 3.433(5) 2_655
C(10) N(4) 3.416(6) 2_645
C(10) N(4) 3.416(6) 2_655
C(10) C(14) 3.450(6) 2_645
C(10) C(14) 3.450(6) 2_655
C(11) O(5) 3.508(9) 2_646
C(11) O(5) 3.508(9) 2_656
C(11) O(6) 3.57(4) 2_646
C(11) O(6) 3.57(4) 3_666
C(12) O(7) 3.331(5) 2_644
C(12) O(7) 3.331(5) 2_654
C(12) O(8) 3.50(4) 2_645
C(12) O(8) 3.50(4) 3_665
C(12) O(8) 3.14(3) 4_454
C(13) N(1) 3.2997(14) 2_645
C(13) N(1) 3.2997(14) 2_655
C(13) C(5) 3.504(7) 2_645
C(13) C(5) 3.504(7) 2_655
C(14) N(2) 3.3017(15) 2_645
C(14) N(2) 3.3017(15) 2_655
C(14) C(10) 3.450(6) 2_645
C(14) C(10) 3.450(6) 2_655
O(4) H(2) 3.565 2_545
O(4) H(2) 3.565 2_555
O(5) H(2) 3.597 2_646
O(5) H(2) 3.597 2_656
O(6) H(2) 2.516 2_656
O(7) H(1) 3.221 1_554
O(7) H(2) 2.810 1_654
O(7) H(3) 3.174 1_654
O(8) H(2) 3.190 2_656
N(3) H(5) 2.597 1_655
N(4) H(3) 2.448 1_655
N(4) H(4) 2.559 1_655
C(4) H(5) 3.435 2_545
C(4) H(5) 3.435 2_555
C(7) H(4) 3.369 2_545
C(7) H(4) 3.369 2_555
C(8) H(3) 3.438 2_545
C(8) H(3) 3.438 2_555
C(13) H(5) 3.222 1_655
C(14) H(3) 3.595 1_655
C(14) H(4) 3.107 1_655
H(1) O(7) 3.221 1_556
H(1) H(6) 3.449 2_645
H(1) H(6) 3.449 2_655
H(2) O(4) 3.565 2_545
H(2) O(4) 3.565 2_555
H(2) O(5) 3.597 2_646
H(2) O(5) 3.597 2_656
H(2) O(6) 2.516 2_646
H(2) O(6) 2.516 3_666
H(2) O(7) 2.810 1_456
H(2) O(8) 3.190 2_646
H(2) O(8) 3.190 3_666
H(3) O(7) 3.174 1_456
H(3) N(4) 2.448 1_455
H(3) C(8) 3.438 2_545
H(3) C(8) 3.438 2_555
H(3) C(14) 3.595 1_455
H(3) H(5) 3.290 2_545
H(3) H(5) 3.290 2_555
H(4) N(4) 2.559 1_455
H(4) C(7) 3.369 2_545
H(4) C(7) 3.369 2_555
H(4) C(14) 3.107 1_455
H(4) H(4) 3.308 2_545
H(4) H(4) 3.308 2_555
H(5) N(3) 2.597 1_455
H(5) C(4) 3.435 2_545
H(5) C(4) 3.435 2_555
H(5) C(13) 3.222 1_455
H(5) H(3) 3.290 2_545
H(5) H(3) 3.290 2_555
H(6) H(1) 3.449 2_645
H(6) H(1) 3.449 2_655
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_3
_geom_torsion_site_symmetry_4
O(1) Zn(1) O(6) O(8) -110(2) . . .
O(6) Zn(1) O(1) C(11) -102.1(9) . . .
O(1) Zn(1) O(6) O(8) 110(2) . 4_555 4_555
O(6) Zn(1) O(1) C(11) 102.1(9) 4_555 . .
O(1) Zn(1) O(8) O(6) 71(2) . . .
O(8) Zn(1) O(1) C(11) -127.6(11) . . .
O(1) Zn(1) O(8) O(6) -71(2) . 4_555 4_555
O(8) Zn(1) O(1) C(11) 127.6(11) 4_555 . .
O(4) Zn(1) O(6) O(8) 69(2) 1_656 . .
O(6) Zn(1) O(4) C(12) -77.9(9) . 1_656 1_656
O(4) Zn(1) O(6) O(8) -69(2) 1_656 4_555 4_555
O(6) Zn(1) O(4) C(12) 77.9(9) 4_555 1_656 1_656
O(4) Zn(1) O(8) O(6) -110(2) 1_656 . .
O(8) Zn(1) O(4) C(12) -52.4(11) . 1_656 1_656
O(4) Zn(1) O(8) O(6) 110(2) 1_656 4_555 4_555
O(8) Zn(1) O(4) C(12) 52.4(11) 4_555 1_656 1_656
O(5) Zn(1) O(6) O(8) 156(2) . . .
O(5) Zn(1) O(6) O(8) -156(2) . 4_555 4_555
O(5) Zn(1) O(8) O(6) -30(3) . . .
O(5) Zn(1) O(8) O(6) 30(3) . 4_555 4_555
O(6) Zn(1) O(6) O(8) 32(4) . 4_555 4_555
O(6) Zn(1) O(6) O(8) -32(4) 4_555 . .
O(6) Zn(1) O(8) O(6) -163(2) . 4_555 4_555
O(8) Zn(1) O(6) O(8) -14(3) 4_555 . .
O(6) Zn(1) O(8) O(6) 163(2) 4_555 . .
O(8) Zn(1) O(6) O(8) 14(3) . 4_555 4_555
O(8) Zn(1) O(8) O(6) -169(2) . 4_555 4_555
O(8) Zn(1) O(8) O(6) 169(2) 4_555 . .
