#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:28:00 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179632 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/96/4509688.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_4509688
loop_
_publ_author_name
'Chang, Ze'
'Zhang, Ai-Shun'
'Hu, Tong-Liang'
'Bu, Xian-He'
_publ_section_title
;
 ZnIICoordination Poylmers Based on 2,3,6,7-Anthracenetetracarboxylic
 Acid: Synthesis, Structures, and Luminescence Properties
;
_journal_issue                   11
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4840
_journal_paper_doi               10.1021/cg900659r
_journal_volume                  9
_journal_year                    2009
_chemical_formula_sum            'C20 H21 N3 O6 Zn'
_chemical_formula_weight         464.79
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 119.65(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.869(2)
_cell_length_b                   19.785(4)
_cell_length_c                   11.900(5)
_cell_measurement_reflns_used    4988
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.8605
_cell_measurement_theta_min      2.0586
_cell_volume                     2019.3(11)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Saturn70 (4x4 bin mode)'
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0483
_diffrn_reflns_av_sigmaI/netI    0.0391
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            25130
_diffrn_reflns_theta_full        27.86
_diffrn_reflns_theta_max         27.86
_diffrn_reflns_theta_min         2.06
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    1.259
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.529
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             960
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.840
_refine_diff_density_min         -0.459
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.128
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     315
_refine_ls_number_reflns         4799
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.128
_refine_ls_R_factor_all          0.0653
_refine_ls_R_factor_gt           0.0558
_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)+(0.0439P)²+2.5245P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1119
_refine_ls_wR_factor_ref         0.1176
_reflns_number_gt                4202
_reflns_number_total             4799
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg900659rsup1.cif
_cod_data_source_block           2
_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.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        2019.3(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4509688
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
C1 C 0.1578(4) 0.71298(16) 0.3355(3) 0.0295(7) Uani 1 1 d .
C2 C 0.2495(3) 0.65055(15) 0.3453(3) 0.0258(6) Uani 1 1 d .
C3 C 0.3374(4) 0.62342(15) 0.4648(3) 0.0261(6) Uani 1 1 d .
H3 H 0.3435 0.6459 0.5358 0.031 Uiso 1 1 calc R
C4 C 0.4209(4) 0.56146(15) 0.4852(3) 0.0265(6) Uani 1 1 d .
C5 C 0.4124(4) 0.52799(15) 0.3756(3) 0.0277(6) Uani 1 1 d .
C6 C 0.3210(4) 0.55801(15) 0.2514(3) 0.0282(6) Uani 1 1 d .
H6 H 0.3148 0.5366 0.1794 0.034 Uiso 1 1 calc R
C7 C 0.2424(3) 0.61698(15) 0.2349(3) 0.0262(6) Uani 1 1 d .
C8 C 0.5078(4) 0.53308(16) 0.6078(3) 0.0298(7) Uani 1 1 d .
H8 H 0.5129 0.5548 0.6791 0.036 Uiso 1 1 calc R
C9 C 0.1584(3) 0.64896(15) 0.1036(3) 0.0259(6) Uani 1 1 d .
C10 C 0.0342(4) 0.86197(16) 0.1295(3) 0.0352(8) Uani 1 1 d .
H10 H 0.0634 0.8175 0.1272 0.042 Uiso 1 1 calc R
C11 C 0.0336(4) 0.90733(16) 0.0414(3) 0.0372(8) Uani 1 1 d .
H11 H 0.0579 0.8926 -0.0208 0.045 Uiso 1 1 calc R
C12 C -0.0027(4) 0.97433(15) 0.0445(3) 0.0257(6) Uani 1 1 d .
C13 C -0.0461(5) 0.99137(19) 0.1352(4) 0.0504(11) Uani 1 1 d .
H13 H -0.0749 1.0355 0.1401 0.060 Uiso 1 1 calc R
C14 C -0.0464(5) 0.94266(18) 0.2184(4) 0.0484(10) Uani 1 1 d .
H14 H -0.0770 0.9552 0.2779 0.058 Uiso 1 1 calc R
C15 C -0.2157(4) 0.78324(17) 0.4223(3) 0.0314(7) Uani 1 1 d .
H15 H -0.1318 0.7807 0.5060 0.038 Uiso 1 1 calc R
C16 C -0.3697(5) 0.7386(3) 0.5115(4) 0.0576(12) Uani 1 1 d .
H16A H -0.3857 0.6906 0.5028 0.086 Uiso 1 1 calc R
H16B H -0.4579 0.7599 0.5102 0.086 Uiso 1 1 calc R
H16C H -0.2773 0.7485 0.5919 0.086 Uiso 1 1 calc R
C17 C -0.4903(4) 0.7671(3) 0.2764(3) 0.0550(11) Uani 1 1 d .
H17A H -0.4630 0.7844 0.2148 0.083 Uiso 1 1 calc R
H17B H -0.5663 0.7962 0.2794 0.083 Uiso 1 1 calc R
H17C H -0.5330 0.7225 0.2512 0.083 Uiso 1 1 calc R
C18 C 0.7600(9) 0.9358(3) 0.5471(7) 0.0780(17) Uani 1 1 d .
C19 C 0.6532(8) 0.9057(4) 0.6889(6) 0.0786(17) Uani 1 1 d .
C20 C 0.4735(9) 0.9111(3) 0.4572(6) 0.0535(16) Uani 0.65 1 d P
H20 H 0.3967 0.8937 0.4726 0.064 Uiso 0.65 1 calc PR
C21 C 0.3352(13) 0.9695(7) 0.3774(10) 0.054(3) Uani 0.35 1 d P
H21 H 0.2964 0.9429 0.4195 0.065 Uiso 0.35 1 calc PR
H18A H 0.718(6) 0.923(3) 0.446(5) 0.084(16) Uiso 1 1 d .
H19A H 0.746(6) 0.877(3) 0.742(5) 0.077(16) Uiso 1 1 d .
H18B H 0.843(7) 0.909(3) 0.602(5) 0.087(19) Uiso 1 1 d .
H19B H 0.664(5) 0.941(2) 0.747(4) 0.055(14) Uiso 1 1 d .
H18C H 0.796(6) 0.977(3) 0.560(5) 0.078(18) Uiso 1 1 d .
H19C H 0.563(9) 0.885(4) 0.680(6) 0.12(3) Uiso 1 1 d .
N1 N -0.0050(3) 0.87875(12) 0.2174(2) 0.0250(5) Uani 1 1 d .
N2 N -0.3517(3) 0.76442(16) 0.4036(3) 0.0371(7) Uani 1 1 d .
N3 N 0.6167(6) 0.9122(3) 0.5559(5) 0.0491(12) Uani 0.65 1 d P
N4 N 0.7127(11) 0.9664(6) 0.6337(9) 0.053(3) Uani 0.35 1 d P
O1 O 0.2321(3) 0.76620(11) 0.3895(2) 0.0389(6) Uani 1 1 d .
O2 O 0.0135(3) 0.70931(14) 0.2843(3) 0.0502(7) Uani 1 1 d .
O3 O 0.1340(2) 0.71104(11) 0.0936(2) 0.0295(5) Uani 1 1 d .
O4 O 0.1198(3) 0.61125(11) 0.0057(2) 0.0326(5) Uani 1 1 d .
O5 O -0.1896(2) 0.80453(11) 0.3358(2) 0.0301(5) Uani 1 1 d .
O6 O 0.4293(5) 0.9317(2) 0.3417(3) 0.0882(12) Uani 1 1 d .
Zn1 Zn 0.03000(4) 0.815287(16) 0.36681(3) 0.02201(11) 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
O2 C1 O1 122.3(3) . .
O2 C1 C2 119.4(3) . .
O1 C1 C2 118.1(3) . .
C3 C2 C7 119.4(3) . .
C3 C2 C1 117.1(3) . .
C7 C2 C1 123.5(3) . .
C2 C3 C4 122.2(3) . .
C2 C3 H3 118.9 . .
C4 C3 H3 118.9 . .
C8 C4 C5 119.8(3) . .
C8 C4 C3 121.8(3) . .
C5 C4 C3 118.3(3) . .
C8 C5 C6 121.9(3) 3_666 .
C8 C5 C4 119.8(3) 3_666 .
C6 C5 C4 118.3(3) . .
C7 C6 C5 122.0(3) . .
C7 C6 H6 119.0 . .
C5 C6 H6 119.0 . .
C6 C7 C2 119.8(3) . .
C6 C7 C9 119.6(3) . .
C2 C7 C9 120.5(3) . .
C4 C8 C5 120.4(3) . 3_666
C4 C8 H8 119.8 . .
C5 C8 H8 119.8 3_666 .
O3 C9 O4 122.3(3) . .
O3 C9 C7 119.8(3) . .
O4 C9 C7 117.9(3) . .
O3 C9 Zn1 69.78(16) . 4_575
O4 C9 Zn1 52.53(14) . 4_575
C7 C9 Zn1 169.9(2) . 4_575
N1 C10 C11 123.0(3) . .
N1 C10 H10 118.5 . .
C11 C10 H10 118.5 . .
C10 C11 C12 120.6(3) . .
C10 C11 H11 119.7 . .
C12 C11 H11 119.7 . .
C11 C12 C13 116.1(3) . .
C11 C12 C12 122.5(3) . 3_575
C13 C12 C12 121.5(3) . 3_575
C14 C13 C12 120.0(3) . .
C14 C13 H13 120.0 . .
C12 C13 H13 120.0 . .
N1 C14 C13 123.1(3) . .
N1 C14 H14 118.5 . .
C13 C14 H14 118.5 . .
O5 C15 N2 124.8(3) . .
O5 C15 H15 117.6 . .
N2 C15 H15 117.6 . .
N2 C16 H16A 109.5 . .
N2 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
N2 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
N2 C17 H17A 109.5 . .
N2 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
N2 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
N4 C18 N3 56.8(5) . .
N4 C18 H18A 143(3) . .
N3 C18 H18A 98(3) . .
N4 C18 H18B 102(4) . .
N3 C18 H18B 107(4) . .
H18A C18 H18B 113(4) . .
N4 C18 H18C 74(4) . .
N3 C18 H18C 125(4) . .
H18A C18 H18C 108(5) . .
H18B C18 H18C 106(5) . .
N3 C19 N4 55.4(5) . .
N3 C19 H19A 113(3) . .
N4 C19 H19A 106(3) . .
N3 C19 H19B 128(3) . .
N4 C19 H19B 80(3) . .
H19A C19 H19B 103(4) . .
N3 C19 H19C 102(4) . .
N4 C19 H19C 143(4) . .
H19A C19 H19C 110(5) . .
H19B C19 H19C 100(5) . .
O6 C20 N3 126.5(6) . .
O6 C20 H20 116.7 . .
N3 C20 H20 116.7 . .
N4 C21 O6 136.5(11) 3_676 .
N4 C21 H21 111.8 3_676 .
O6 C21 H21 111.8 . .
C10 N1 C14 117.2(3) . .
C10 N1 Zn1 122.6(2) . .
C14 N1 Zn1 119.5(2) . .
C15 N2 C17 121.8(3) . .
C15 N2 C16 120.6(3) . .
C17 N2 C16 117.6(3) . .
C20 N3 C19 123.4(5) . .
C20 N3 C18 124.1(5) . .
C19 N3 C18 111.2(5) . .
C21 N4 C18 123.1(9) 3_676 .
C21 N4 C19 124.4(9) 3_676 .
C18 N4 C19 106.7(8) . .
C21 N4 H18C 95(2) 3_676 .
C18 N4 H18C 34(2) . .
C19 N4 H18C 140(2) . .
C1 O1 Zn1 92.5(2) . .
C1 O2 Zn1 85.1(2) . .
C9 O3 Zn1 81.35(17) . 4_575
C9 O4 Zn1 97.86(18) . 4_575
C15 O5 Zn1 121.6(2) . .
C20 O6 C21 76.8(6) . .
O5 Zn1 O4 102.67(9) . 4_576
O5 Zn1 N1 101.51(9) . .
O4 Zn1 N1 94.86(10) 4_576 .
O5 Zn1 O1 146.52(10) . .
O4 Zn1 O1 102.66(9) 4_576 .
N1 Zn1 O1 97.77(10) . .
O5 Zn1 O2 89.03(9) . .
O4 Zn1 O2 155.41(10) 4_576 .
N1 Zn1 O2 104.01(10) . .
O1 Zn1 O2 59.69(9) . .
O5 Zn1 O3 90.32(8) . 4_576
O4 Zn1 O3 58.48(8) 4_576 4_576
N1 Zn1 O3 152.85(9) . 4_576
O1 Zn1 O3 84.59(8) . 4_576
O2 Zn1 O3 100.50(9) . 4_576
O5 Zn1 C9 97.62(9) . 4_576
O4 Zn1 C9 29.61(9) 4_576 4_576
N1 Zn1 C9 124.29(10) . 4_576
O1 Zn1 C9 93.69(9) . 4_576
O2 Zn1 C9 128.26(10) . 4_576
O3 Zn1 C9 28.86(8) 4_576 4_576
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.243(4) .
C1 O1 1.262(4) .
C1 C2 1.502(4) .
C2 C3 1.358(4) .
C2 C7 1.442(4) .
C3 C4 1.429(4) .
C3 H3 0.9300 .
C4 C8 1.394(4) .
C4 C5 1.428(4) .
C5 C8 1.402(4) 3_666
C5 C6 1.425(4) .
C6 C7 1.360(4) .
C6 H6 0.9300 .
C7 C9 1.500(4) .
C8 C5 1.402(4) 3_666
C8 H8 0.9300 .
C9 O3 1.246(4) .
C9 O4 1.273(4) .
C10 N1 1.324(4) .
C10 C11 1.378(4) .
C10 H10 0.9300 .
C11 C12 1.378(4) .
C11 H11 0.9300 .
C12 C13 1.385(4) .
C12 C12 1.487(6) 3_575
C13 C14 1.383(5) .
C13 H13 0.9300 .
C14 N1 1.331(4) .
C14 H14 0.9300 .
C15 O5 1.251(4) .
C15 N2 1.302(4) .
C15 H15 0.9300 .
C16 N2 1.472(4) .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 N2 1.454(4) .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 N4 1.458(12) .
C18 N3 1.541(8) .
C18 H18A 1.09(5) .
C18 H18B 0.92(6) .
C18 H18C 0.86(6) .
C19 N3 1.445(7) .
C19 N4 1.612(12) .
C19 H19A 1.00(5) .
C19 H19B 0.95(4) .
C19 H19C 0.94(7) .
C20 O6 1.286(7) .
C20 N3 1.317(8) .
C20 H20 0.9300 .
C21 N4 1.337(16) 3_676
C21 O6 1.411(13) .
C21 H21 0.9300 .
N1 Zn1 2.062(2) .
N4 C21 1.337(16) 3_676
O1 Zn1 2.112(2) .
O2 Zn1 2.287(3) .
O3 Zn1 2.422(2) 4_575
O4 Zn1 2.044(2) 4_575
O5 Zn1 2.022(2) .
Zn1 O4 2.044(2) 4_576
Zn1 O3 2.422(2) 4_576
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
O2 C1 C2 C3 -108.8(4) . .
O1 C1 C2 C3 65.4(4) . .
O2 C1 C2 C7 68.0(4) . .
O1 C1 C2 C7 -117.8(3) . .
C7 C2 C3 C4 -1.5(5) . .
C1 C2 C3 C4 175.4(3) . .
C2 C3 C4 C8 -178.4(3) . .
C2 C3 C4 C5 0.9(5) . .
C8 C4 C5 C8 -0.3(5) . 3_666
C3 C4 C5 C8 -179.6(3) . 3_666
C8 C4 C5 C6 179.3(3) . .
C3 C4 C5 C6 -0.1(5) . .
C8 C5 C6 C7 179.4(3) 3_666 .
C4 C5 C6 C7 -0.1(5) . .
C5 C6 C7 C2 -0.5(5) . .
C5 C6 C7 C9 175.2(3) . .
C3 C2 C7 C6 1.3(5) . .
C1 C2 C7 C6 -175.4(3) . .
C3 C2 C7 C9 -174.3(3) . .
C1 C2 C7 C9 8.9(5) . .
C5 C4 C8 C5 0.3(5) . 3_666
C3 C4 C8 C5 179.6(3) . 3_666
C6 C7 C9 O3 -154.9(3) . .
C2 C7 C9 O3 20.7(4) . .
C6 C7 C9 O4 22.4(4) . .
C2 C7 C9 O4 -161.9(3) . .
C6 C7 C9 Zn1 4.5(14) . 4_575
C2 C7 C9 Zn1 -179.9(10) . 4_575
N1 C10 C11 C12 2.7(6) . .
C10 C11 C12 C13 -3.5(5) . .
C10 C11 C12 C12 176.9(4) . 3_575
C11 C12 C13 C14 1.9(6) . .
C12 C12 C13 C14 -178.5(4) 3_575 .
C12 C13 C14 N1 0.7(7) . .
C11 C10 N1 C14 0.0(5) . .
C11 C10 N1 Zn1 -169.8(3) . .
C13 C14 N1 C10 -1.7(6) . .
C13 C14 N1 Zn1 168.5(3) . .
O5 C15 N2 C17 -0.6(6) . .
O5 C15 N2 C16 178.6(4) . .
O6 C20 N3 C19 162.7(7) . .
O6 C20 N3 C18 -3.2(11) . .
N4 C19 N3 C20 -126.5(8) . .
N4 C19 N3 C18 41.0(6) . .
N4 C18 N3 C20 121.9(8) . .
N4 C18 N3 C19 -45.5(7) . .
N3 C18 N4 C21 -115.5(11) . 3_676
N3 C18 N4 C19 38.5(5) . .
N3 C19 N4 C21 111.1(11) . 3_676
N3 C19 N4 C18 -42.4(6) . .
O2 C1 O1 Zn1 6.1(3) . .
C2 C1 O1 Zn1 -168.0(2) . .
O1 C1 O2 Zn1 -5.6(3) . .
C2 C1 O2 Zn1 168.4(2) . .
O4 C9 O3 Zn1 -1.0(3) . 4_575
C7 C9 O3 Zn1 176.2(3) . 4_575
O3 C9 O4 Zn1 1.2(3) . 4_575
C7 C9 O4 Zn1 -176.1(2) . 4_575
N2 C15 O5 Zn1 -167.9(3) . .
N3 C20 O6 C21 -123.7(9) . .
N4 C21 O6 C20 136.8(14) 3_676 .
C15 O5 Zn1 O4 -64.6(3) . 4_576
C15 O5 Zn1 N1 -162.3(2) . .
C15 O5 Zn1 O1 73.8(3) . .
C15 O5 Zn1 O2 93.6(3) . .
C15 O5 Zn1 O3 -6.9(2) . 4_576
C15 O5 Zn1 C9 -34.9(3) . 4_576
C10 N1 Zn1 O5 -121.2(3) . .
C14 N1 Zn1 O5 69.2(3) . .
C10 N1 Zn1 O4 134.8(3) . 4_576
C14 N1 Zn1 O4 -34.8(3) . 4_576
C10 N1 Zn1 O1 31.3(3) . .
C14 N1 Zn1 O1 -138.3(3) . .
C10 N1 Zn1 O2 -29.3(3) . .
C14 N1 Zn1 O2 161.1(3) . .
C10 N1 Zn1 O3 124.6(3) . 4_576
C14 N1 Zn1 O3 -45.0(4) . 4_576
C10 N1 Zn1 C9 131.2(3) . 4_576
C14 N1 Zn1 C9 -38.4(3) . 4_576
C1 O1 Zn1 O5 19.9(3) . .
C1 O1 Zn1 O4 158.25(17) . 4_576
C1 O1 Zn1 N1 -104.96(19) . .
C1 O1 Zn1 O2 -3.24(17) . .
C1 O1 Zn1 O3 102.27(18) . 4_576
C1 O1 Zn1 C9 129.70(18) . 4_576
C1 O2 Zn1 O5 -164.19(19) . .
C1 O2 Zn1 O4 -44.8(3) . 4_576
C1 O2 Zn1 N1 94.19(19) . .
C1 O2 Zn1 O1 3.30(17) . .
C1 O2 Zn1 O3 -74.03(19) . 4_576
C1 O2 Zn1 C9 -65.2(2) . 4_576
