#------------------------------------------------------------------------------
#$Date: 2016-03-26 12:42:33 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180214 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/00/7110064.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_7110064
loop_
_publ_author_name
'Andrew D. Burrows'
'Monika Jurcic'
'Luke L. Keenan'
'Rebecca A. Lane'
'Mary F. Mahon'
'Mark R. Warren'
'Harriott Nowell'
'Michael Paradowski'
'John Spencer'
_publ_section_title
;
 Incorporation by coordination and release of the iron chelator drug
 deferiprone from zinc-based metal-organic frameworks
;
_journal_name_full               Chem.Commun.
_journal_page_first              11260
_journal_paper_doi               10.1039/c3cc45689g
_journal_volume                  49
_journal_year                    2013
_chemical_formula_sum            'C30 H28 N2 O14 Zn3'
_chemical_formula_weight         836.65
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                107.182(2)
_cell_angle_beta                 90.439(4)
_cell_angle_gamma                113.787(3)
_cell_formula_units_Z            1
_cell_length_a                   8.127(3)
_cell_length_b                   9.909(3)
_cell_length_c                   11.353(4)
_cell_measurement_reflns_used    2291
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      31.5
_cell_measurement_theta_min      2.7
_cell_volume                     790.8(5)
_computing_cell_refinement
;
CrystalClear-SM Expert 2.0 r5 (Rigaku, 2010)
;
_computing_data_collection
;
CrystalClear-SM Expert 2.0 r5 (Rigaku, 2010)
;
_computing_data_reduction
;
CrystalClear-SM Expert 2.0 r5 (Rigaku, 2010)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.896
_diffrn_measured_fraction_theta_max 0.896
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_radiation_monochromator  Synchrotron
_diffrn_radiation_type           Synchrotron'
_diffrn_radiation_wavelength     0.68890
_diffrn_reflns_av_R_equivalents  0.0386
_diffrn_reflns_av_sigmaI/netI    0.0541
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7266
_diffrn_reflns_theta_full        26.60
_diffrn_reflns_theta_max         26.60
_diffrn_reflns_theta_min         2.68
_diffrn_source                   Synchrotron
_exptl_absorpt_coefficient_mu    2.331
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.860
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements
 Sortav (Blessing 1995)
;
_exptl_crystal_density_diffrn    1.757
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             424
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.477
_refine_diff_density_min         -0.816
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     232
_refine_ls_number_reflns         3262
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0348
_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)+(0.0676P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0986
_refine_ls_wR_factor_ref         0.1010
_reflns_number_gt                2729
_reflns_number_total             3262
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc45689g.txt
_cod_data_source_block           cmpd2_dlk22
_cod_original_cell_volume        790.9(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7110064
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -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
Zn1 Zn 0.5000 0.5000 0.0000 0.01396(14) Uani 1 2 d SD
Zn2 Zn 0.13790(4) 0.59115(3) 0.12528(2) 0.01018(12) Uani 1 1 d .
O1 O 0.4913(3) 0.5044(2) 0.18007(18) 0.0213(4) Uani 1 1 d .
O2 O 0.2531(3) 0.5429(2) 0.25465(17) 0.0199(4) Uani 1 1 d .
O3 O 0.2363(3) 0.8445(2) 0.25723(18) 0.0205(4) Uani 1 1 d .
O4 O -0.0326(3) 0.6557(2) 0.24476(16) 0.0158(4) Uani 1 1 d .
O5 O 0.3532(2) 0.6389(2) 0.02657(16) 0.0130(4) Uani 1 1 d .
O6 O 0.0353(2) 0.6421(2) -0.02613(16) 0.0112(4) Uani 1 1 d .
O7 O 0.2431(3) 0.3019(2) -0.07366(18) 0.0201(4) Uani 1 1 d D
N1 N 0.3229(3) 0.8960(2) -0.1877(2) 0.0146(5) Uani 1 1 d .
C1 C 0.3948(4) 0.5209(3) 0.2635(2) 0.0145(5) Uani 1 1 d .
C2 C 0.4490(4) 0.5087(3) 0.3861(2) 0.0170(5) Uani 1 1 d .
C3 C 0.5866(4) 0.4620(3) 0.3979(3) 0.0197(6) Uani 1 1 d .
H3 H 0.6449 0.4355 0.3282 0.024 Uiso 1 1 calc R
C4 C 0.3610(4) 0.5459(3) 0.4880(3) 0.0198(6) Uani 1 1 d .
H4 H 0.2659 0.5765 0.4794 0.024 Uiso 1 1 calc R
C5 C 0.0864(4) 0.7958(3) 0.2950(2) 0.0140(5) Uani 1 1 d .
C6 C 0.0423(4) 0.9022(3) 0.4010(2) 0.0141(5) Uani 1 1 d .
C7 C 0.1674(4) 1.0554(3) 0.4592(3) 0.0193(6) Uani 1 1 d .
H7 H 0.2823 1.0939 0.4317 0.023 Uiso 1 1 calc R
C8 C -0.1252(4) 0.8472(3) 0.4421(3) 0.0206(6) Uani 1 1 d .
H8 H -0.2115 0.7425 0.4027 0.025 Uiso 1 1 calc R
C9 C 0.1785(3) 0.7251(3) -0.0725(2) 0.0105(5) Uani 1 1 d .
C10 C 0.3476(4) 0.7215(3) -0.0427(2) 0.0117(5) Uani 1 1 d .
C11 C 0.4999(4) 0.8102(3) -0.0877(2) 0.0150(5) Uani 1 1 d .
H11 H 0.6149 0.8124 -0.0679 0.018 Uiso 1 1 calc R
C12 C 0.4831(4) 0.8937(3) -0.1602(2) 0.0163(5) Uani 1 1 d .
H12 H 0.5868 0.9513 -0.1919 0.020 Uiso 1 1 calc R
C13 C 0.1685(4) 0.8153(3) -0.1429(2) 0.0139(5) Uani 1 1 d .
C14 C -0.0019(4) 0.8310(3) -0.1720(3) 0.0224(6) Uani 1 1 d .
H14A H 0.0234 0.9418 -0.1469 0.034 Uiso 1 1 calc R
H14B H -0.0955 0.7788 -0.1265 0.034 Uiso 1 1 calc R
H14C H -0.0449 0.7827 -0.2618 0.034 Uiso 1 1 calc R
C15 C 0.3147(4) 0.9895(3) -0.2662(3) 0.0242(6) Uani 1 1 d .
H15A H 0.4339 1.0364 -0.2919 0.036 Uiso 1 1 calc R
H15B H 0.2810 1.0722 -0.2185 0.036 Uiso 1 1 calc R
H15C H 0.2237 0.9219 -0.3403 0.036 Uiso 1 1 calc R
H7A H 0.1397(14) 0.294(2) -0.0275(15) 0.029 Uiso 1 1 d D
H7B H 0.190(2) 0.281(2) -0.1593(10) 0.029 Uiso 1 1 d 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'
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'
N N 0.0061 0.0033 '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
O1 Zn1 O1 180.0 . 2_665
O1 Zn1 O5 89.94(7) . .
O1 Zn1 O5 90.06(7) 2_665 .
O1 Zn1 O5 90.06(7) . 2_665
O1 Zn1 O5 89.94(7) 2_665 2_665
O5 Zn1 O5 180.0 . 2_665
O1 Zn1 O7 95.76(8) . .
O1 Zn1 O7 84.24(8) 2_665 .
O5 Zn1 O7 86.69(8) . .
O5 Zn1 O7 93.31(8) 2_665 .
O1 Zn1 O7 84.24(8) . 2_665
O1 Zn1 O7 95.76(8) 2_665 2_665
O5 Zn1 O7 93.31(8) . 2_665
O5 Zn1 O7 86.69(8) 2_665 2_665
O7 Zn1 O7 180.0 . 2_665
O2 Zn2 O5 96.29(8) . .
O2 Zn2 O4 92.70(8) . .
O5 Zn2 O4 152.97(7) . .
O2 Zn2 O6 95.42(8) . 2_565
O5 Zn2 O6 103.41(7) . 2_565
O4 Zn2 O6 101.03(7) . 2_565
O2 Zn2 O6 174.10(7) . .
O5 Zn2 O6 77.97(7) . .
O4 Zn2 O6 93.06(7) . .
O6 Zn2 O6 84.72(7) 2_565 .
O2 Zn2 O3 89.28(8) . .
O5 Zn2 O3 94.94(7) . .
O4 Zn2 O3 59.66(7) . .
O6 Zn2 O3 160.39(7) 2_565 .
O6 Zn2 O3 92.53(7) . .
O2 Zn2 C5 89.92(8) . .
O5 Zn2 C5 124.12(8) . .
O4 Zn2 C5 30.25(8) . .
O6 Zn2 C5 131.26(8) 2_565 .
O6 Zn2 C5 94.41(7) . .
O3 Zn2 C5 29.46(8) . .
O2 Zn2 Zn2 138.41(6) . 2_565
O5 Zn2 Zn2 90.60(6) . 2_565
O4 Zn2 Zn2 99.43(6) . 2_565
O6 Zn2 Zn2 43.31(5) 2_565 2_565
O6 Zn2 Zn2 41.41(5) . 2_565
O3 Zn2 Zn2 131.01(5) . 2_565
C5 Zn2 Zn2 119.42(6) . 2_565
C1 O1 Zn1 139.00(17) . .
C1 O2 Zn2 133.06(17) . .
C5 O3 Zn2 85.08(15) . .
C5 O4 Zn2 93.86(15) . .
C10 O5 Zn2 112.16(15) . .
C10 O5 Zn1 125.45(15) . .
Zn2 O5 Zn1 119.12(8) . .
C9 O6 Zn2 121.62(14) . 2_565
C9 O6 Zn2 107.89(14) . .
Zn2 O6 Zn2 95.28(7) 2_565 .
Zn1 O7 H7A 119.1(9) . .
Zn1 O7 H7B 117.2(8) . .
H7A O7 H7B 102.6(10) . .
C12 N1 C13 121.5(2) . .
C12 N1 C15 118.6(2) . .
C13 N1 C15 119.9(2) . .
O1 C1 O2 126.5(2) . .
O1 C1 C2 117.0(2) . .
O2 C1 C2 116.4(2) . .
C3 C2 C4 120.3(2) . .
C3 C2 C1 120.1(3) . .
C4 C2 C1 119.6(2) . .
C2 C3 C4 120.0(3) . 2_666
C2 C3 H3 120.0 . .
C4 C3 H3 120.0 2_666 .
C3 C4 C2 119.7(3) 2_666 .
C3 C4 H4 120.2 2_666 .
C2 C4 H4 120.2 . .
O3 C5 O4 121.2(2) . .
O3 C5 C6 120.2(2) . .
O4 C5 C6 118.5(2) . .
O3 C5 Zn2 65.46(13) . .
O4 C5 Zn2 55.89(13) . .
C6 C5 Zn2 173.37(19) . .
C8 C6 C7 119.4(2) . .
C8 C6 C5 119.9(2) . .
C7 C6 C5 120.8(2) . .
C6 C7 C8 120.2(3) . 2_576
C6 C7 H7 119.9 . .
C8 C7 H7 119.9 2_576 .
C6 C8 C7 120.4(2) . 2_576
C6 C8 H8 119.8 . .
C7 C8 H8 119.8 2_576 .
O6 C9 C13 122.8(2) . .
O6 C9 C10 116.8(2) . .
C13 C9 C10 120.3(2) . .
O5 C10 C11 123.5(2) . .
O5 C10 C9 118.7(2) . .
C11 C10 C9 117.8(2) . .
C12 C11 C10 120.1(2) . .
C12 C11 H11 120.0 . .
C10 C11 H11 120.0 . .
N1 C12 C11 121.5(3) . .
N1 C12 H12 119.3 . .
C11 C12 H12 119.3 . .
N1 C13 C9 118.8(2) . .
N1 C13 C14 118.1(2) . .
C9 C13 C14 123.1(2) . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
N1 C15 H15A 109.5 . .
N1 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
N1 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1 2.034(2) .
Zn1 O1 2.034(2) 2_665
Zn1 O5 2.1198(17) .
Zn1 O5 2.1198(17) 2_665
Zn1 O7 2.147(2) .
Zn1 O7 2.147(2) 2_665
Zn2 O2 2.0040(18) .
Zn2 O5 2.0537(19) .
Zn2 O4 2.0975(19) .
Zn2 O6 2.0985(18) 2_565
Zn2 O6 2.1760(18) .
Zn2 O3 2.308(2) .
Zn2 C5 2.528(3) .
Zn2 Zn2 3.1590(9) 2_565
O1 C1 1.250(3) .
O2 C1 1.265(3) .
O3 C5 1.248(3) .
O4 C5 1.276(3) .
O5 C10 1.304(3) .
O6 C9 1.342(3) .
O6 Zn2 2.0985(18) 2_565
O7 H7A 0.982(5) .
O7 H7B 0.987(5) .
N1 C12 1.348(3) .
N1 C13 1.384(3) .
N1 C15 1.482(3) .
C1 C2 1.510(3) .
C2 C3 1.391(4) .
C2 C4 1.399(4) .
C3 C4 1.395(4) 2_666
C3 H3 0.9500 .
C4 C3 1.395(4) 2_666
C4 H4 0.9500 .
C5 C6 1.500(3) .
C6 C8 1.389(4) .
C6 C7 1.388(4) .
C7 C8 1.392(4) 2_576
C7 H7 0.9500 .
C8 C7 1.392(4) 2_576
C8 H8 0.9500 .
C9 C13 1.387(3) .
C9 C10 1.430(3) .
C10 C11 1.402(4) .
C11 C12 1.368(4) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C14 1.499(4) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
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
O1 Zn1 O1 C1 122(13) 2_665 .
O5 Zn1 O1 C1 25.5(3) . .
O5 Zn1 O1 C1 -154.5(3) 2_665 .
O7 Zn1 O1 C1 -61.2(3) . .
O7 Zn1 O1 C1 118.8(3) 2_665 .
O5 Zn2 O2 C1 -11.2(3) . .
O4 Zn2 O2 C1 -165.6(2) . .
O6 Zn2 O2 C1 93.0(2) 2_565 .
O6 Zn2 O2 C1 1.9(9) . .
O3 Zn2 O2 C1 -106.1(2) . .
C5 Zn2 O2 C1 -135.5(2) . .
Zn2 Zn2 O2 C1 86.9(3) 2_565 .
O2 Zn2 O3 C5 -91.12(15) . .
O5 Zn2 O3 C5 172.63(15) . .
O4 Zn2 O3 C5 2.43(14) . .
O6 Zn2 O3 C5 13.1(3) 2_565 .
O6 Zn2 O3 C5 94.49(15) . .
Zn2 Zn2 O3 C5 77.51(16) 2_565 .
O2 Zn2 O4 C5 85.21(15) . .
O5 Zn2 O4 C5 -24.3(2) . .
O6 Zn2 O4 C5 -178.73(14) 2_565 .
O6 Zn2 O4 C5 -93.52(15) . .
O3 Zn2 O4 C5 -2.37(13) . .
Zn2 Zn2 O4 C5 -134.72(14) 2_565 .
O2 Zn2 O5 C10 -159.90(16) . .
O4 Zn2 O5 C10 -51.2(2) . .
O6 Zn2 O5 C10 102.98(17) 2_565 .
O6 Zn2 O5 C10 21.47(16) . .
O3 Zn2 O5 C10 -70.08(17) . .
C5 Zn2 O5 C10 -65.71(18) . .
Zn2 Zn2 O5 C10 61.20(16) 2_565 .
O2 Zn2 O5 Zn1 39.40(11) . .
O4 Zn2 O5 Zn1 148.08(12) . .
O6 Zn2 O5 Zn1 -57.73(11) 2_565 .
O6 Zn2 O5 Zn1 -139.24(10) . .
O3 Zn2 O5 Zn1 129.21(10) . .
C5 Zn2 O5 Zn1 133.59(10) . .
Zn2 Zn2 O5 Zn1 -99.51(9) 2_565 .
O1 Zn1 O5 C10 160.0(2) . .
O1 Zn1 O5 C10 -20.0(2) 2_665 .
O5 Zn1 O5 C10 165(12) 2_665 .
O7 Zn1 O5 C10 -104.3(2) . .
O7 Zn1 O5 C10 75.7(2) 2_665 .
O1 Zn1 O5 Zn2 -42.09(11) . .
O1 Zn1 O5 Zn2 137.91(11) 2_665 .
O5 Zn1 O5 Zn2 -37(12) 2_665 .
O7 Zn1 O5 Zn2 53.68(10) . .
O7 Zn1 O5 Zn2 -126.32(10) 2_665 .
O2 Zn2 O6 C9 -34.0(8) . .
O5 Zn2 O6 C9 -20.73(14) . .
O4 Zn2 O6 C9 133.53(14) . .
O6 Zn2 O6 C9 -125.67(16) 2_565 .
O3 Zn2 O6 C9 73.79(14) . .
C5 Zn2 O6 C9 103.24(15) . .
Zn2 Zn2 O6 C9 -125.67(16) 2_565 .
O2 Zn2 O6 Zn2 91.6(7) . 2_565
O5 Zn2 O6 Zn2 104.95(8) . 2_565
O4 Zn2 O6 Zn2 -100.80(7) . 2_565
O6 Zn2 O6 Zn2 0.0 2_565 2_565
O3 Zn2 O6 Zn2 -160.54(7) . 2_565
C5 Zn2 O6 Zn2 -131.09(8) . 2_565
Zn1 O1 C1 O2 0.0(5) . .
Zn1 O1 C1 C2 178.04(19) . .
Zn2 O2 C1 O1 -10.0(4) . .
Zn2 O2 C1 C2 171.89(18) . .
O1 C1 C2 C3 -7.7(4) . .
O2 C1 C2 C3 170.6(3) . .
O1 C1 C2 C4 171.8(3) . .
O2 C1 C2 C4 -10.0(4) . .
C4 C2 C3 C4 -0.8(5) . 2_666
C1 C2 C3 C4 178.6(2) . 2_666
C3 C2 C4 C3 0.8(5) . 2_666
C1 C2 C4 C3 -178.6(2) . 2_666
Zn2 O3 C5 O4 -4.0(2) . .
Zn2 O3 C5 C6 176.2(2) . .
Zn2 O4 C5 O3 4.4(3) . .
Zn2 O4 C5 C6 -175.79(19) . .
O2 Zn2 C5 O3 88.67(15) . .
O5 Zn2 C5 O3 -8.88(18) . .
O4 Zn2 C5 O3 -175.8(2) . .
O6 Zn2 C5 O3 -174.18(13) 2_565 .
O6 Zn2 C5 O3 -87.34(15) . .
Zn2 Zn2 C5 O3 -122.25(14) 2_565 .
O2 Zn2 C5 O4 -95.50(15) . .
O5 Zn2 C5 O4 166.95(13) . .
O6 Zn2 C5 O4 1.66(18) 2_565 .
O6 Zn2 C5 O4 88.50(15) . .
O3 Zn2 C5 O4 175.8(2) . .
Zn2 Zn2 C5 O4 53.58(15) 2_565 .
O2 Zn2 C5 C6 -61.5(16) . .
O5 Zn2 C5 C6 -159.1(16) . .
O4 Zn2 C5 C6 34.0(15) . .
O6 Zn2 C5 C6 35.7(16) 2_565 .
O6 Zn2 C5 C6 122.5(16) . .
O3 Zn2 C5 C6 -150.2(17) . .
Zn2 Zn2 C5 C6 87.6(16) 2_565 .
O3 C5 C6 C8 179.7(2) . .
O4 C5 C6 C8 -0.1(4) . .
Zn2 C5 C6 C8 -31.9(17) . .
O3 C5 C6 C7 -0.6(4) . .
O4 C5 C6 C7 179.7(2) . .
Zn2 C5 C6 C7 147.9(15) . .
C8 C6 C7 C8 0.0(5) . 2_576
C5 C6 C7 C8 -179.7(3) . 2_576
C7 C6 C8 C7 0.0(5) . 2_576
C5 C6 C8 C7 179.7(3) . 2_576
Zn2 O6 C9 C13 91.4(2) 2_565 .
Zn2 O6 C9 C13 -160.42(19) . .
Zn2 O6 C9 C10 -90.6(2) 2_565 .
Zn2 O6 C9 C10 17.6(2) . .
Zn2 O5 C10 C11 159.26(19) . .
Zn1 O5 C10 C11 -41.5(3) . .
Zn2 O5 C10 C9 -19.3(3) . .
Zn1 O5 C10 C9 139.95(18) . .
O6 C9 C10 O5 0.1(3) . .
C13 C9 C10 O5 178.1(2) . .
O6 C9 C10 C11 -178.6(2) . .
C13 C9 C10 C11 -0.5(3) . .
O5 C10 C11 C12 179.9(2) . .
C9 C10 C11 C12 -1.6(4) . .
C13 N1 C12 C11 0.6(4) . .
C15 N1 C12 C11 179.7(2) . .
C10 C11 C12 N1 1.6(4) . .
C12 N1 C13 C9 -2.7(4) . .
C15 N1 C13 C9 178.2(2) . .
C12 N1 C13 C14 176.7(2) . .
C15 N1 C13 C14 -2.3(3) . .
O6 C9 C13 N1 -179.5(2) . .
C10 C9 C13 N1 2.6(3) . .
O6 C9 C13 C14 1.1(4) . .
C10 C9 C13 C14 -176.8(2) . .
