#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:52:43 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179544 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/13/4501328.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_4501328
loop_
_publ_author_name
'Yang, Yan'
'Du, Peng'
'Ma, Jian-Fang'
'Kan, Wei-Qiu'
'Liu, Bo'
'Yang, Jin'
_publ_section_title
;
 A Series of Metal--Organic Frameworks Based on Different Salicylic
 Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand:
 Syntheses, Structures, and Luminescent Properties
;
_journal_issue                   12
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              5540
_journal_paper_doi               10.1021/cg201118x
_journal_volume                  11
_journal_year                    2011
_chemical_formula_moiety         'C24 H22 N4 O6 Zn2, H2O'
_chemical_formula_sum            'C24 H24 N4 O7 Zn2'
_chemical_formula_weight         611.21
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 106.623(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.2517(4)
_cell_length_b                   13.7154(4)
_cell_length_c                   16.8141(6)
_cell_measurement_reflns_used    3262
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1521
_cell_measurement_theta_min      3.0657
_cell_volume                     2486.34(15)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_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  0.0352
_diffrn_reflns_av_sigmaI/netI    0.1005
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            9714
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         3.07
_exptl_absorpt_coefficient_mu    1.982
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.97781
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.633
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1248
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.355
_refine_diff_density_min         -0.298
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.776
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     349
_refine_ls_number_reflns         4375
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.776
_refine_ls_R_factor_all          0.0612
_refine_ls_R_factor_gt           0.0308
_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)+(0.0195P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0521
_refine_ls_wR_factor_ref         0.0544
_reflns_number_gt                2616
_reflns_number_total             4375
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            cg201118x_si_002.cif
_cod_data_source_block           Compound-1
_cod_original_cell_volume        2486.34(14)
_cod_database_code               4501328
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
Zn1 Zn 0.02848(3) 0.11460(3) 0.72396(3) 0.03281(12) Uani 1 1 d .
Zn2 Zn 0.24242(3) 0.33368(2) 0.75713(2) 0.03047(12) Uani 1 1 d .
C1 C -0.2234(3) 0.1228(2) 0.5985(2) 0.0380(9) Uani 1 1 d .
H1 H -0.2575 0.1640 0.6300 0.046 Uiso 1 1 calc R
C2 C -0.2048(3) 0.0320(3) 0.4975(2) 0.0472(10) Uani 1 1 d .
H2 H -0.2209 -0.0010 0.4473 0.057 Uiso 1 1 calc R
C3 C -0.0985(3) 0.0308(2) 0.5596(2) 0.0434(10) Uani 1 1 d .
H3 H -0.0279 -0.0043 0.5593 0.052 Uiso 1 1 calc R
C4 C -0.4121(3) 0.1139(3) 0.4765(2) 0.0573(12) Uani 1 1 d .
H4A H -0.4136 0.1426 0.4235 0.069 Uiso 1 1 calc R
H4B H -0.4448 0.1615 0.5073 0.069 Uiso 1 1 calc R
C5 C -0.4945(3) 0.0239(3) 0.4616(2) 0.0568(11) Uani 1 1 d .
H5A H -0.5767 0.0422 0.4278 0.068 Uiso 1 1 calc R
H5B H -0.4616 -0.0231 0.4302 0.068 Uiso 1 1 calc R
C6 C 0.2955(3) 0.1925(2) 0.9009(2) 0.0382(9) Uani 1 1 d .
H6 H 0.2189 0.1620 0.8813 0.046 Uiso 1 1 calc R
C7 C 0.4778(4) 0.2292(3) 0.9786(3) 0.0651(14) Uani 1 1 d .
H7 H 0.5502 0.2315 1.0225 0.078 Uiso 1 1 calc R
C8 C 0.4501(3) 0.2859(2) 0.9103(3) 0.0581(12) Uani 1 1 d .
H8 H 0.5024 0.3322 0.8979 0.070 Uiso 1 1 calc R
C9 C 0.3737(4) 0.0840(3) 1.0262(2) 0.0645(12) Uani 1 1 d .
C10 C 0.495(4) 0.0190(9) 1.0386(11) 0.064(6) Uani 0.40 1 d P
C10' C 0.4307(10) -0.0067(9) 0.9964(15) 0.057(3) Uani 0.60 1 d P
C11 C -0.0550(3) 0.3984(2) 0.74965(19) 0.0289(8) Uani 1 1 d .
C12 C 0.0370(3) 0.4707(2) 0.75406(19) 0.0318(8) Uani 1 1 d .
C13 C -0.0039(3) 0.5681(2) 0.7436(2) 0.0460(10) Uani 1 1 d .
H13 H 0.0543 0.6172 0.7470 0.055 Uiso 1 1 calc R
C14 C -0.1253(4) 0.5930(3) 0.7286(3) 0.0580(12) Uani 1 1 d .
H14 H -0.1483 0.6582 0.7212 0.070 Uiso 1 1 calc R
C15 C -0.2145(3) 0.5230(3) 0.7244(3) 0.0573(12) Uani 1 1 d .
H15 H -0.2973 0.5404 0.7145 0.069 Uiso 1 1 calc R
C16 C -0.1791(3) 0.4270(3) 0.7350(2) 0.0453(10) Uani 1 1 d .
H16 H -0.2392 0.3796 0.7324 0.054 Uiso 1 1 calc R
C17 C -0.0301(3) 0.2919(2) 0.75409(19) 0.0287(8) Uani 1 1 d .
C18 C 0.1143(3) -0.1170(2) 0.8887(2) 0.0306(8) Uani 1 1 d .
C19 C 0.1891(3) -0.2019(2) 0.8984(2) 0.0286(8) Uani 1 1 d .
C20 C 0.2051(3) -0.2563(2) 0.9712(2) 0.0389(9) Uani 1 1 d .
H20 H 0.2527 -0.3127 0.9783 0.047 Uiso 1 1 calc R
C21 C 0.1539(3) -0.2297(2) 1.0316(2) 0.0488(10) Uani 1 1 d .
H21 H 0.1687 -0.2671 1.0796 0.059 Uiso 1 1 calc R
C22 C 0.0797(4) -0.1478(3) 1.0227(3) 0.0623(12) Uani 1 1 d .
H22 H 0.0434 -0.1297 1.0637 0.075 Uiso 1 1 calc R
C23 C 0.0614(3) -0.0940(3) 0.9514(2) 0.0518(10) Uani 1 1 d .
H23 H 0.0108 -0.0392 0.9448 0.062 Uiso 1 1 calc R
C24 C 0.0897(3) -0.0528(2) 0.8149(2) 0.0311(8) Uani 1 1 d .
N1 N -0.1094(2) 0.08850(18) 0.62300(16) 0.0336(7) Uani 1 1 d .
N2 N -0.2841(2) 0.0910(2) 0.52256(18) 0.0401(8) Uani 1 1 d .
N3 N 0.3331(2) 0.26444(18) 0.86227(17) 0.0353(7) Uani 1 1 d .
N4 N 0.3802(3) 0.1683(2) 0.97158(17) 0.0440(8) Uani 1 1 d .
O1 O 0.07400(18) 0.25868(13) 0.74744(14) 0.0337(6) Uani 1 1 d .
O2 O -0.1100(2) 0.23301(16) 0.76043(15) 0.0457(7) Uani 1 1 d .
O3 O 0.15722(18) 0.45401(14) 0.76990(14) 0.0391(6) Uani 1 1 d .
O4 O 0.05179(19) 0.03434(15) 0.82242(13) 0.0353(6) Uani 1 1 d .
O5 O 0.10530(18) -0.08065(14) 0.74765(14) 0.0326(5) Uani 1 1 d .
O6 O 0.2489(2) -0.23007(14) 0.84531(14) 0.0416(6) Uani 1 1 d .
O1W O 0.1732(2) 0.09533(16) 0.67722(17) 0.0398(7) Uani 1 1 d .
H1A H 0.197(3) 0.144(3) 0.667(2) 0.060 Uiso 1 1 d .
H1B H 0.229(3) 0.056(2) 0.692(2) 0.060 Uiso 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
O4 Zn1 N1 120.71(10) . .
O4 Zn1 O1W 109.30(9) . .
N1 Zn1 O1W 99.45(11) . .
O4 Zn1 O1 114.61(9) . .
N1 Zn1 O1 115.53(10) . .
O1W Zn1 O1 90.93(9) . .
O4 Zn1 O2 95.91(9) . .
N1 Zn1 O2 86.32(9) . .
O1W Zn1 O2 145.82(9) . .
O1 Zn1 O2 56.93(8) . .
O3 Zn2 O6 128.61(10) . 2_556
O3 Zn2 N3 116.42(10) . .
O6 Zn2 N3 114.97(10) 2_556 .
O3 Zn2 O5 87.87(8) . 2_556
O6 Zn2 O5 88.26(9) 2_556 2_556
N3 Zn2 O5 94.79(10) . 2_556
O3 Zn2 O1 87.84(8) . .
O6 Zn2 O1 89.10(9) 2_556 .
N3 Zn2 O1 93.22(9) . .
O5 Zn2 O1 171.95(8) 2_556 .
N1 C1 N2 111.6(3) . .
N1 C1 H1 124.2 . .
N2 C1 H1 124.2 . .
C3 C2 N2 106.5(3) . .
C3 C2 H2 126.7 . .
N2 C2 H2 126.7 . .
C2 C3 N1 109.9(3) . .
C2 C3 H3 125.0 . .
N1 C3 H3 125.0 . .
N2 C4 C5 112.0(3) . .
N2 C4 H4A 109.2 . .
C5 C4 H4A 109.2 . .
N2 C4 H4B 109.2 . .
C5 C4 H4B 109.2 . .
H4A C4 H4B 107.9 . .
C5 C5 C4 114.4(4) 3_456 .
C5 C5 H5A 108.7 3_456 .
C4 C5 H5A 108.7 . .
C5 C5 H5B 108.7 3_456 .
C4 C5 H5B 108.7 . .
H5A C5 H5B 107.6 . .
N3 C6 N4 112.1(3) . .
N3 C6 H6 123.9 . .
N4 C6 H6 123.9 . .
C8 C7 N4 107.3(3) . .
C8 C7 H7 126.4 . .
N4 C7 H7 126.4 . .
C7 C8 N3 109.2(3) . .
C7 C8 H8 125.4 . .
N3 C8 H8 125.4 . .
N4 C9 C10' 109.0(7) . .
N4 C9 C10 109.0(10) . .
C10' C9 C10 34.2(5) . .
C10' C10 C10' 94(2) . 3_657
C10' C10 C10 54.2(14) . 3_657
C10' C10 C10 39.9(15) 3_657 3_657
C10' C10 C9 70(3) . .
C10' C10 C9 136.7(13) 3_657 .
C10 C10 C9 112(3) 3_657 .
C10 C10' C10 86(2) . 3_657
C10 C10' C10' 49.1(19) . 3_657
C10 C10' C10' 36.7(10) 3_657 3_657
C10 C10' C9 75(3) . .
C10 C10' C9 134.8(11) 3_657 .
C10' C10' C9 112.5(18) 3_657 .
C16 C11 C12 119.2(3) . .
C16 C11 C17 116.6(3) . .
C12 C11 C17 124.1(3) . .
O3 C12 C13 118.0(3) . .
O3 C12 C11 125.3(3) . .
C13 C12 C11 116.7(3) . .
C14 C13 C12 122.5(3) . .
C14 C13 H13 118.7 . .
C12 C13 H13 118.7 . .
C13 C14 C15 120.9(3) . .
C13 C14 H14 119.6 . .
C15 C14 H14 119.6 . .
C16 C15 C14 118.9(3) . .
C16 C15 H15 120.6 . .
C14 C15 H15 120.6 . .
C15 C16 C11 121.9(3) . .
C15 C16 H16 119.1 . .
C11 C16 H16 119.1 . .
O2 C17 O1 118.5(3) . .
O2 C17 C11 121.0(3) . .
O1 C17 C11 120.4(3) . .
C23 C18 C19 118.0(3) . .
C23 C18 C24 118.9(3) . .
C19 C18 C24 123.1(3) . .
O6 C19 C20 118.2(3) . .
O6 C19 C18 124.3(3) . .
C20 C19 C18 117.5(3) . .
C21 C20 C19 122.5(3) . .
C21 C20 H20 118.8 . .
C19 C20 H20 118.8 . .
C20 C21 C22 120.8(4) . .
C20 C21 H21 119.6 . .
C22 C21 H21 119.6 . .
C23 C22 C21 117.8(4) . .
C23 C22 H22 121.1 . .
C21 C22 H22 121.1 . .
C22 C23 C18 123.5(3) . .
C22 C23 H23 118.3 . .
C18 C23 H23 118.3 . .
O5 C24 O4 120.6(3) . .
O5 C24 C18 122.2(3) . .
O4 C24 C18 117.2(3) . .
C1 N1 C3 105.1(3) . .
C1 N1 Zn1 131.2(2) . .
C3 N1 Zn1 123.6(2) . .
C1 N2 C2 106.8(3) . .
C1 N2 C4 126.3(3) . .
C2 N2 C4 126.8(3) . .
C6 N3 C8 105.1(3) . .
C6 N3 Zn2 129.4(2) . .
C8 N3 Zn2 125.5(2) . .
C6 N4 C7 106.2(3) . .
C6 N4 C9 126.3(3) . .
C7 N4 C9 127.2(3) . .
C17 O1 Zn1 100.03(18) . .
C17 O1 Zn2 129.40(19) . .
Zn1 O1 Zn2 130.57(10) . .
C17 O2 Zn1 83.15(19) . .
C12 O3 Zn2 129.16(19) . .
C24 O4 Zn1 114.2(2) . .
C24 O5 Zn2 122.2(2) . 2_546
C19 O6 Zn2 128.8(2) . 2_546
Zn1 O1W H1A 111(3) . .
Zn1 O1W H1B 127(3) . .
H1A O1W H1B 111(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O4 1.942(2) .
Zn1 N1 1.977(2) .
Zn1 O1W 2.018(3) .
Zn1 O1 2.0512(19) .
Zn1 O2 2.447(2) .
Zn2 O3 1.951(2) .
Zn2 O6 1.959(2) 2_556
Zn2 N3 2.009(3) .
Zn2 O5 2.098(2) 2_556
Zn2 O1 2.121(2) .
C1 N1 1.317(4) .
C1 N2 1.337(4) .
C1 H1 0.9300 .
C2 C3 1.344(4) .
C2 N2 1.356(4) .
C2 H2 0.9300 .
C3 N1 1.361(4) .
C3 H3 0.9300 .
C4 N2 1.461(4) .
C4 C5 1.521(5) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C5 1.485(7) 3_456
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 N3 1.317(4) .
C6 N4 1.335(4) .
C6 H6 0.9300 .
C7 C8 1.347(5) .
C7 N4 1.357(4) .
C7 H7 0.9300 .
C8 N3 1.365(4) .
C8 H8 0.9300 .
C9 N4 1.491(4) .
C9 C10' 1.55(2) .
C9 C10 1.59(4) .
C10 C10' 0.923(16) .
C10 C10' 1.17(2) 3_657
C10 C10 1.44(4) 3_657
C10' C10 1.17(2) 3_657
C10' C10' 1.54(2) 3_657
C11 C16 1.404(4) .
C11 C12 1.421(4) .
C11 C17 1.484(4) .
C12 O3 1.321(3) .
C12 C13 1.407(4) .
C13 C14 1.360(4) .
C13 H13 0.9300 .
C14 C15 1.376(5) .
C14 H14 0.9300 .
C15 C16 1.372(4) .
C15 H15 0.9300 .
C16 H16 0.9300 .
C17 O2 1.236(3) .
C17 O1 1.291(3) .
C18 C23 1.387(4) .
C18 C19 1.418(4) .
C18 C24 1.483(4) .
C19 O6 1.320(4) .
C19 C20 1.400(4) .
C20 C21 1.353(5) .
C20 H20 0.9300 .
C21 C22 1.382(5) .
C21 H21 0.9300 .
C22 C23 1.372(5) .
C22 H22 0.9300 .
C23 H23 0.9300 .
C24 O5 1.252(4) .
C24 O4 1.287(3) .
O5 Zn2 2.098(2) 2_546
O6 Zn2 1.959(2) 2_546
O1W H1A 0.75(3) .
O1W H1B 0.81(3) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H1B O3 0.81(3) 1.88(3) 2.687(3) 173(4) 2_546
O1W H1A O6 0.75(3) 1.87(3) 2.615(3) 173(4) 2_556
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
N2 C2 C3 N1 -0.4(4) . .
N2 C4 C5 C5 62.1(6) . 3_456
N4 C7 C8 N3 3.0(5) . .
N4 C9 C10 C10' -96(2) . .
N4 C9 C10 C10' -22(5) . 3_657
C10' C9 C10 C10' 75(3) . 3_657
N4 C9 C10 C10 -61(3) . 3_657
C10' C9 C10 C10 35.5(14) . 3_657
C10' C10 C10' C10 0.000(4) 3_657 3_657
C9 C10 C10' C10 138.4(8) . 3_657
C10 C10 C10' C10' 0.000(9) 3_657 3_657
C9 C10 C10' C10' 138.4(8) . 3_657
C10' C10 C10' C9 -138.4(8) 3_657 .
C10 C10 C10' C9 -138.4(8) 3_657 .
N4 C9 C10' C10 96(2) . .
N4 C9 C10' C10 27(4) . 3_657
C10 C9 C10' C10 -69(3) . 3_657
N4 C9 C10' C10' 63(2) . 3_657
C10 C9 C10' C10' -32.9(11) . 3_657
C16 C11 C12 O3 177.9(3) . .
C17 C11 C12 O3 -6.3(5) . .
C16 C11 C12 C13 0.3(5) . .
C17 C11 C12 C13 176.1(3) . .
O3 C12 C13 C14 -178.8(3) . .
C11 C12 C13 C14 -1.0(5) . .
C12 C13 C14 C15 1.1(6) . .
C13 C14 C15 C16 -0.4(6) . .
C14 C15 C16 C11 -0.3(6) . .
C12 C11 C16 C15 0.3(5) . .
C17 C11 C16 C15 -175.8(3) . .
C16 C11 C17 O2 -13.3(5) . .
C12 C11 C17 O2 170.8(3) . .
C16 C11 C17 O1 163.4(3) . .
C12 C11 C17 O1 -12.5(5) . .
C23 C18 C19 O6 -177.2(3) . .
C24 C18 C19 O6 3.3(5) . .
C23 C18 C19 C20 -0.5(4) . .
C24 C18 C19 C20 180.0(3) . .
O6 C19 C20 C21 175.9(3) . .
C18 C19 C20 C21 -1.0(5) . .
C19 C20 C21 C22 1.7(5) . .
C20 C21 C22 C23 -0.8(6) . .
C21 C22 C23 C18 -0.7(6) . .
C19 C18 C23 C22 1.4(5) . .
C24 C18 C23 C22 -179.1(3) . .
C23 C18 C24 O5 -160.7(3) . .
C19 C18 C24 O5 18.8(5) . .
C23 C18 C24 O4 19.7(4) . .
C19 C18 C24 O4 -160.8(3) . .
N2 C1 N1 C3 -1.0(4) . .
N2 C1 N1 Zn1 175.5(2) . .
C2 C3 N1 C1 0.8(4) . .
C2 C3 N1 Zn1 -176.0(2) . .
O4 Zn1 N1 C1 91.3(3) . .
O1W Zn1 N1 C1 -149.5(3) . .
O1 Zn1 N1 C1 -53.8(3) . .
O2 Zn1 N1 C1 -3.4(3) . .
O4 Zn1 N1 C3 -92.8(3) . .
O1W Zn1 N1 C3 26.4(3) . .
O1 Zn1 N1 C3 122.1(3) . .
O2 Zn1 N1 C3 172.5(3) . .
N1 C1 N2 C2 0.8(4) . .
N1 C1 N2 C4 179.5(3) . .
C3 C2 N2 C1 -0.2(4) . .
C3 C2 N2 C4 -179.0(3) . .
C5 C4 N2 C1 -115.5(4) . .
C5 C4 N2 C2 63.1(5) . .
N4 C6 N3 C8 1.5(4) . .
N4 C6 N3 Zn2 -177.1(2) . .
C7 C8 N3 C6 -2.8(4) . .
C7 C8 N3 Zn2 175.9(3) . .
O3 Zn2 N3 C6 95.0(3) . .
O6 Zn2 N3 C6 -84.7(3) 2_556 .
O5 Zn2 N3 C6 -175.0(3) 2_556 .
O1 Zn2 N3 C6 5.8(3) . .
O3 Zn2 N3 C8 -83.3(3) . .
O6 Zn2 N3 C8 97.0(3) 2_556 .
O5 Zn2 N3 C8 6.7(3) 2_556 .
O1 Zn2 N3 C8 -172.5(3) . .
N3 C6 N4 C7 0.3(4) . .
N3 C6 N4 C9 -173.4(3) . .
C8 C7 N4 C6 -2.1(4) . .
C8 C7 N4 C9 171.6(4) . .
C10' C9 N4 C6 88.1(8) . .
C10 C9 N4 C6 124.3(10) . .
C10' C9 N4 C7 -84.4(8) . .
C10 C9 N4 C7 -48.2(10) . .
O2 C17 O1 Zn1 12.8(3) . .
C11 C17 O1 Zn1 -164.0(2) . .
O2 C17 O1 Zn2 -167.7(2) . .
C11 C17 O1 Zn2 15.4(4) . .
O4 Zn1 O1 C17 -87.35(19) . .
N1 Zn1 O1 C17 59.9(2) . .
O1W Zn1 O1 C17 160.87(19) . .
O2 Zn1 O1 C17 -6.74(17) . .
O4 Zn1 O1 Zn2 93.21(15) . .
N1 Zn1 O1 Zn2 -119.51(14) . .
O1W Zn1 O1 Zn2 -18.57(15) . .
O2 Zn1 O1 Zn2 173.81(18) . .
O3 Zn2 O1 C17 -3.4(3) . .
O6 Zn2 O1 C17 -132.1(3) 2_556 .
N3 Zn2 O1 C17 112.9(3) . .
O5 Zn2 O1 C17 -61.3(7) 2_556 .
O3 Zn2 O1 Zn1 175.84(15) . .
O6 Zn2 O1 Zn1 47.15(15) 2_556 .
N3 Zn2 O1 Zn1 -67.80(16) . .
O5 Zn2 O1 Zn1 118.0(6) 2_556 .
O1 C17 O2 Zn1 -10.6(3) . .
C11 C17 O2 Zn1 166.2(3) . .
O4 Zn1 O2 C17 122.60(19) . .
N1 Zn1 O2 C17 -116.9(2) . .
O1W Zn1 O2 C17 -15.5(3) . .
O1 Zn1 O2 C17 6.98(17) . .
C13 C12 O3 Zn2 -160.7(2) . .
C11 C12 O3 Zn2 21.8(5) . .
O6 Zn2 O3 C12 71.9(3) 2_556 .
N3 Zn2 O3 C12 -107.7(3) . .
O5 Zn2 O3 C12 158.0(3) 2_556 .
O1 Zn2 O3 C12 -15.2(3) . .
O5 C24 O4 Zn1 -1.9(4) . .
C18 C24 O4 Zn1 177.6(2) . .
N1 Zn1 O4 C24 70.5(2) . .
O1W Zn1 O4 C24 -43.7(2) . .
O1 Zn1 O4 C24 -144.0(2) . .
O2 Zn1 O4 C24 159.7(2) . .
O4 C24 O5 Zn2 139.0(2) . 2_546
C18 C24 O5 Zn2 -40.5(4) . 2_546
C20 C19 O6 Zn2 -175.0(2) . 2_546
C18 C19 O6 Zn2 1.7(4) . 2_546
