#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/25/4502549.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_4502549
loop_
_publ_author_name
'Liang, Li-Li'
'Ren, Shi-Bin'
'Zhang, Jun'
'Li, Yi-Zhi'
'Du, Hong-Bin'
'You, Xiao-Zeng'
_publ_section_title
;
 Two Thermostable Three-Dimensional Homochiral Metal−Organic
 Polymers with Quartz Topology
;
_journal_issue                   3
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1307
_journal_paper_doi               10.1021/cg901353e
_journal_volume                  10
_journal_year                    2010
_chemical_absolute_configuration rmad
_chemical_formula_moiety         {Zn2[C(CH2OC5H4N)4](C10H14O4)2},2(H2O)
_chemical_formula_sum            'C45 H56 N4 O14 Zn2'
_chemical_formula_weight         1007.68
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           18
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_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            2
_cell_length_a                   14.373(2)
_cell_length_b                   18.920(3)
_cell_length_c                   8.7804(13)
_cell_measurement_reflns_used    2802
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      23.010
_cell_measurement_theta_min      2.556
_cell_volume                     2387.7(6)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Smart Apex 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  0.0448
_diffrn_reflns_av_sigmaI/netI    0.0711
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            13073
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.32
_exptl_absorpt_coefficient_mu    1.073
_exptl_absorpt_correction_T_max  0.8471
_exptl_absorpt_correction_T_min  0.8304
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.402
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             1052
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.259
_refine_diff_density_min         -0.484
_refine_diff_density_rms         0.066
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.013(17)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         4693
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0655
_refine_ls_R_factor_gt           0.0543
_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)+(0.0557P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1080
_refine_ls_wR_factor_ref         0.1104
_reflns_number_gt                3690
_reflns_number_total             4693
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg901353e_si_002.cif
_cod_data_source_block           1
_cod_original_sg_symbol_Hall     'P 2 2ab '
_cod_original_sg_symbol_H-M      P21212
_cod_database_code               4502549
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -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
C1 C 0.1205(3) 0.7966(2) 1.1063(5) 0.0374(10) Uani 1 1 d .
H1 H 0.1081 0.7485 1.1146 0.045 Uiso 1 1 calc R
C2 C 0.0932(3) 0.8388(2) 1.2217(4) 0.0343(10) Uani 1 1 d .
H2 H 0.0645 0.8197 1.3074 0.041 Uiso 1 1 calc R
C3 C 0.1086(3) 0.9118(2) 1.2105(5) 0.0343(9) Uani 1 1 d .
C4 C 0.1558(3) 0.9360(2) 1.0816(5) 0.0380(10) Uani 1 1 d .
H4 H 0.1696 0.9837 1.0708 0.046 Uiso 1 1 calc R
C5 C 0.1815(3) 0.8891(2) 0.9724(5) 0.0336(9) Uani 1 1 d .
H5 H 0.2126 0.9062 0.8871 0.040 Uiso 1 1 calc R
C6 C 0.0251(3) 0.9365(2) 1.4362(5) 0.0316(9) Uani 1 1 d .
H6A H 0.0552 0.9008 1.4982 0.038 Uiso 1 1 calc R
H6B H -0.0307 0.9161 1.3923 0.038 Uiso 1 1 calc R
C7 C 0.2460(3) 0.6285(2) 1.0480(5) 0.0403(11) Uani 1 1 d .
H7 H 0.1840 0.6161 1.0333 0.048 Uiso 1 1 calc R
C8 C 0.2946(3) 0.5921(2) 1.1512(5) 0.0392(10) Uani 1 1 d .
H8 H 0.2666 0.5555 1.2050 0.047 Uiso 1 1 calc R
C9 C 0.3874(3) 0.6093(2) 1.1779(5) 0.0342(9) Uani 1 1 d .
C10 C 0.4224(3) 0.6662(2) 1.0991(5) 0.0395(11) Uani 1 1 d .
H10 H 0.4824 0.6822 1.1183 0.047 Uiso 1 1 calc R
C11 C 0.3682(3) 0.6989(2) 0.9925(5) 0.0379(10) Uani 1 1 d .
H11 H 0.3945 0.7356 0.9365 0.045 Uiso 1 1 calc R
C12 C 0.4165(3) 0.5194(2) 1.3672(5) 0.0403(11) Uani 1 1 d .
H12A H 0.3998 0.4802 1.3014 0.048 Uiso 1 1 calc R
H12B H 0.3632 0.5313 1.4300 0.048 Uiso 1 1 calc R
C13 C 0.5000 0.5000 1.4666(7) 0.0358(14) Uani 1 2 d S
C14 C 0.2899(3) 0.8356(2) 0.6196(5) 0.0415(10) Uani 1 1 d .
C15 C 0.3616(3) 0.8749(2) 0.5255(5) 0.0396(10) Uani 1 1 d .
C16 C 0.3249(3) 0.8938(3) 0.3674(6) 0.0450(11) Uani 1 1 d .
H16A H 0.2856 0.8562 0.3286 0.054 Uiso 1 1 calc R
H16B H 0.2887 0.9370 0.3714 0.054 Uiso 1 1 calc R
C17 C 0.4090(3) 0.9034(3) 0.2664(6) 0.0404(11) Uani 1 1 d .
H17A H 0.4178 0.9531 0.2428 0.049 Uiso 1 1 calc R
H17B H 0.4010 0.8777 0.1718 0.049 Uiso 1 1 calc R
C18 C 0.4923(3) 0.8752(2) 0.3527(5) 0.0406(11) Uani 1 1 d .
H18 H 0.5264 0.9160 0.3929 0.049 Uiso 1 1 calc R
C19 C 0.4531(3) 0.8334(2) 0.4924(6) 0.0387(10) Uani 1 1 d .
C20 C 0.5599(3) 0.8330(3) 0.2562(6) 0.0414(11) Uani 1 1 d .
C21 C 0.5228(3) 0.8312(2) 0.6225(5) 0.0410(11) Uani 1 1 d .
H21A H 0.4943 0.8100 0.7102 0.061 Uiso 1 1 calc R
H21B H 0.5421 0.8784 0.6468 0.061 Uiso 1 1 calc R
H21C H 0.5759 0.8038 0.5926 0.061 Uiso 1 1 calc R
C22 C 0.4325(3) 0.7561(3) 0.4460(5) 0.0404(10) Uani 1 1 d .
H22A H 0.4888 0.7341 0.4110 0.061 Uiso 1 1 calc R
H22B H 0.3871 0.7556 0.3658 0.061 Uiso 1 1 calc R
H22C H 0.4089 0.7307 0.5323 0.061 Uiso 1 1 calc R
C23 C 0.3782(3) 0.9446(2) 0.6117(6) 0.0435(11) Uani 1 1 d .
H23A H 0.3203 0.9695 0.6222 0.065 Uiso 1 1 calc R
H23B H 0.4215 0.9733 0.5558 0.065 Uiso 1 1 calc R
H23C H 0.4031 0.9345 0.7107 0.065 Uiso 1 1 calc R
N1 N 0.1640(3) 0.81896(19) 0.9810(4) 0.0376(8) Uani 1 1 d .
N2 N 0.2805(2) 0.68180(18) 0.9639(4) 0.0340(8) Uani 1 1 d .
O1 O 0.0873(2) 0.95968(15) 1.3166(4) 0.0386(7) Uani 1 1 d .
O2 O 0.4450(2) 0.57931(18) 1.2785(4) 0.0437(9) Uani 1 1 d .
H1A H 0.9700 0.5389 0.0531 0.052 Uiso 0.604(7) 1 d PR
H1B H 0.9773 0.6171 0.0501 0.052 Uiso 0.604(7) 1 d PR
O3 O 0.3143(2) 0.79269(16) 0.7213(4) 0.0418(8) Uani 1 1 d .
O4 O 0.2048(2) 0.84910(16) 0.6015(4) 0.0433(7) Uani 1 1 d .
O5 O 0.6328(2) 0.81189(16) 0.3161(4) 0.0458(8) Uani 1 1 d .
O6 O 0.5442(2) 0.81950(18) 0.1196(4) 0.0486(9) Uani 1 1 d .
O1WA O 1.0084(4) 0.5727(3) 0.0650(6) 0.0413(15) Uani 0.604(7) 1 d P
O1WB O 0.2653(5) 0.6047(4) 0.5592(8) 0.032(2) Uani 0.396(7) 1 d P
H1C H 0.2436 0.6526 0.5540 0.038 Uiso 0.396(7) 1 d PR
H1D H 0.2318 0.5798 0.6371 0.038 Uiso 0.396(7) 1 d PR
Zn1 Zn 0.20667(3) 0.74747(3) 0.81780(5) 0.03271(13) Uani 1 1 d .
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
N1 C1 C2 124.7(4) . .
N1 C1 H1 117.7 . .
C2 C1 H1 117.7 . .
C1 C2 C3 118.9(4) . .
C1 C2 H2 120.5 . .
C3 C2 H2 120.5 . .
O1 C3 C4 117.1(4) . .
O1 C3 C2 125.6(4) . .
C4 C3 C2 117.1(4) . .
C5 C4 C3 119.4(4) . .
C5 C4 H4 120.3 . .
C3 C4 H4 120.3 . .
N1 C5 C4 123.4(4) . .
N1 C5 H5 118.3 . .
C4 C5 H5 118.3 . .
O1 C6 C13 108.4(3) . 3_468
O1 C6 H6A 110.0 . .
C13 C6 H6A 110.0 3_468 .
O1 C6 H6B 110.0 . .
C13 C6 H6B 110.0 3_468 .
H6A C6 H6B 108.4 . .
C8 C7 N2 124.5(4) . .
C8 C7 H7 117.8 . .
N2 C7 H7 117.8 . .
C7 C8 C9 119.7(4) . .
C7 C8 H8 120.1 . .
C9 C8 H8 120.1 . .
O2 C9 C10 116.0(4) . .
O2 C9 C8 127.3(4) . .
C10 C9 C8 116.6(4) . .
C11 C10 C9 119.4(4) . .
C11 C10 H10 120.3 . .
C9 C10 H10 120.3 . .
N2 C11 C10 124.1(4) . .
N2 C11 H11 117.9 . .
C10 C11 H11 117.9 . .
O2 C12 C13 106.0(3) . .
O2 C12 H12A 110.5 . .
C13 C12 H12A 110.5 . .
O2 C12 H12B 110.5 . .
C13 C12 H12B 110.5 . .
H12A C12 H12B 108.7 . .
C6 C13 C6 111.5(5) 3_568 4_548
C6 C13 C12 108.5(2) 3_568 .
C6 C13 C12 108.9(2) 4_548 .
C6 C13 C12 108.9(2) 3_568 2_665
C6 C13 C12 108.5(2) 4_548 2_665
C12 C13 C12 110.4(5) . 2_665
O3 C14 O4 119.4(4) . .
O3 C14 C15 121.0(4) . .
O4 C14 C15 119.4(4) . .
C14 C15 C16 112.1(4) . .
C14 C15 C23 105.0(4) . .
C16 C15 C23 107.5(4) . .
C14 C15 C19 115.3(4) . .
C16 C15 C19 103.9(4) . .
C23 C15 C19 113.1(4) . .
C17 C16 C15 106.6(4) . .
C17 C16 H16A 110.4 . .
C15 C16 H16A 110.4 . .
C17 C16 H16B 110.4 . .
C15 C16 H16B 110.4 . .
H16A C16 H16B 108.6 . .
C16 C17 C18 107.3(4) . .
C16 C17 H17A 110.3 . .
C18 C17 H17A 110.3 . .
C16 C17 H17B 110.3 . .
C18 C17 H17B 110.3 . .
H17A C17 H17B 108.5 . .
C17 C18 C20 114.3(4) . .
C17 C18 C19 106.6(4) . .
C20 C18 C19 113.7(4) . .
C17 C18 H18 107.3 . .
C20 C18 H18 107.3 . .
C19 C18 H18 107.3 . .
C21 C19 C22 107.4(4) . .
C21 C19 C15 115.4(4) . .
C22 C19 C15 111.4(4) . .
C21 C19 C18 111.4(4) . .
C22 C19 C18 109.9(4) . .
C15 C19 C18 101.2(3) . .
O5 C20 O6 119.7(5) . .
O5 C20 C18 118.3(4) . .
O6 C20 C18 122.0(5) . .
C19 C21 H21A 109.5 . .
C19 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C19 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C19 C22 H22A 109.5 . .
C19 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C19 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C15 C23 H23A 109.5 . .
C15 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C15 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C1 N1 C5 116.4(4) . .
C1 N1 Zn1 120.3(3) . .
C5 N1 Zn1 123.3(3) . .
C11 N2 C7 115.5(4) . .
C11 N2 Zn1 117.2(3) . .
C7 N2 Zn1 126.8(3) . .
C3 O1 C6 116.3(3) . .
C9 O2 C12 121.1(3) . .
C14 O3 Zn1 111.7(3) . .
C20 O5 Zn1 113.1(3) . 3_566
H1A O1WA H1B 109.8 . .
H1C O1WB H1D 109.5 . .
O5 Zn1 O3 114.98(15) 3_466 .
O5 Zn1 N1 129.57(15) 3_466 .
O3 Zn1 N1 104.38(14) . .
O5 Zn1 N2 107.91(14) 3_466 .
O3 Zn1 N2 97.18(13) . .
N1 Zn1 N2 96.59(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.334(6) .
C1 C2 1.348(6) .
C1 H1 0.9300 .
C2 C3 1.403(6) .
C2 H2 0.9300 .
C3 O1 1.335(5) .
C3 C4 1.396(6) .
C4 C5 1.356(6) .
C4 H4 0.9300 .
C5 N1 1.353(5) .
C5 H5 0.9300 .
C6 O1 1.447(5) .
C6 C13 1.516(5) 3_468
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C8 1.335(6) .
C7 N2 1.345(6) .
C7 H7 0.9300 .
C8 C9 1.392(6) .
C8 H8 0.9300 .
C9 O2 1.337(5) .
C9 C10 1.375(6) .
C10 C11 1.366(6) .
C10 H10 0.9300 .
C11 N2 1.325(6) .
C11 H11 0.9300 .
C12 O2 1.435(5) .
C12 C13 1.529(6) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C6 1.516(5) 3_568
C13 C6 1.516(5) 4_548
C13 C12 1.529(6) 2_665
C14 O3 1.256(5) .
C14 O4 1.260(6) .
C14 C15 1.515(6) .
C15 C16 1.528(7) .
C15 C23 1.538(6) .
C15 C19 1.560(6) .
C16 C17 1.511(7) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 C18 1.514(6) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 C20 1.516(6) .
C18 C19 1.565(6) .
C18 H18 0.9800 .
C19 C21 1.519(6) .
C19 C22 1.546(6) .
C20 O5 1.238(6) .
C20 O6 1.247(6) .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
N1 Zn1 2.064(4) .
N2 Zn1 2.078(3) .
O3 Zn1 1.960(3) .
O5 Zn1 1.942(3) 3_566
O1WA H1A 0.8500 .
O1WA H1B 0.9601 .
O1WB H1C 0.9600 .
O1WB H1D 0.9599 .
Zn1 O5 1.942(3) 3_466
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
N1 C1 C2 C3 1.7(7) . .
C1 C2 C3 O1 -178.5(4) . .
C1 C2 C3 C4 -2.9(6) . .
O1 C3 C4 C5 178.2(4) . .
C2 C3 C4 C5 2.2(6) . .
C3 C4 C5 N1 -0.3(7) . .
N2 C7 C8 C9 0.6(7) . .
C7 C8 C9 O2 178.6(4) . .
C7 C8 C9 C10 3.0(7) . .
O2 C9 C10 C11 179.0(4) . .
C8 C9 C10 C11 -4.9(7) . .
C9 C10 C11 N2 3.6(8) . .
O2 C12 C13 C6 58.6(5) . 3_568
O2 C12 C13 C6 -179.8(3) . 4_548
O2 C12 C13 C12 -60.8(3) . 2_665
O3 C14 C15 C16 151.7(4) . .
O4 C14 C15 C16 -32.3(6) . .
O3 C14 C15 C23 -91.9(5) . .
O4 C14 C15 C23 84.0(5) . .
O3 C14 C15 C19 33.2(6) . .
O4 C14 C15 C19 -150.8(4) . .
C14 C15 C16 C17 -156.7(4) . .
C23 C15 C16 C17 88.4(4) . .
C19 C15 C16 C17 -31.7(5) . .
C15 C16 C17 C18 12.1(5) . .
C16 C17 C18 C20 138.8(4) . .
C16 C17 C18 C19 12.2(5) . .
C14 C15 C19 C21 -78.8(5) . .
C16 C15 C19 C21 158.2(4) . .
C23 C15 C19 C21 42.0(5) . .
C14 C15 C19 C22 44.0(6) . .
C16 C15 C19 C22 -79.0(4) . .
C23 C15 C19 C22 164.8(4) . .
C14 C15 C19 C18 160.7(4) . .
C16 C15 C19 C18 37.8(4) . .
C23 C15 C19 C18 -78.5(5) . .
C17 C18 C19 C21 -154.1(4) . .
C20 C18 C19 C21 79.0(5) . .
C17 C18 C19 C22 87.0(4) . .
C20 C18 C19 C22 -40.0(5) . .
C17 C18 C19 C15 -30.8(5) . .
C20 C18 C19 C15 -157.8(4) . .
C17 C18 C20 O5 175.5(4) . .
C19 C18 C20 O5 -61.7(6) . .
C17 C18 C20 O6 -4.2(6) . .
C19 C18 C20 O6 118.7(5) . .
C2 C1 N1 C5 0.3(7) . .
C2 C1 N1 Zn1 177.4(4) . .
C4 C5 N1 C1 -1.0(7) . .
C4 C5 N1 Zn1 -178.0(4) . .
C10 C11 N2 C7 0.0(7) . .
C10 C11 N2 Zn1 172.0(4) . .
C8 C7 N2 C11 -2.1(7) . .
C8 C7 N2 Zn1 -173.3(4) . .
C4 C3 O1 C6 169.9(4) . .
C2 C3 O1 C6 -14.6(6) . .
C13 C6 O1 C3 -173.1(3) 3_468 .
C10 C9 O2 C12 -179.8(4) . .
C8 C9 O2 C12 4.6(7) . .
C13 C12 O2 C9 179.5(4) . .
O4 C14 O3 Zn1 6.2(6) . .
C15 C14 O3 Zn1 -177.8(3) . .
O6 C20 O5 Zn1 -5.0(6) . 3_566
C18 C20 O5 Zn1 175.4(3) . 3_566
C14 O3 Zn1 O5 64.3(3) . 3_466
C14 O3 Zn1 N1 -83.3(3) . .
C14 O3 Zn1 N2 177.9(3) . .
C1 N1 Zn1 O5 66.8(4) . 3_466
C5 N1 Zn1 O5 -116.2(4) . 3_466
C1 N1 Zn1 O3 -152.1(3) . .
C5 N1 Zn1 O3 24.8(4) . .
C1 N1 Zn1 N2 -53.0(4) . .
C5 N1 Zn1 N2 124.0(4) . .
C11 N2 Zn1 O5 138.7(3) . 3_466
C7 N2 Zn1 O5 -50.2(4) . 3_466
C11 N2 Zn1 O3 19.5(3) . .
C7 N2 Zn1 O3 -169.4(4) . .
C11 N2 Zn1 N1 -86.0(3) . .
C7 N2 Zn1 N1 85.1(4) . .
