#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/40/4114032.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_4114032
loop_
_publ_author_name
'Wei Chen'
'Hong-Ming Yuan'
'Jia-Yu Wang'
'Zhao-Yue Liu'
'Jin-Jie Xu'
'Min Yang'
'Jie-Sheng Chen'
_publ_section_title
;
 Synthesis, Structure, and Photoelectronic Effects of a
 Uranium-Zinc-Organic Coordination Polymer Containing Infinite Metal Oxide
 Sheets
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9266
_journal_page_last               9267
_journal_paper_doi               10.1021/ja035388n
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'C14 H11 N2 O10 U1.5 Zn'
_chemical_formula_weight         789.66
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 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                 100.274(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.1221(6)
_cell_length_b                   14.6697(6)
_cell_length_c                   17.6379(8)
_cell_measurement_temperature    293(2)
_cell_volume                     3595.4(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    SHELXP-97
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.952
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       '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  0.0408
_diffrn_reflns_av_sigmaI/netI    0.0500
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14104
_diffrn_reflns_theta_full        29.98
_diffrn_reflns_theta_max         29.98
_diffrn_reflns_theta_min         1.17
_exptl_absorpt_coefficient_mu    14.873
_exptl_absorpt_correction_T_max  0.3282
_exptl_absorpt_correction_T_min  0.1718
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            Greenish_yellow
_exptl_crystal_density_diffrn    2.918
_exptl_crystal_description       Clubbed
_exptl_crystal_F_000             2856
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.027
_refine_diff_density_min         -1.645
_refine_diff_density_rms         0.342
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         5171
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.992
_refine_ls_R_factor_all          0.0474
_refine_ls_R_factor_gt           0.0284
_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)+(0.0366P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0574
_refine_ls_wR_factor_ref         0.0776
_reflns_number_gt                3964
_reflns_number_total             5171
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja035388nsi20030331_101530.cif
_cod_data_source_block           sad
_cod_original_formula_sum        'C14 H11 N2 O10 U1.50 Zn'
_cod_database_code               4114032
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'
'-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
U1 U 0.7500 0.7500 0.5000 0.01751(8) Uani 1 2 d S
U2 U 0.476885(16) 0.766666(16) 0.395190(13) 0.01647(7) Uani 1 1 d .
Zn1 Zn 0.45919(8) 1.0000 0.30267(6) 0.0206(2) Uani 1 2 d S
Zn2 Zn 0.11446(8) 1.0000 -0.04362(6) 0.0211(2) Uani 1 2 d S
C1 C 0.2599(7) 1.0000 0.2191(5) 0.0227(19) Uani 1 2 d S
H1 H 0.2946 1.0000 0.1790 0.080 Uiso 1 2 calc S
C2 C 0.2575(8) 1.0000 0.3486(5) 0.029(2) Uani 1 2 d S
H2 H 0.2899 1.0000 0.3993 0.080 Uiso 1 2 calc S
C3 C 0.1582(8) 1.0000 0.3353(6) 0.036(3) Uani 1 2 d S
H3 H 0.1249 1.0000 0.3763 0.080 Uiso 1 2 calc S
C4 C 0.1087(7) 1.0000 0.2601(6) 0.031(2) Uani 1 2 d S
H4 H 0.0418 1.0000 0.2495 0.080 Uiso 1 2 calc S
C5 C 0.1616(6) 1.0000 0.2010(5) 0.0212(19) Uani 1 2 d S
C6 C 0.1142(7) 1.0000 0.1159(5) 0.025(2) Uani 1 2 d S
C7 C 0.6348(8) 1.0000 0.2334(5) 0.028(2) Uani 1 2 d S
H7 H 0.5886 1.0000 0.1886 0.080 Uiso 1 2 calc S
C8 C 0.6749(7) 1.0000 0.3666(5) 0.027(2) Uani 1 2 d S
H8 H 0.6560 1.0000 0.4145 0.080 Uiso 1 2 calc S
C9 C 0.7709(8) 1.0000 0.3646(6) 0.032(2) Uani 1 2 d S
H9 H 0.8162 1.0000 0.4099 0.080 Uiso 1 2 calc S
C10 C 0.7997(7) 1.0000 0.2929(6) 0.029(2) Uani 1 2 d S
H10 H 0.8647 1.0000 0.2896 0.080 Uiso 1 2 calc S
C11 C 0.7303(7) 1.0000 0.2267(5) 0.026(2) Uani 1 2 d S
C12 C 0.7561(9) 1.0000 0.1462(6) 0.032(2) Uani 1 2 d S
C13 C 0.0889(5) 0.8118(4) -0.1120(4) 0.0263(15) Uani 1 1 d .
H13 H 0.0742 0.8487 -0.1554 0.080 Uiso 1 1 calc .
C14 C 0.1302(6) 0.7965(5) 0.0193(4) 0.0323(17) Uani 1 1 d .
H14 H 0.1446 0.8232 0.0678 0.080 Uiso 1 1 calc .
C15 C 0.1305(6) 0.7026(5) 0.0145(4) 0.0357(18) Uani 1 1 d .
H15 H 0.1449 0.6669 0.0587 0.080 Uiso 1 1 calc .
C16 C 0.1090(6) 0.6631(4) -0.0572(4) 0.0337(17) Uani 1 1 d .
H16 H 0.1087 0.5999 -0.0621 0.080 Uiso 1 1 calc .
C17 C 0.0879(5) 0.7173(4) -0.1217(3) 0.0230(13) Uani 1 1 d .
C18 C 0.0640(4) 0.6784(4) -0.2026(3) 0.0214(13) Uani 1 1 d .
C19 C 0.7112(5) 0.7537(4) 0.3252(4) 0.0237(14) Uani 1 1 d .
C20 C 0.6916(6) 0.7518(5) 0.2388(4) 0.0345(18) Uani 1 1 d .
H20A H 0.7506 0.7407 0.2203 0.080 Uiso 1 1 calc .
H20B H 0.6653 0.8094 0.2195 0.080 Uiso 1 1 calc .
H20C H 0.6464 0.7042 0.2212 0.080 Uiso 1 1 calc .
O1 O 0.1722(5) 1.0000 0.0690(4) 0.0299(16) Uani 1 2 d S
O2 O 0.0260(5) 1.0000 0.0994(4) 0.047(2) Uani 1 2 d S
O3 O 0.8461(6) 1.0000 0.1455(4) 0.0404(19) Uani 1 2 d S
O4 O 0.6917(6) 1.0000 0.0889(4) 0.050(2) Uani 1 2 d S
O5 O 0.0580(3) 0.5952(3) -0.2090(2) 0.0289(11) Uani 1 1 d .
O6 O 0.0533(4) 0.7375(3) -0.2570(3) 0.0284(11) Uani 1 1 d .
O7 O 0.4725(3) 0.8906(3) 0.3873(2) 0.0227(10) Uani 1 1 d .
O8 O 0.4783(3) 0.6457(3) 0.3909(3) 0.0293(11) Uani 1 1 d .
O9 O 0.6436(3) 0.7668(3) 0.3626(3) 0.0271(10) Uani 1 1 d .
O10 O 0.7964(3) 0.7419(3) 0.3623(3) 0.0287(11) Uani 1 1 d .
O11 O 0.7328(3) 0.6302(3) 0.4937(3) 0.0281(11) Uani 1 1 d .
O12 O 0.9086(3) 0.7307(3) 0.4999(2) 0.0239(10) Uani 1 1 d .
N1 N 0.3094(6) 1.0000 0.2921(4) 0.0231(16) Uani 1 2 d S
N2 N 0.6050(6) 1.0000 0.3024(4) 0.0232(17) Uani 1 2 d S
N3 N 0.1104(4) 0.8516(4) -0.0423(3) 0.0279(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'
U U -9.6767 9.6646 '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
O11 U1 O11 180.000(1) 7_666 .
O11 U1 O12 89.97(19) 7_666 .
O11 U1 O12 90.03(18) . .
O11 U1 O12 90.03(18) 7_666 7_666
O11 U1 O12 89.97(19) . 7_666
O12 U1 O12 180.000(1) . 7_666
O11 U1 O9 89.22(18) 7_666 7_666
O11 U1 O9 90.78(18) . 7_666
O12 U1 O9 65.47(14) . 7_666
O12 U1 O9 114.53(14) 7_666 7_666
O11 U1 O9 90.78(18) 7_666 .
O11 U1 O9 89.22(18) . .
O12 U1 O9 114.53(14) . .
O12 U1 O9 65.47(14) 7_666 .
O9 U1 O9 180.000(1) 7_666 .
O11 U1 O10 92.79(18) 7_666 .
O11 U1 O10 87.21(18) . .
O12 U1 O10 65.33(14) . .
O12 U1 O10 114.67(14) 7_666 .
O9 U1 O10 130.75(14) 7_666 .
O9 U1 O10 49.25(14) . .
O11 U1 O10 87.21(18) 7_666 7_666
O11 U1 O10 92.79(18) . 7_666
O12 U1 O10 114.67(14) . 7_666
O12 U1 O10 65.33(14) 7_666 7_666
O9 U1 O10 49.25(14) 7_666 7_666
O9 U1 O10 130.75(14) . 7_666
O10 U1 O10 180.000(1) . 7_666
O11 U1 C19 87.50(18) 7_666 7_666
O11 U1 C19 92.50(18) . 7_666
O12 U1 C19 89.97(17) . 7_666
O12 U1 C19 90.03(17) 7_666 7_666
O9 U1 C19 24.56(16) 7_666 7_666
O9 U1 C19 155.44(16) . 7_666
O10 U1 C19 155.29(16) . 7_666
O10 U1 C19 24.71(16) 7_666 7_666
O11 U1 C19 92.50(18) 7_666 .
O11 U1 C19 87.50(18) . .
O12 U1 C19 90.03(17) . .
O12 U1 C19 89.97(17) 7_666 .
O9 U1 C19 155.44(16) 7_666 .
O9 U1 C19 24.56(16) . .
O10 U1 C19 24.71(16) . .
O10 U1 C19 155.29(16) 7_666 .
C19 U1 C19 180.000(1) 7_666 .
O11 U1 U2 85.50(15) 7_666 7_666
O11 U1 U2 94.50(15) . 7_666
O12 U1 U2 27.46(11) . 7_666
O12 U1 U2 152.54(11) 7_666 7_666
O9 U1 U2 38.48(10) 7_666 7_666
O9 U1 U2 141.52(10) . 7_666
O10 U1 U2 92.62(10) . 7_666
O10 U1 U2 87.38(10) 7_666 7_666
C19 U1 U2 62.75(13) 7_666 7_666
C19 U1 U2 117.25(13) . 7_666
O11 U1 U2 94.50(15) 7_666 .
O11 U1 U2 85.50(15) . .
O12 U1 U2 152.54(11) . .
O12 U1 U2 27.46(11) 7_666 .
O9 U1 U2 141.52(10) 7_666 .
O9 U1 U2 38.48(10) . .
O10 U1 U2 87.38(10) . .
O10 U1 U2 92.62(10) 7_666 .
C19 U1 U2 117.25(13) 7_666 .
C19 U1 U2 62.75(13) . .
U2 U1 U2 180.0 7_666 .
O8 U2 O7 173.27(19) . .
O8 U2 O12 92.31(19) . 7_666
O7 U2 O12 93.21(17) . 7_666
O8 U2 O12 93.57(19) . 8_465
O7 U2 O12 91.87(17) . 8_465
O12 U2 O12 70.70(18) 7_666 8_465
O8 U2 O6 86.14(18) . 7_565
O7 U2 O6 87.13(16) . 7_565
O12 U2 O6 144.55(17) 7_666 7_565
O12 U2 O6 144.74(17) 8_465 7_565
O8 U2 O10 87.67(19) . 8_465
O7 U2 O10 90.74(17) . 8_465
O12 U2 O10 138.37(15) 7_666 8_465
O12 U2 O10 67.76(15) 8_465 8_465
O6 U2 O10 77.01(16) 7_565 8_465
O8 U2 O9 88.45(19) . .
O7 U2 O9 90.10(17) . .
O12 U2 O9 67.70(15) 7_666 .
O12 U2 O9 138.40(16) 8_465 .
O6 U2 O9 76.85(16) 7_565 .
O10 U2 O9 153.77(15) 8_465 .
O8 U2 U2 92.40(14) . 2_656
O7 U2 U2 94.32(13) . 2_656
O12 U2 U2 35.37(11) 7_666 2_656
O12 U2 U2 35.37(11) 8_465 2_656
O6 U2 U2 178.54(10) 7_565 2_656
O10 U2 U2 103.01(10) 8_465 2_656
O9 U2 U2 103.06(10) . 2_656
O8 U2 U1 86.61(15) . .
O7 U2 U1 96.53(13) . .
O12 U2 U1 27.82(11) 7_666 .
O12 U2 U1 98.22(11) 8_465 .
O6 U2 U1 116.92(12) 7_565 .
O10 U2 U1 164.49(10) 8_465 .
O9 U2 U1 40.37(10) . .
U2 U2 U1 62.879(7) 2_656 .
O8 U2 U1 88.55(15) . 2_656
O7 U2 U1 94.46(13) . 2_656
O12 U2 U1 98.06(11) 7_666 2_656
O12 U2 U1 27.66(11) 8_465 2_656
O6 U2 U1 117.27(12) 7_565 2_656
O10 U2 U1 40.31(10) 8_465 2_656
O9 U2 U1 165.31(10) . 2_656
U2 U2 U1 62.716(7) 2_656 2_656
U1 U2 U1 125.064(6) . 2_656
N2 Zn1 N1 174.8(3) . .
N2 Zn1 O5 88.5(2) . 7_565
N1 Zn1 O5 87.5(2) . 7_565
N2 Zn1 O5 88.5(2) . 4
N1 Zn1 O5 87.5(2) . 4
O5 Zn1 O5 81.3(2) 7_565 4
N2 Zn1 O7 92.13(18) . 6_575
N1 Zn1 O7 91.36(18) . 6_575
O5 Zn1 O7 173.10(17) 7_565 6_575
O5 Zn1 O7 91.83(17) 4 6_575
N2 Zn1 O7 92.13(18) . .
N1 Zn1 O7 91.36(18) . .
O5 Zn1 O7 91.83(17) 7_565 .
O5 Zn1 O7 173.10(17) 4 .
O7 Zn1 O7 95.0(2) 6_575 .
O3 Zn2 O1 140.3(3) 5_675 .
O3 Zn2 O2 88.3(3) 5_675 5_575
O1 Zn2 O2 131.4(3) . 5_575
O3 Zn2 N3 91.24(15) 5_675 .
O1 Zn2 N3 89.80(14) . .
O2 Zn2 N3 88.87(15) 5_575 .
O3 Zn2 N3 91.24(15) 5_675 6_575
O1 Zn2 N3 89.80(14) . 6_575
O2 Zn2 N3 88.87(15) 5_575 6_575
N3 Zn2 N3 176.6(3) . 6_575
N1 C1 C5 123.6(9) . .
N1 C1 H1 118.2 . .
C5 C1 H1 118.2 . .
N1 C2 C3 123.3(9) . .
N1 C2 H2 118.4 . .
C3 C2 H2 118.4 . .
C2 C3 C4 119.1(9) . .
C2 C3 H3 120.5 . .
C4 C3 H3 120.5 . .
C3 C4 C5 118.3(9) . .
C3 C4 H4 120.9 . .
C5 C4 H4 120.9 . .
C1 C5 C4 119.0(9) . .
C1 C5 C6 118.5(8) . .
C4 C5 C6 122.5(9) . .
O2 C6 O1 126.4(9) . .
O2 C6 C5 118.7(9) . .
O1 C6 C5 114.9(9) . .
N2 C7 C11 122.9(9) . .
N2 C7 H7 118.6 . .
C11 C7 H7 118.6 . .
N2 C8 C9 123.7(9) . .
N2 C8 H8 118.1 . .
C9 C8 H8 118.1 . .
C8 C9 C10 118.4(9) . .
C8 C9 H9 120.8 . .
C10 C9 H9 120.8 . .
C11 C10 C9 119.2(9) . .
C11 C10 H10 120.4 . .
C9 C10 H10 120.4 . .
C7 C11 C10 119.1(9) . .
C7 C11 C12 118.7(9) . .
C10 C11 C12 122.2(9) . .
O4 C12 O3 125.7(10) . .
O4 C12 C11 119.9(10) . .
O3 C12 C11 114.4(10) . .
N3 C13 C17 122.6(6) . .
N3 C13 H13 118.7 . .
C17 C13 H13 118.7 . .
N3 C14 C15 123.6(6) . .
N3 C14 H14 118.2 . .
C15 C14 H14 118.2 . .
C16 C15 C14 118.3(6) . .
C16 C15 H15 120.8 . .
C14 C15 H15 120.8 . .
C15 C16 C17 119.7(6) . .
C15 C16 H16 120.1 . .
C17 C16 H16 120.1 . .
C16 C17 C13 118.5(6) . .
C16 C17 C18 122.6(6) . .
C13 C17 C18 119.0(5) . .
O5 C18 O6 127.4(6) . .
O5 C18 C17 117.4(6) . .
O6 C18 C17 115.2(6) . .
O9 C19 O10 118.9(6) . .
O9 C19 C20 120.8(6) . .
O10 C19 C20 120.3(6) . .
O9 C19 U1 59.4(3) . .
O10 C19 U1 59.6(4) . .
C20 C19 U1 178.0(5) . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C6 O1 Zn2 116.8(6) . .
C6 O2 Zn2 165.4(8) . 5_575
C12 O3 Zn2 117.0(7) . 5_675
C18 O5 Zn1 135.7(4) . 7_565
C18 O6 U2 135.9(4) . 7_565
U2 O7 Zn1 141.7(2) . .
C19 O9 U2 159.8(4) . .
C19 O9 U1 96.1(4) . .
U2 O9 U1 101.15(16) . .
C19 O10 U2 161.9(5) . 8_565
C19 O10 U1 95.7(4) . .
U2 O10 U1 101.46(15) 8_565 .
U2 O12 U2 109.26(18) 7_666 8_565
U2 O12 U1 124.73(19) 7_666 .
U2 O12 U1 125.04(19) 8_565 .
C2 N1 C1 116.8(9) . .
C2 N1 Zn1 127.8(7) . .
C1 N1 Zn1 115.3(6) . .
C7 N2 C8 116.8(8) . .
C7 N2 Zn1 118.2(6) . .
C8 N2 Zn1 125.1(6) . .
C14 N3 C13 117.3(6) . .
C14 N3 Zn2 127.4(4) . .
C13 N3 Zn2 115.2(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 O11 1.775(5) 7_666
U1 O11 1.775(5) .
U1 O12 2.258(4) .
U1 O12 2.258(4) 7_666
U1 O9 2.625(4) 7_666
U1 O9 2.625(4) .
U1 O10 2.628(5) .
U1 O10 2.628(5) 7_666
U1 C19 3.034(7) 7_666
U1 C19 3.034(7) .
U1 U2 3.9762(3) 7_666
U1 U2 3.9762(3) .
U2 O8 1.776(4) .
U2 O7 1.824(4) .
U2 O12 2.231(4) 7_666
U2 O12 2.231(4) 8_465
U2 O6 2.400(4) 7_565
U2 O10 2.514(5) 8_465
U2 O9 2.522(4) .
U2 U2 3.6380(5) 2_656
U2 U1 3.9820(3) 2_656
Zn1 N2 2.060(8) .
Zn1 N1 2.091(8) .
Zn1 O5 2.143(4) 7_565
Zn1 O5 2.143(4) 4
Zn1 O7 2.176(4) 6_575
Zn1 O7 2.176(4) .
Zn2 O3 1.973(7) 5_675
Zn2 O1 2.009(6) .
Zn2 O2 2.051(7) 5_575
Zn2 N3 2.178(5) .
Zn2 N3 2.178(5) 6_575
C1 N1 1.350(11) .
C1 C5 1.369(12) .
C1 H1 0.9300 .
C2 N1 1.338(12) .
C2 C3 1.380(14) .
C2 H2 0.9300 .
C3 C4 1.385(14) .
C3 H3 0.9300 .
C4 C5 1.387(13) .
C4 H4 0.9300 .
C5 C6 1.531(12) .
C6 O2 1.227(11) .
C6 O1 1.263(11) .
C7 N2 1.358(11) .
C7 C11 1.374(14) .
C7 H7 0.9300 .
C8 N2 1.362(12) .
C8 C9 1.363(14) .
C8 H8 0.9300 .
C9 C10 1.395(13) .
C9 H9 0.9300 .
C10 C11 1.384(13) .
C10 H10 0.9300 .
C11 C12 1.529(13) .
C12 O4 1.233(13) .
C12 O3 1.272(13) .
C13 N3 1.344(8) .
C13 C17 1.397(9) .
C13 H13 0.9300 .
C14 N3 1.343(8) .
C14 C15 1.381(10) .
C14 H14 0.9300 .
C15 C16 1.375(9) .
C15 H15 0.9300 .
C16 C17 1.377(9) .
C16 H16 0.9300 .
C17 C18 1.519(8) .
C18 O5 1.227(7) .
C18 O6 1.281(7) .
C19 O9 1.268(8) .
C19 O10 1.274(8) .
C19 C20 1.501(10) .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
O2 Zn2 2.051(7) 5_575
O3 Zn2 1.973(7) 5_675
O5 Zn1 2.143(4) 7_565
O6 U2 2.400(4) 7_565
O10 U2 2.514(5) 8_565
O12 U2 2.231(4) 7_666
O12 U2 2.231(4) 8_565
