#------------------------------------------------------------------------------
#$Date: 2016-03-21 19:13:01 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178840 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/94/4109473.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_4109473
loop_
_publ_author_name
'Christina A. Bauer'
'Tatiana V. Timofeeva'
'Thomas B. Settersten'
'Brian D. Patterson'
'Vincent H. Liu'
'Blake A. Simmons'
'Mark D. Allendorf'
_publ_section_title
;
 Influence of Connectivity and Porosity on Ligand-Based Luminescence in
 Zinc Metal-Organic Frameworks
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7136
_journal_page_last               7144
_journal_paper_doi               10.1021/ja0700395
_journal_volume                  129
_journal_year                    2007
_chemical_formula_moiety         'C48 H30 O13 Zn4'
_chemical_formula_sum            'C48 H30 O13 Zn4'
_chemical_formula_weight         1076.20
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           58
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   30.317(12)
_cell_length_b                   19.411(8)
_cell_length_c                   24.161(9)
_cell_measurement_reflns_used    2112
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      18.0
_cell_measurement_theta_min      2.3
_cell_volume                     14218(10)
_computing_cell_refinement       'SAINT+ v. 6.2 (Bruker, 2001)'
_computing_data_collection       'APEX2  (Bruker, 2005)'
_computing_data_reduction        'SAINT+ v. 6.2 (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL v. 6.12 (Sheldrick, 2001)'
_computing_publication_material  'SHELXTL v. 6.12 (Sheldrick, 2001)'
_computing_structure_refinement  'SHELXTL v. 6.12 (Sheldrick, 2001)'
_computing_structure_solution    'SHELXTL v. 6.12 (Sheldrick, 2001)'
_diffrn_ambient_temperature      100.0(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker SMART 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  0.1229
_diffrn_reflns_av_sigmaI/netI    0.0667
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            62286
_diffrn_reflns_theta_full        18.14
_diffrn_reflns_theta_max         18.14
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    0.687
_exptl_absorpt_correction_T_max  0.875
_exptl_absorpt_correction_T_min  0.875
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2003)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    0.503
_exptl_crystal_description       prism
_exptl_crystal_F_000             2168
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.564
_refine_diff_density_min         -0.447
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     151
_refine_ls_number_reflns         5100
_refine_ls_number_restraints     78
_refine_ls_restrained_S_all      1.459
_refine_ls_R_factor_all          0.1065
_refine_ls_R_factor_gt           0.0656
_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)+(0.0800P)²+7.7000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1531
_refine_ls_wR_factor_ref         0.1662
_reflns_number_gt                2994
_reflns_number_total             5100
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ja0700395si20070103_011352.cif
_cod_data_source_block           mof25
_cod_database_code               4109473
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'x-1/2, -y-1/2, z-1/2'
'-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 0.1076(9) 0.3038(12) 0.0659(12) 0.068(13) Uani 1 1 d .
Zn2 Zn 0.0574(12) 0.1865(18) 0.0000 0.061(15) Uani 1 2 d S
Zn3 Zn 0.1603(12) 0.1882(19) 0.0000 0.065(16) Uani 1 2 d S
O1 O 0.108(7) 0.248(9) 0.0000 0.07(7) Uani 1 2 d S
O2 O 0.056(4) 0.286(8) 0.111(6) 0.09(6) Uani 1 1 d D
O3 O 0.022(5) 0.204(7) 0.063(6) 0.08(5) Uani 1 1 d D
O4 O 0.071(7) 0.090(8) 0.0000 0.07(7) Uani 1 2 d SD
O5 O 0.147(7) 0.093(8) 0.0000 0.08(8) Uani 1 2 d SD
O6 O 0.195(5) 0.207(8) 0.062(6) 0.10(6) Uani 1 1 d D
O7 O 0.159(4) 0.291(8) 0.110(7) 0.10(6) Uani 1 1 d D
O8 O 0.107(8) 0.397(6) 0.043(3) 0.15(9) Uani 1 1 d D
C1 C 0.023(5) 0.245(12) 0.106(8) 0.14(4) Uani 1 1 d D
C2 C -0.015(4) 0.250(8) 0.142(6) 0.14(4) Uani 1 1 d GD
C3 C -0.017(4) 0.302(8) 0.181(7) 0.14(4) Uani 1 1 d GD
H3A H 0.0063 0.3346 0.1837 0.171 Uiso 1 1 calc R
C4 C -0.054(4) 0.308(7) 0.215(7) 0.14(4) Uani 1 1 d GD
H4A H -0.0550 0.3434 0.2422 0.171 Uiso 1 1 calc R
C5 C -0.088(3) 0.260(7) 0.211(6) 0.14(4) Uani 1 1 d GD
C6 C -0.086(4) 0.208(8) 0.172(7) 0.14(4) Uani 1 1 d GD
H6A H -0.1092 0.1757 0.1690 0.171 Uiso 1 1 calc R
C7 C -0.049(5) 0.203(8) 0.137(7) 0.14(4) Uani 1 1 d GD
H7A H -0.0480 0.1669 0.1105 0.171 Uiso 1 1 calc R
C8 C -0.126(5) 0.266(10) 0.247(8) 0.14(4) Uani 1 1 d D
H8A H -0.1244 0.3026 0.2731 0.171 Uiso 1 1 calc R
C9 C 0.110(11) 0.057(6) 0.0000 0.27(11) Uani 1 2 d SD
C10 C 0.110(7) -0.016(6) 0.0000 0.27(11) Uani 1 2 d SD
C11 C 0.070(6) -0.053(8) 0.0000 0.27(11) Uani 1 2 d SD
H11A H 0.0431 -0.0292 0.0000 0.321 Uiso 1 2 calc SR
C12 C 0.071(6) -0.126(8) 0.0000 0.27(11) Uani 1 2 d SD
H12A H 0.0444 -0.1510 0.0000 0.321 Uiso 1 2 calc SR
C13 C 0.112(6) -0.161(6) 0.0000 0.27(11) Uani 1 2 d SD
C14 C 0.152(5) -0.124(8) 0.0000 0.27(11) Uani 1 2 d SD
H14A H 0.1790 -0.1477 0.0000 0.321 Uiso 1 2 calc SR
C15 C 0.151(6) -0.051(8) 0.0000 0.27(11) Uani 1 2 d SD
H15A H 0.1778 -0.0259 0.0000 0.321 Uiso 1 2 calc SR
C16 C 0.113(9) -0.234(6) 0.0000 0.27(11) Uani 1 2 d SD
H16A H 0.1409 -0.2554 0.0000 0.321 Uiso 1 2 calc SR
C17 C 0.193(5) 0.249(11) 0.105(8) 0.14(4) Uani 1 1 d D
C18 C 0.230(4) 0.255(8) 0.142(6) 0.14(4) Uani 1 1 d GD
C19 C 0.265(5) 0.210(8) 0.136(6) 0.14(4) Uani 1 1 d GD
H19A H 0.2651 0.1753 0.1086 0.171 Uiso 1 1 calc R
C20 C 0.301(4) 0.216(7) 0.172(7) 0.14(4) Uani 1 1 d GD
H20A H 0.3254 0.1848 0.1687 0.171 Uiso 1 1 calc R
C21 C 0.301(3) 0.266(7) 0.213(6) 0.14(4) Uani 1 1 d GD
C22 C 0.266(4) 0.311(7) 0.218(7) 0.14(4) Uani 1 1 d GD
H22A H 0.2661 0.3455 0.2458 0.171 Uiso 1 1 calc R
C23 C 0.230(4) 0.305(8) 0.182(7) 0.14(4) Uani 1 1 d GD
H23A H 0.2059 0.3360 0.1857 0.171 Uiso 1 1 calc R
C24 C 0.339(5) 0.272(10) 0.250(8) 0.14(4) Uani 1 1 d D
H24A H 0.3368 0.3084 0.2761 0.171 Uiso 1 1 calc R
C25 C 0.105(12) 0.435(7) 0.0000 0.27(11) Uani 1 2 d SD
C26 C 0.099(9) 0.506(6) 0.0000 0.27(11) Uani 1 2 d SD
C27 C 0.135(7) 0.552(9) 0.0000 0.27(11) Uani 1 2 d SD
H27A H 0.1641 0.5339 0.0000 0.321 Uiso 1 2 calc SR
C28 C 0.129(6) 0.624(9) 0.0000 0.27(11) Uani 1 2 d SD
H28A H 0.1532 0.6540 0.0000 0.321 Uiso 1 2 calc SR
C29 C 0.085(6) 0.650(6) 0.0000 0.27(11) Uani 1 2 d SD
C30 C 0.049(6) 0.606(8) 0.0000 0.27(11) Uani 1 2 d SD
H30A H 0.0201 0.6245 0.0000 0.321 Uiso 1 2 calc SR
C31 C 0.055(8) 0.534(8) 0.0000 0.27(11) Uani 1 2 d SD
H31A H 0.0301 0.5038 0.0000 0.321 Uiso 1 2 calc SR
C32 C 0.079(8) 0.723(6) 0.0000 0.27(11) Uani 1 2 d SD
H32A H 0.0497 0.7416 0.0000 0.321 Uiso 1 2 calc SR
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'
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
O8 Zn1 O7 107(8) . .
O8 Zn1 O1 107(5) . .
O7 Zn1 O1 112(8) . .
O8 Zn1 O2 109(8) . .
O7 Zn1 O2 109(7) . .
O1 Zn1 O2 112(7) . .
O3 Zn2 O3 106(10) 6 .
O3 Zn2 O4 107(6) 6 .
O3 Zn2 O4 107(6) . .
O3 Zn2 O1 110(6) 6 .
O3 Zn2 O1 110(6) . .
O4 Zn2 O1 115(8) . .
O6 Zn3 O6 108(10) . 6
O6 Zn3 O5 108(6) . .
O6 Zn3 O5 108(6) 6 .
O6 Zn3 O1 109(6) . .
O6 Zn3 O1 109(6) 6 .
O5 Zn3 O1 114(8) . .
Zn1 O1 Zn1 112(9) . 6
Zn1 O1 Zn2 109(7) . .
Zn1 O1 Zn2 109(7) 6 .
Zn1 O1 Zn3 110(7) . .
Zn1 O1 Zn3 110(7) 6 .
Zn2 O1 Zn3 106(8) . .
C1 O2 Zn1 133(10) . .
C1 O3 Zn2 137(10) . .
C9 O4 Zn2 131(10) . .
C9 O5 Zn3 133(10) . .
C17 O6 Zn3 137(10) . .
C17 O7 Zn1 132(10) . .
C25 O8 Zn1 142(8) . .
O2 C1 O3 118(10) . .
O2 C1 C2 121(10) . .
O3 C1 C2 120(10) . .
C3 C2 C7 120.0 . .
C3 C2 C1 120(14) . .
C7 C2 C1 120(15) . .
C2 C3 C4 120.0 . .
C2 C3 H3A 120.0 . .
C4 C3 H3A 120.0 . .
C5 C4 C3 120.0 . .
C5 C4 H4A 120.0 . .
C3 C4 H4A 120.0 . .
C6 C5 C4 120.0 . .
C6 C5 C8 120(12) . .
C4 C5 C8 120(13) . .
C5 C6 C7 120.0 . .
C5 C6 H6A 120.0 . .
C7 C6 H6A 120.0 . .
C6 C7 C2 120.0 . .
C6 C7 H7A 120.0 . .
C2 C7 H7A 120.0 . .
C24 C8 C5 130(9) 4_455 .
C24 C8 H8A 114.8 4_455 .
C5 C8 H8A 114.8 . .
O5 C9 O4 120(10) . .
O5 C9 C10 120(10) . .
O4 C9 C10 120(10) . .
C11 C10 C15 120(13) . .
C11 C10 C9 120(13) . .
C15 C10 C9 120(13) . .
C10 C11 C12 119(16) . .
C10 C11 H11A 120.1 . .
C12 C11 H11A 120.1 . .
C13 C12 C11 120(15) . .
C13 C12 H12A 120.1 . .
C11 C12 H12A 120.1 . .
C12 C13 C14 121(12) . .
C12 C13 C16 120(17) . .
C14 C13 C16 119(17) . .
C13 C14 C15 119(14) . .
C13 C14 H14A 120.1 . .
C15 C14 H14A 120.1 . .
C10 C15 C14 120(15) . .
C10 C15 H15A 120.1 . .
C14 C15 H15A 120.1 . .
C32 C16 C13 128(10) 1_545 .
C32 C16 H16A 116.2 1_545 .
C13 C16 H16A 116.2 . .
O6 C17 O7 120(10) . .
O6 C17 C18 120(10) . .
O7 C17 C18 120(10) . .
C19 C18 C23 120.0 . .
C19 C18 C17 119(15) . .
C23 C18 C17 120(13) . .
C18 C19 C20 120.0 . .
C18 C19 H19A 120.0 . .
C20 C19 H19A 120.0 . .
C19 C20 C21 120.0 . .
C19 C20 H20A 120.0 . .
C21 C20 H20A 120.0 . .
C22 C21 C20 120.0 . .
C22 C21 C24 120(13) . .
C20 C21 C24 120(12) . .
C21 C22 C23 120.0 . .
C21 C22 H22A 120.0 . .
C23 C22 H22A 120.0 . .
C22 C23 C18 120.0 . .
C22 C23 H23A 120.0 . .
C18 C23 H23A 120.0 . .
C8 C24 C21 129(9) 4 .
C8 C24 H24A 115.3 4 .
C21 C24 H24A 115.3 . .
O8 C25 O8 110(9) 6 .
O8 C25 C26 125(4) 6 .
O8 C25 C26 125(4) . .
C27 C26 C25 122(14) . .
C27 C26 C31 119(14) . .
C25 C26 C31 118(13) . .
C26 C27 C28 122(18) . .
C26 C27 H27A 119.4 . .
C28 C27 H27A 119.4 . .
C29 C28 C27 118(16) . .
C29 C28 H28A 120.3 . .
C27 C28 H28A 120.3 . .
C30 C29 C28 121(13) . .
C30 C29 C32 121(17) . .
C28 C29 C32 118(16) . .
C29 C30 C31 121(17) . .
C29 C30 H30A 119.5 . .
C31 C30 H30A 119.5 . .
C30 C31 C26 120(18) . .
C30 C31 H31A 120.7 . .
C26 C31 H31A 120.7 . .
C16 C32 C29 121(10) 1_565 .
C16 C32 H32A 119.7 1_565 .
C29 C32 H32A 119.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O8 1.89(11) .
Zn1 O7 1.91(12) .
Zn1 O1 1.93(10) .
Zn1 O2 1.94(11) .
Zn2 O3 1.89(11) .
Zn2 O4 1.91(15) .
Zn2 O1 2.0(2) .
Zn3 O6 1.87(12) .
Zn3 O5 1.90(15) .
Zn3 O1 1.95(19) .
O2 C1 1.30(15) .
O3 C1 1.30(15) .
O4 C9 1.3(2) .
O5 C9 1.3(2) .
O6 C17 1.31(15) .
O7 C17 1.31(16) .
O8 C25 1.3(3) .
C1 C2 1.4(3) .
C2 C3 1.3900 .
C2 C7 1.3900 .
C3 C4 1.3900 .
C3 H3A 0.9500 .
C4 C5 1.3900 .
C4 H4A 0.9500 .
C5 C6 1.3900 .
C5 C8 1.4(3) .
C6 C7 1.3900 .
C6 H6A 0.9500 .
C7 H7A 0.9500 .
C8 C24 1.3(3) 4_455
C8 H8A 0.9500 .
C9 C10 1.4(4) .
C10 C11 1.4(3) .
C10 C15 1.4(3) .
C11 C12 1.4(3) .
C11 H11A 0.9500 .
C12 C13 1.4(3) .
C12 H12A 0.9500 .
C13 C14 1.4(3) .
C13 C16 1.4(4) .
C14 C15 1.4(3) .
C14 H14A 0.9500 .
C15 H15A 0.9500 .
C16 C32 1.3(3) 1_545
C16 H16A 0.9500 .
C17 C18 1.4(3) .
C18 C19 1.3900 .
C18 C23 1.3900 .
C19 C20 1.3900 .
C19 H19A 0.9500 .
C20 C21 1.3900 .
C20 H20A 0.9500 .
C21 C22 1.3900 .
C21 C24 1.4(3) .
C22 C23 1.3900 .
C22 H22A 0.9500 .
C23 H23A 0.9500 .
C24 H24A 0.9500 .
C25 C26 1.4(3) .
C26 C27 1.4(3) .
C26 C31 1.5(5) .
C27 C28 1.4(3) .
C27 H27A 0.9500 .
C28 C29 1.4(3) .
C28 H28A 0.9500 .
C29 C30 1.4(3) .
C29 C32 1.4(4) .
C30 C31 1.4(6) .
C30 H30A 0.9500 .
C31 H31A 0.9500 .
C32 H32A 0.9500 .
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_4
O8 Zn1 O1 Zn1 -1(13) . 6
O7 Zn1 O1 Zn1 -118(10) . 6
O2 Zn1 O1 Zn1 119(9) . 6
O8 Zn1 O1 Zn2 -122(9) . .
O7 Zn1 O1 Zn2 121(9) . .
O2 Zn1 O1 Zn2 -3(10) . .
O8 Zn1 O1 Zn3 122(10) . .
O7 Zn1 O1 Zn3 5(10) . .
O2 Zn1 O1 Zn3 -119(9) . .
O3 Zn2 O1 Zn1 120(7) 6 .
O3 Zn2 O1 Zn1 3(10) . .
O4 Zn2 O1 Zn1 -119(7) . .
O3 Zn2 O1 Zn1 -3(10) 6 6
O3 Zn2 O1 Zn1 -120(7) . 6
O4 Zn2 O1 Zn1 119(7) . 6
O3 Zn2 O1 Zn3 -122(5) 6 .
O3 Zn2 O1 Zn3 122(5) . .
O6 Zn3 O1 Zn1 -3(11) . .
O6 Zn3 O1 Zn1 -121(8) 6 .
O5 Zn3 O1 Zn1 118(7) . .
O6 Zn3 O1 Zn1 121(8) . 6
O6 Zn3 O1 Zn1 3(11) 6 6
O5 Zn3 O1 Zn1 -118(7) . 6
O6 Zn3 O1 Zn2 -121(6) . .
O6 Zn3 O1 Zn2 121(6) 6 .
O8 Zn1 O2 C1 119(20) . .
O7 Zn1 O2 C1 -124(20) . .
O1 Zn1 O2 C1 1(22) . .
O3 Zn2 O3 C1 -121(20) 6 .
O4 Zn2 O3 C1 124(21) . .
O1 Zn2 O3 C1 -2(23) . .
O3 Zn2 O4 C9 123(5) 6 .
O3 Zn2 O4 C9 -123(5) . .
O6 Zn3 O5 C9 122(6) . .
O6 Zn3 O5 C9 -122(6) 6 .
O6 Zn3 O6 C17 118(22) 6 .
O5 Zn3 O6 C17 -126(23) . .
O1 Zn3 O6 C17 -1(25) . .
O8 Zn1 O7 C17 -123(20) . .
O1 Zn1 O7 C17 -6(22) . .
O2 Zn1 O7 C17 119(20) . .
O7 Zn1 O8 C25 125(40) . .
O1 Zn1 O8 C25 4(42) . .
O2 Zn1 O8 C25 -117(40) . .
Zn1 O2 C1 O3 1(33) . .
Zn1 O2 C1 C2 -170(9) . .
Zn2 O3 C1 C2 171(10) . .
O2 C1 C2 C3 3(18) . .
O3 C1 C2 C3 -168(18) . .
O2 C1 C2 C7 -177(18) . .
O3 C1 C2 C7 12(18) . .
Zn3 O6 C17 C18 -171(12) . .
Zn1 O7 C17 O6 3(34) . .
Zn1 O7 C17 C18 175(9) . .
O6 C17 C18 C19 -8(18) . .
O7 C17 C18 C19 -180(18) . .
O6 C17 C18 C23 172(18) . .
C22 C21 C24 C8 178(22) . 4
C20 C21 C24 C8 -2(22) . 4
Zn1 O8 C25 O8 -6(65) . 6
Zn1 O8 C25 C26 171(19) . .
O8 C25 C26 C27 -92(29) 6 .
O8 C25 C26 C27 92(29) . .
O8 C25 C26 C31 88(29) 6 .
O8 C25 C26 C31 -88(29) . .
