#------------------------------------------------------------------------------
#$Date: 2016-03-26 12:42:33 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180214 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/00/7110065.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_7110065
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            'C36 H42 N4 O20 Zn3'
_chemical_formula_weight         1046.85
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           179
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 65 2 (0 0 1)'
_symmetry_space_group_name_H-M   'P 65 2 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                120.00
_cell_formula_units_Z            6
_cell_length_a                   11.2503(1)
_cell_length_b                   11.2503(1)
_cell_length_c                   59.7860(11)
_cell_measurement_reflns_used    14877
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.6
_cell_measurement_theta_min      1.3
_cell_volume                     6553.27(15)
_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_molecular_graphics    'ORTEX (P.McArdle, 1995)'
_computing_publication_material  'SHELXL-97/2 (Sheldrick,1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  '95mm CCD camera on κ-goniostat'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_radiation_monochromator  Synchrotron
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.6889
_diffrn_reflns_av_R_equivalents  0.0838
_diffrn_reflns_av_sigmaI/netI    0.0947
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       77
_diffrn_reflns_limit_l_min       -77
_diffrn_reflns_number            57062
_diffrn_reflns_theta_full        26.57
_diffrn_reflns_theta_max         26.57
_diffrn_reflns_theta_min         2.03
_diffrn_source                   Synchrotron
_exptl_absorpt_coefficient_mu    1.717
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.727
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Crystalclear - Rigaku software
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.592
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3216
_exptl_crystal_size_max          0.007
_exptl_crystal_size_mid          0.004
_exptl_crystal_size_min          0.004
_refine_diff_density_max         0.308
_refine_diff_density_min         -0.269
_refine_diff_density_rms         0.064
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.055(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     310
_refine_ls_number_reflns         5022
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0381
_refine_ls_R_factor_gt           0.0345
_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)+(0.0255P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0741
_refine_ls_wR_factor_ref         0.0758
_reflns_number_gt                7941
_reflns_number_total             9997
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc45689g.txt
_cod_data_source_block           cmpd5_db638
_cod_original_sg_symbol_H-M      P6522
_cod_database_code               7110065
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x-y, x, z+5/6'
'-y, x-y, z+2/3'
'-x, -y, z+1/2'
'-x+y, -x, z+1/3'
'y, -x+y, z+1/6'
'x-y, -y, -z'
'-x, -x+y, -z+1/3'
'y, x, -z+2/3'
'-y, -x, -z+1/6'
'-x+y, y, -z+1/2'
'x, x-y, -z+5/6'
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 -0.10095(4) -0.57304(4) 0.204404(5) 0.02071(9) Uani 1 1 d .
Zn2 Zn -0.28235(2) -0.56471(5) 0.2500 0.01852(11) Uani 1 2 d S
O1 O -0.1428(2) -0.7423(2) 0.22147(3) 0.0262(5) Uani 1 1 d .
O2 O -0.2363(3) -0.7204(2) 0.25320(3) 0.0340(6) Uani 1 1 d .
O3 O -0.4164(2) -1.3884(2) 0.28233(3) 0.0310(5) Uani 1 1 d .
O4 O -0.3477(3) -0.9196(3) 0.28164(4) 0.0487(8) Uani 1 1 d .
H4 H -0.3242 -0.8413 0.2766 0.058 Uiso 1 1 calc R
O5 O -0.2076(3) -1.2079(3) 0.22261(4) 0.0414(7) Uani 1 1 d .
H5 H -0.2138 -1.2781 0.2287 0.050 Uiso 1 1 calc R
O6 O -0.3352(3) -1.4125(2) 0.24944(3) 0.0327(6) Uani 1 1 d .
O7 O -0.2679(2) -0.5575(2) 0.21564(3) 0.0230(5) Uani 1 1 d .
O8 O -0.2076(2) -0.6134(2) 0.17576(3) 0.0296(5) Uani 1 1 d .
O9 O 0.0609(2) -0.5802(3) 0.18991(4) 0.0315(5) Uani 1 1 d D
O10 O 0.1805(6) -0.6969(7) 0.21200(8) 0.0561(18) Uani 0.50 1 d P
O11 O -0.8825(6) -0.8077(6) 0.32121(8) 0.0569(17) Uani 0.50 1 d P
N1 N -0.5279(3) -0.6251(3) 0.16368(4) 0.0405(8) Uani 1 1 d .
N2 N 0.1588(3) -0.6824(5) 0.2500 0.0511(13) Uani 1 2 d S
N3 N -1.0217(6) -1.0217(6) 0.3333 0.092(2) Uani 1 2 d S
C1 C -0.2021(3) -0.7862(3) 0.24000(4) 0.0238(7) Uani 1 1 d .
C2 C -0.2384(3) -0.9272(3) 0.24681(4) 0.0211(6) Uani 1 1 d .
C3 C -0.3110(4) -0.9879(3) 0.26689(5) 0.0287(8) Uani 1 1 d .
C4 C -0.3446(4) -1.1204(3) 0.27196(5) 0.0279(8) Uani 1 1 d .
H4A H -0.3906 -1.1596 0.2856 0.034 Uiso 1 1 calc R
C5 C -0.3136(3) -1.1982(3) 0.25774(4) 0.0239(7) Uani 1 1 d .
C6 C -0.2411(4) -1.1383(3) 0.23778(4) 0.0262(7) Uani 1 1 d .
C7 C -0.2034(3) -1.0043(3) 0.23295(5) 0.0227(7) Uani 1 1 d .
H7 H -0.1520 -0.9633 0.2198 0.027 Uiso 1 1 calc R
C8 C -0.3576(3) -1.3433(3) 0.26383(5) 0.0258(7) Uani 1 1 d .
C9 C -0.3541(3) -0.5754(3) 0.19942(4) 0.0251(7) Uani 1 1 d .
C10 C -0.3208(3) -0.6079(3) 0.17779(4) 0.0257(7) Uani 1 1 d .
C11 C -0.4119(4) -0.6327(4) 0.16024(5) 0.0318(8) Uani 1 1 d .
C12 C -0.5567(4) -0.5921(4) 0.18378(5) 0.0413(9) Uani 1 1 d .
H12 H -0.6372 -0.5856 0.1855 0.050 Uiso 1 1 calc R
C13 C -0.4716(3) -0.5676(4) 0.20186(5) 0.0327(7) Uani 1 1 d .
H13 H -0.4940 -0.5453 0.2160 0.039 Uiso 1 1 calc R
C14 C -0.3897(4) -0.6762(4) 0.13741(5) 0.0459(10) Uani 1 1 d .
H14A H -0.4461 -0.7761 0.1360 0.069 Uiso 1 1 calc R
H14B H -0.2927 -0.6486 0.1356 0.069 Uiso 1 1 calc R
H14C H -0.4159 -0.6320 0.1258 0.069 Uiso 1 1 calc R
C15 C -0.6254(4) -0.6523(5) 0.14519(6) 0.0604(14) Uani 1 1 d .
H15A H -0.7023 -0.6425 0.1506 0.091 Uiso 1 1 calc R
H15B H -0.6602 -0.7458 0.1396 0.091 Uiso 1 1 calc R
H15C H -0.5786 -0.5866 0.1331 0.091 Uiso 1 1 calc R
C16 C 0.1474(5) -0.7518(5) 0.23021(6) 0.0515(11) Uani 1 1 d .
H16 H 0.1116 -0.8482 0.2310 0.062 Uiso 1 1 calc R
C17 C 0.2334(4) -0.5332(8) 0.2500 0.099(3) Uani 1 2 d S
H17A H 0.3115 -0.4997 0.2397 0.149 Uiso 0.25 1 calc PR
H17B H 0.2668 -0.4997 0.2651 0.149 Uiso 0.25 1 calc PR
H17C H 0.1722 -0.4997 0.2451 0.149 Uiso 0.25 1 calc PR
C18 C -0.9021(7) -0.9021(7) 0.3333 0.0590(18) Uani 1 2 d S
C19 C -1.0437(9) -1.1343(7) 0.34742(13) 0.163(4) Uani 1 1 d .
H19A H -1.0311 -1.2008 0.3387 0.245 Uiso 1 1 calc R
H19B H -1.1373 -1.1789 0.3534 0.245 Uiso 1 1 calc R
H19C H -0.9778 -1.1001 0.3598 0.245 Uiso 1 1 calc R
H9B H 0.117(4) -0.511(4) 0.1788(6) 0.104(19) Uiso 1 1 d D
H9A H 0.087(8) -0.649(5) 0.1870(12) 0.26(5) 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'
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
O1 Zn1 O8 112.98(9) . .
O1 Zn1 O3 119.22(9) . 11_665
O8 Zn1 O3 127.69(10) . 11_665
O1 Zn1 O9 88.26(9) . .
O8 Zn1 O9 94.14(9) . .
O3 Zn1 O9 90.63(10) 11_665 .
O1 Zn1 O7 97.03(8) . .
O8 Zn1 O7 80.34(8) . .
O3 Zn1 O7 90.08(9) 11_665 .
O9 Zn1 O7 173.51(8) . .
O7 Zn2 O7 176.09(12) . 11
O7 Zn2 O2 94.42(8) . .
O7 Zn2 O2 88.44(8) 11 .
O7 Zn2 O2 88.44(8) . 11
O7 Zn2 O2 94.42(8) 11 11
O2 Zn2 O2 85.69(14) . 11
O7 Zn2 O6 87.15(8) . 11_665
O7 Zn2 O6 90.06(8) 11 11_665
O2 Zn2 O6 92.95(10) . 11_665
O2 Zn2 O6 175.27(8) 11 11_665
O7 Zn2 O6 90.06(8) . 1_565
O7 Zn2 O6 87.14(8) 11 1_565
O2 Zn2 O6 175.27(8) . 1_565
O2 Zn2 O6 92.95(10) 11 1_565
O6 Zn2 O6 88.75(14) 11_665 1_565
C1 O1 Zn1 130.5(2) . .
C1 O2 Zn2 135.66(19) . .
C8 O3 Zn1 126.4(2) . 11_545
C3 O4 H4 109.5 . .
C6 O5 H5 109.5 . .
C8 O6 Zn2 136.3(2) . 1_545
C9 O7 Zn2 133.85(19) . .
C9 O7 Zn1 112.11(17) . .
Zn2 O7 Zn1 112.04(9) . .
C10 O8 Zn1 113.27(16) . .
Zn1 O9 H9B 119(3) . .
Zn1 O9 H9A 137(4) . .
H9B O9 H9A 100.4(7) . .
C12 N1 C11 121.4(3) . .
C12 N1 C15 118.0(3) . .
C11 N1 C15 120.6(3) . .
C16 N2 C16 121.6(5) 11_655 .
C16 N2 C17 119.2(3) 11_655 .
C16 N2 C17 119.2(3) . .
C18 N3 C19 121.8(4) . 9
C18 N3 C19 121.8(4) . .
C19 N3 C19 116.4(9) 9 .
O1 C1 O2 125.1(3) . .
O1 C1 C2 118.0(3) . .
O2 C1 C2 116.9(3) . .
C7 C2 C3 118.5(3) . .
C7 C2 C1 119.4(3) . .
C3 C2 C1 122.0(3) . .
O4 C3 C4 118.1(3) . .
O4 C3 C2 122.7(3) . .
C4 C3 C2 119.2(3) . .
C3 C4 C5 122.0(3) . .
C3 C4 H4A 119.0 . .
C5 C4 H4A 119.0 . .
C4 C5 C6 119.0(3) . .
C4 C5 C8 119.4(3) . .
C6 C5 C8 121.6(3) . .
O5 C6 C7 117.7(3) . .
O5 C6 C5 123.0(3) . .
C7 C6 C5 119.2(3) . .
C6 C7 C2 122.0(3) . .
C6 C7 H7 119.0 . .
C2 C7 H7 119.0 . .
O3 C8 O6 125.1(3) . .
O3 C8 C5 118.3(3) . .
O6 C8 C5 116.5(3) . .
O7 C9 C13 124.8(3) . .
O7 C9 C10 115.8(3) . .
C13 C9 C10 119.3(3) . .
O8 C10 C11 123.7(3) . .
O8 C10 C9 118.4(3) . .
C11 C10 C9 117.9(3) . .
N1 C11 C10 120.3(3) . .
N1 C11 C14 118.3(3) . .
C10 C11 C14 121.4(3) . .
N1 C12 C13 121.2(3) . .
N1 C12 H12 119.4 . .
C13 C12 H12 119.4 . .
C9 C13 C12 119.8(3) . .
C9 C13 H13 120.1 . .
C12 C13 H13 120.1 . .
C11 C14 H14A 109.5 . .
C11 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C11 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 . .
O10 C16 N2 124.0(5) . .
O10 C16 H16 118.0 . .
N2 C16 H16 118.0 . .
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 . .
O11 C18 O11 116.0(9) . 9
O11 C18 N3 122.0(4) . .
O11 C18 N3 122.0(4) 9 .
N3 C19 H19A 109.5 . .
N3 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
N3 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 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 1.998(2) .
Zn1 O8 2.008(2) .
Zn1 O3 2.009(2) 11_665
Zn1 O9 2.054(2) .
Zn1 O7 2.083(2) .
Zn2 O7 2.0590(17) .
Zn2 O7 2.0590(17) 11
Zn2 O2 2.069(2) .
Zn2 O2 2.069(2) 11
Zn2 O6 2.075(2) 11_665
Zn2 O6 2.075(2) 1_565
O1 C1 1.260(3) .
O2 C1 1.266(4) .
O3 C8 1.258(3) .
O3 Zn1 2.009(2) 11_545
O4 C3 1.362(4) .
O4 H4 0.8400 .
O5 C6 1.369(3) .
O5 H5 0.8400 .
O6 C8 1.267(4) .
O6 Zn2 2.075(2) 1_545
O7 C9 1.313(3) .
O8 C10 1.312(4) .
O9 H9B 0.976(5) .
O9 H9A 0.977(5) .
O10 C16 1.215(6) .
O11 C18 1.211(6) .
N1 C12 1.344(4) .
N1 C11 1.366(4) .
N1 C15 1.477(4) .
N2 C16 1.388(4) 11_655
N2 C16 1.388(4) .
N2 C17 1.453(9) .
N3 C18 1.346(9) .
N3 C19 1.436(7) 9
N3 C19 1.436(7) .
C1 C2 1.484(4) .
C2 C7 1.391(4) .
C2 C3 1.420(4) .
C3 C4 1.375(4) .
C4 C5 1.385(4) .
C4 H4A 0.9500 .
C5 C6 1.412(4) .
C5 C8 1.495(4) .
C6 C7 1.377(4) .
C7 H7 0.9500 .
C9 C13 1.377(4) .
C9 C10 1.443(4) .
C10 C11 1.393(4) .
C11 C14 1.512(4) .
C12 C13 1.377(4) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16 0.9500 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 O11 1.211(6) 9
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 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
O8 Zn1 O1 C1 -112.6(3) . .
O3 Zn1 O1 C1 63.9(3) 11_665 .
O9 Zn1 O1 C1 153.7(3) . .
O7 Zn1 O1 C1 -30.1(3) . .
O7 Zn2 O2 C1 4.1(3) . .
O7 Zn2 O2 C1 -173.3(3) 11 .
O2 Zn2 O2 C1 92.2(3) 11 .
O6 Zn2 O2 C1 -83.3(3) 11_665 .
O6 Zn2 O2 C1 165.7(11) 1_565 .
O7 Zn2 O7 C9 -102.5(3) 11 .
O2 Zn2 O7 C9 120.3(3) . .
O2 Zn2 O7 C9 34.8(3) 11 .
O6 Zn2 O7 C9 -146.9(3) 11_665 .
O6 Zn2 O7 C9 -58.2(3) 1_565 .
O7 Zn2 O7 Zn1 95.29(11) 11 .
O2 Zn2 O7 Zn1 -41.86(12) . .
O2 Zn2 O7 Zn1 -127.41(11) 11 .
O6 Zn2 O7 Zn1 50.88(11) 11_665 .
O6 Zn2 O7 Zn1 139.63(11) 1_565 .
O1 Zn1 O7 C9 -114.4(2) . .
O8 Zn1 O7 C9 -2.2(2) . .
O3 Zn1 O7 C9 126.1(2) 11_665 .
O9 Zn1 O7 C9 29.8(9) . .
O1 Zn1 O7 Zn2 51.77(11) . .
O8 Zn1 O7 Zn2 163.98(12) . .
O3 Zn1 O7 Zn2 -67.70(11) 11_665 .
O9 Zn1 O7 Zn2 -163.9(8) . .
O1 Zn1 O8 C10 94.9(2) . .
O3 Zn1 O8 C10 -81.3(2) 11_665 .
O9 Zn1 O8 C10 -175.3(2) . .
O7 Zn1 O8 C10 1.3(2) . .
Zn1 O1 C1 O2 -8.0(5) . .
Zn1 O1 C1 C2 170.4(2) . .
Zn2 O2 C1 O1 25.3(5) . .
Zn2 O2 C1 C2 -153.0(2) . .
O1 C1 C2 C7 1.4(4) . .
O2 C1 C2 C7 179.9(3) . .
O1 C1 C2 C3 -177.0(3) . .
O2 C1 C2 C3 1.5(5) . .
C7 C2 C3 O4 179.0(3) . .
C1 C2 C3 O4 -2.6(5) . .
C7 C2 C3 C4 -0.1(5) . .
C1 C2 C3 C4 178.3(3) . .
O4 C3 C4 C5 178.8(3) . .
C2 C3 C4 C5 -2.0(5) . .
C3 C4 C5 C6 2.1(5) . .
C3 C4 C5 C8 -177.7(3) . .
C4 C5 C6 O5 -179.1(3) . .
C8 C5 C6 O5 0.7(5) . .
C4 C5 C6 C7 -0.1(5) . .
C8 C5 C6 C7 179.8(3) . .
O5 C6 C7 C2 177.0(3) . .
C5 C6 C7 C2 -2.1(5) . .
C3 C2 C7 C6 2.2(5) . .
C1 C2 C7 C6 -176.3(3) . .
Zn1 O3 C8 O6 7.1(5) 11_545 .
Zn1 O3 C8 C5 -174.8(2) 11_545 .
Zn2 O6 C8 O3 -36.7(5) 1_545 .
Zn2 O6 C8 C5 145.1(3) 1_545 .
C4 C5 C8 O3 -3.2(5) . .
C6 C5 C8 O3 176.9(3) . .
C4 C5 C8 O6 175.0(3) . .
C6 C5 C8 O6 -4.8(5) . .
Zn2 O7 C9 C13 19.4(5) . .
Zn1 O7 C9 C13 -178.4(3) . .
Zn2 O7 C9 C10 -159.4(2) . .
Zn1 O7 C9 C10 2.7(3) . .
Zn1 O8 C10 C11 -179.7(3) . .
Zn1 O8 C10 C9 -0.2(4) . .
O7 C9 C10 O8 -1.8(4) . .
C13 C9 C10 O8 179.3(3) . .
O7 C9 C10 C11 177.7(3) . .
C13 C9 C10 C11 -1.2(5) . .
C12 N1 C11 C10 0.8(6) . .
C15 N1 C11 C10 -179.5(4) . .
C12 N1 C11 C14 177.5(3) . .
C15 N1 C11 C14 -2.9(6) . .
O8 C10 C11 N1 180.0(3) . .
C9 C10 C11 N1 0.5(5) . .
O8 C10 C11 C14 3.4(5) . .
C9 C10 C11 C14 -176.1(3) . .
C11 N1 C12 C13 -1.4(6) . .
C15 N1 C12 C13 178.9(4) . .
O7 C9 C13 C12 -178.1(3) . .
C10 C9 C13 C12 0.7(5) . .
N1 C12 C13 C9 0.6(6) . .
C16 N2 C16 O10 170.0(6) 11_655 .
C17 N2 C16 O10 -10.0(6) . .
C19 N3 C18 O11 -1.2(6) 9 .
C19 N3 C18 O11 178.8(6) . .
C19 N3 C18 O11 178.8(6) 9 9
C19 N3 C18 O11 -1.2(6) . 9
