#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:29:24 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180476 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/45/7214587.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_7214587
loop_
_publ_author_name
'Yang, Li-Rong'
'Zhang, Huai-Min'
'You, Qian-qian'
'Wu, Lan-Zhi'
'Liu, Liu'
'Song, Shuang'
_publ_section_title
;
 Coordination polymers based on
 3,3′,4,4′-benzophenone-tetracarboxylate and N-containing
 pillars: syntheses, structure, characterization and properties
;
_journal_issue                   37
_journal_name_full               CrystEngComm
_journal_page_first              7505
_journal_paper_doi               10.1039/c3ce40456k
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety         'C27 H16 N2 O10 Zn2, 0.5(C10 H8 N2)'
_chemical_formula_sum            'C32 H20 N3 O10 Zn2'
_chemical_formula_weight         737.25
_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                 95.3940(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.0632(6)
_cell_length_b                   15.0159(8)
_cell_length_c                   16.7772(9)
_cell_measurement_reflns_used    1759
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      20.38
_cell_measurement_theta_min      2.29
_cell_volume                     2774.8(3)
_computing_cell_refinement       'APEX 2'
_computing_data_collection       'APEX 2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2009)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Smart APEX II CCD area detector'
_diffrn_measurement_method       'φ and ω 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  0.0196
_diffrn_reflns_av_sigmaI/netI    0.0234
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            13891
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    1.800
_exptl_absorpt_correction_T_max  0.6519
_exptl_absorpt_correction_T_min  0.5257
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2009)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.765
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1492
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.587
_refine_diff_density_min         -0.569
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     424
_refine_ls_number_reflns         4873
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0378
_refine_ls_R_factor_gt           0.0312
_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)+(0.0472P)²+2.3010P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0862
_refine_ls_wR_factor_ref         0.0887
_reflns_number_gt                4232
_reflns_number_total             4873
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40456k.txt
_cod_data_source_block           3677
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7214587
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 0.21938(3) 0.11652(2) -0.033322(18) 0.02263(10) Uani 1 1 d .
Zn2 Zn 0.61296(3) 0.13881(2) 0.134581(19) 0.03022(11) Uani 1 1 d .
C1 C 0.3995(2) 0.62129(18) -0.31447(17) 0.0265(6) Uani 1 1 d .
C2 C 0.4734(3) 0.57399(18) -0.24623(17) 0.0261(6) Uani 1 1 d .
C3 C 0.5263(3) 0.49268(18) -0.26004(16) 0.0282(6) Uani 1 1 d .
H3 H 0.5254 0.4714 -0.3122 0.034 Uiso 1 1 calc R
C4 C 0.5809(3) 0.44214(18) -0.19682(17) 0.0277(6) Uani 1 1 d .
C5 C 0.5802(3) 0.47280(19) -0.11896(17) 0.0306(6) Uani 1 1 d .
H5 H 0.6119 0.4379 -0.0763 0.037 Uiso 1 1 calc R
C6 C 0.5316(3) 0.55608(19) -0.10514(18) 0.0318(7) Uani 1 1 d .
H6 H 0.5344 0.5778 -0.0531 0.038 Uiso 1 1 calc R
C7 C 0.4792(3) 0.60715(18) -0.16793(17) 0.0277(6) Uani 1 1 d .
C8 C 0.4382(3) 0.7005(2) -0.15070(19) 0.0361(7) Uani 1 1 d .
C9 C 0.6505(3) 0.36081(18) -0.21652(17) 0.0284(6) Uani 1 1 d .
C10 C 0.4716(3) 0.15184(17) -0.02695(16) 0.0247(6) Uani 1 1 d .
C11 C 0.5824(2) 0.18194(17) -0.06552(15) 0.0219(5) Uani 1 1 d .
C12 C 0.5691(3) 0.25527(18) -0.11700(16) 0.0258(6) Uani 1 1 d .
H12 H 0.4953 0.2854 -0.1229 0.031 Uiso 1 1 calc R
C13 C 0.6637(3) 0.28402(17) -0.15939(16) 0.0266(6) Uani 1 1 d .
C14 C 0.7721(3) 0.23661(19) -0.15330(17) 0.0295(6) Uani 1 1 d .
H14 H 0.8344 0.2534 -0.1837 0.035 Uiso 1 1 calc R
C15 C 0.7872(3) 0.16445(19) -0.10198(17) 0.0292(6) Uani 1 1 d .
H15 H 0.8601 0.1332 -0.0979 0.035 Uiso 1 1 calc R
C16 C 0.6947(2) 0.13822(17) -0.05642(16) 0.0239(6) Uani 1 1 d .
C17 C 0.7255(2) 0.05994(18) -0.00129(16) 0.0244(6) Uani 1 1 d .
C18 C 0.4328(3) 0.0253(2) 0.20610(19) 0.0391(8) Uani 1 1 d .
H18 H 0.3785 0.0665 0.1818 0.047 Uiso 1 1 calc R
C19 C 0.3896(3) -0.0397(2) 0.2535(2) 0.0418(8) Uani 1 1 d .
H19 H 0.3073 -0.0413 0.2609 0.050 Uiso 1 1 calc R
C20 C 0.6228(3) -0.0316(2) 0.2250(2) 0.0417(8) Uani 1 1 d .
H20 H 0.7035 -0.0306 0.2138 0.050 Uiso 1 1 calc R
C21 C 0.5864(3) -0.0983(2) 0.2734(2) 0.0433(8) Uani 1 1 d .
H21 H 0.6422 -0.1403 0.2946 0.052 Uiso 1 1 calc R
C22 C 0.4669(3) -0.10292(18) 0.29054(17) 0.0270(6) Uani 1 1 d .
C23 C 0.4246(3) -0.17018(18) 0.34688(17) 0.0271(6) Uani 1 1 d .
C24 C 0.5007(3) -0.2356(2) 0.3822(2) 0.0392(8) Uani 1 1 d .
H24 H 0.5808 -0.2394 0.3700 0.047 Uiso 1 1 calc R
C25 C 0.4573(3) -0.2949(2) 0.4353(2) 0.0379(7) Uani 1 1 d .
H25 H 0.5099 -0.3384 0.4579 0.045 Uiso 1 1 calc R
C26 C 0.3066(3) -0.1699(2) 0.3678(2) 0.0396(8) Uani 1 1 d .
H26 H 0.2518 -0.1277 0.3457 0.048 Uiso 1 1 calc R
C27 C 0.2702(3) -0.2315(2) 0.4210(2) 0.0383(7) Uani 1 1 d .
H27 H 0.1899 -0.2302 0.4332 0.046 Uiso 1 1 calc R
C28 C 0.1027(5) 0.3682(3) 0.8847(3) 0.0730(13) Uani 1 1 d .
H28 H 0.0823 0.3161 0.8566 0.088 Uiso 1 1 calc R
C29 C 0.0189(5) 0.4033(3) 0.9322(3) 0.0703(13) Uani 1 1 d .
H29 H -0.0552 0.3749 0.9350 0.084 Uiso 1 1 calc R
C30 C 0.0443(3) 0.4797(2) 0.97490(19) 0.0448(8) Uani 1 1 d .
C31 C 0.1556(4) 0.5183(3) 0.9672(3) 0.0714(13) Uani 1 1 d .
H31 H 0.1776 0.5707 0.9944 0.086 Uiso 1 1 calc R
C32 C 0.2340(4) 0.4788(4) 0.9189(3) 0.0808(15) Uani 1 1 d .
H32 H 0.3088 0.5060 0.9152 0.097 Uiso 1 1 calc R
N1 N 0.5495(2) 0.03141(15) 0.19357(13) 0.0273(5) Uani 1 1 d .
N2 N 0.3439(2) -0.29323(15) 0.45600(14) 0.0273(5) Uani 1 1 d .
N3 N 0.2106(4) 0.4041(3) 0.8768(2) 0.0674(10) Uani 1 1 d .
O1 O 0.41504(18) 0.59468(14) -0.38461(12) 0.0320(5) Uani 1 1 d .
O2 O 0.3250(2) 0.67813(14) -0.29860(13) 0.0390(5) Uani 1 1 d .
O3 O 0.4927(2) 0.76355(14) -0.18211(15) 0.0442(6) Uani 1 1 d .
O4 O 0.3579(2) 0.71243(17) -0.10549(14) 0.0524(6) Uani 1 1 d .
O5 O 0.7006(2) 0.35943(14) -0.27748(13) 0.0409(5) Uani 1 1 d .
O6 O 0.37195(17) 0.16136(14) -0.06834(12) 0.0329(5) Uani 1 1 d .
O7 O 0.47999(19) 0.12133(15) 0.04222(12) 0.0404(5) Uani 1 1 d .
O8 O 0.7231(2) 0.06669(14) 0.07249(12) 0.0401(5) Uani 1 1 d .
O9 O 0.76117(19) -0.00877(13) -0.03455(11) 0.0307(4) Uani 1 1 d .
O1W O 0.75580(19) 0.16798(15) 0.22614(13) 0.0380(5) Uani 1 1 d .
H1WA H 0.7454 0.2206 0.2429 0.046 Uiso 1 1 d R
H1WB H 0.7660 0.1340 0.2668 0.046 Uiso 1 1 d R
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
_geom_angle_publ_flag
O1 Zn1 O6 117.77(8) 2_544 . y
O1 Zn1 O9 107.59(9) 2_544 3_655 y
O6 Zn1 O9 113.81(8) . 3_655 y
O1 Zn1 N2 105.95(9) 2_544 2 y
O6 Zn1 N2 108.57(9) . 2 y
O9 Zn1 N2 101.66(8) 3_655 2 y
O8 Zn2 N1 94.53(9) . . y
O8 Zn2 O7 88.06(9) . . y
N1 Zn2 O7 90.58(9) . . y
O8 Zn2 O3 167.27(9) . 3_665 y
N1 Zn2 O3 97.98(9) . 3_665 y
O7 Zn2 O3 89.47(9) . 3_665 y
O8 Zn2 O1W 92.27(9) . . y
N1 Zn2 O1W 94.46(9) . . y
O7 Zn2 O1W 174.91(8) . . y
O3 Zn2 O1W 89.11(8) 3_665 . y
O8 Zn2 O4 108.03(9) . 3_665 y
N1 Zn2 O4 157.11(9) . 3_665 y
O7 Zn2 O4 93.92(9) . 3_665 y
O3 Zn2 O4 59.69(9) 3_665 3_665 y
O1W Zn2 O4 81.15(9) . 3_665 y
O8 Zn2 C8 137.41(11) . 3_665 y
N1 Zn2 C8 128.01(10) . 3_665 y
O7 Zn2 C8 92.96(10) . 3_665 y
O3 Zn2 C8 30.33(10) 3_665 3_665 y
O1W Zn2 C8 83.36(9) . 3_665 y
O4 Zn2 C8 29.39(10) 3_665 3_665 y
O2 C1 O1 124.7(3) . . ?
O2 C1 C2 119.0(3) . . ?
O1 C1 C2 116.2(2) . . ?
C3 C2 C7 119.2(3) . . ?
C3 C2 C1 119.5(3) . . ?
C7 C2 C1 121.0(2) . . ?
C2 C3 C4 120.9(3) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 H3 119.6 . . ?
C5 C4 C3 119.7(3) . . ?
C5 C4 C9 121.9(3) . . ?
C3 C4 C9 118.1(3) . . ?
C4 C5 C6 119.6(3) . . ?
C4 C5 H5 120.2 . . ?
C6 C5 H5 120.2 . . ?
C7 C6 C5 120.8(3) . . ?
C7 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
C6 C7 C2 119.7(3) . . ?
C6 C7 C8 118.7(3) . . ?
C2 C7 C8 121.4(3) . . ?
O4 C8 O3 123.2(3) . . ?
O4 C8 C7 119.9(3) . . ?
O3 C8 C7 116.9(3) . . ?
O4 C8 Zn2 67.06(18) . 3_665 ?
O3 C8 Zn2 56.22(16) . 3_665 ?
C7 C8 Zn2 173.0(2) . 3_665 ?
O5 C9 C4 119.2(3) . . ?
O5 C9 C13 120.2(3) . . ?
C4 C9 C13 120.5(2) . . ?
O7 C10 O6 122.9(3) . . ?
O7 C10 C11 121.2(2) . . ?
O6 C10 C11 115.8(2) . . ?
C12 C11 C16 118.5(2) . . ?
C12 C11 C10 117.3(2) . . ?
C16 C11 C10 124.1(2) . . ?
C13 C12 C11 121.4(3) . . ?
C13 C12 H12 119.3 . . ?
C11 C12 H12 119.3 . . ?
C12 C13 C14 119.3(2) . . ?
C12 C13 C9 122.3(3) . . ?
C14 C13 C9 118.2(3) . . ?
C15 C14 C13 120.0(3) . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C14 C15 C16 120.8(3) . . ?
C14 C15 H15 119.6 . . ?
C16 C15 H15 119.6 . . ?
C15 C16 C11 119.9(2) . . ?
C15 C16 C17 114.9(2) . . ?
C11 C16 C17 125.2(2) . . ?
O8 C17 O9 123.1(2) . . ?
O8 C17 C16 121.3(2) . . ?
O9 C17 C16 115.4(2) . . ?
N1 C18 C19 122.5(3) . . ?
N1 C18 H18 118.8 . . ?
C19 C18 H18 118.8 . . ?
C18 C19 C22 120.8(3) . . ?
C18 C19 H19 119.6 . . ?
C22 C19 H19 119.6 . . ?
N1 C20 C21 123.7(3) . . ?
N1 C20 H20 118.2 . . ?
C21 C20 H20 118.2 . . ?
C20 C21 C22 120.0(3) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C21 C22 C19 115.8(3) . . ?
C21 C22 C23 122.0(3) . . ?
C19 C22 C23 122.2(3) . . ?
C26 C23 C24 116.2(3) . . ?
C26 C23 C22 121.3(3) . . ?
C24 C23 C22 122.5(3) . . ?
C25 C24 C23 120.0(3) . . ?
C25 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
N2 C25 C24 123.3(3) . . ?
N2 C25 H25 118.3 . . ?
C24 C25 H25 118.3 . . ?
C27 C26 C23 120.3(3) . . ?
C27 C26 H26 119.8 . . ?
C23 C26 H26 119.8 . . ?
N2 C27 C26 123.4(3) . . ?
N2 C27 H27 118.3 . . ?
C26 C27 H27 118.3 . . ?
N3 C28 C29 124.1(4) . . ?
N3 C28 H28 118.0 . . ?
C29 C28 H28 117.9 . . ?
C30 C29 C28 120.4(4) . . ?
C30 C29 H29 119.8 . . ?
C28 C29 H29 119.8 . . ?
C29 C30 C31 116.5(4) . . ?
C29 C30 C30 121.9(4) . 3_567 ?
C31 C30 C30 121.6(4) . 3_567 ?
C32 C31 C30 119.4(4) . . ?
C32 C31 H31 120.3 . . ?
C30 C31 H31 120.3 . . ?
N3 C32 C31 124.9(5) . . ?
N3 C32 H32 117.6 . . ?
C31 C32 H32 117.6 . . ?
C20 N1 C18 117.0(2) . . ?
C20 N1 Zn2 122.0(2) . . ?
C18 N1 Zn2 120.82(19) . . ?
C27 N2 C25 116.7(2) . . ?
C27 N2 Zn1 120.59(19) . 2_545 ?
C25 N2 Zn1 122.6(2) . 2_545 ?
C28 N3 C32 114.7(4) . . ?
C1 O1 Zn1 116.05(18) . 2_554 ?
C8 O3 Zn2 93.5(2) . 3_665 ?
C8 O4 Zn2 83.6(2) . 3_665 ?
C10 O6 Zn1 122.14(18) . . ?
C10 O7 Zn2 130.07(19) . . ?
C17 O8 Zn2 129.35(18) . . ?
C17 O9 Zn1 116.00(17) . 3_655 ?
Zn2 O1W H1WA 108.3 . . ?
Zn2 O1W H1WB 119.0 . . ?
H1WA O1W H1WB 107.7 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 O1 1.9570(19) 2_544 y
Zn1 O6 1.9581(19) . y
Zn1 O9 1.9786(19) 3_655 y
Zn1 N2 2.044(2) 2 y
Zn2 O8 1.996(2) . y
Zn2 N1 2.050(2) . y
Zn2 O7 2.051(2) . y
Zn2 O3 2.080(2) 3_665 y
Zn2 O1W 2.143(2) . y
Zn2 O4 2.315(3) 3_665 y
Zn2 C8 2.498(3) 3_665 y
C1 O2 1.233(4) . ?
C1 O1 1.270(3) . ?
C1 C2 1.519(4) . ?
C2 C3 1.383(4) . ?
C2 C7 1.401(4) . ?
C3 C4 1.395(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.386(4) . ?
C4 C9 1.497(4) . ?
C5 C6 1.389(4) . ?
C5 H5 0.9300 . ?
C6 C7 1.386(4) . ?
C6 H6 0.9300 . ?
C7 C8 1.510(4) . ?
C8 O4 1.234(4) . ?
C8 O3 1.264(4) . ?
C8 Zn2 2.498(3) 3_665 y
C9 O5 1.208(4) . ?
C9 C13 1.498(4) . ?
C10 O7 1.243(3) . ?
C10 O6 1.254(3) . ?
C10 C11 1.509(4) . ?
C11 C12 1.399(4) . ?
C11 C16 1.401(4) . ?
C12 C13 1.388(4) . ?
C12 H12 0.9300 . ?
C13 C14 1.390(4) . ?
C14 C15 1.384(4) . ?
C14 H14 0.9300 . ?
C15 C16 1.390(4) . ?
C15 H15 0.9300 . ?
C16 C17 1.514(4) . ?
C17 O8 1.245(3) . ?
C17 O9 1.254(3) . ?
C18 N1 1.330(4) . ?
C18 C19 1.373(4) . ?
C18 H18 0.9300 . ?
C19 C22 1.385(4) . ?
C19 H19 0.9300 . ?
C20 N1 1.323(4) . ?
C20 C21 1.373(4) . ?
C20 H20 0.9300 . ?
C21 C22 1.382(4) . ?
C21 H21 0.9300 . ?
C22 C23 1.488(4) . ?
C23 C26 1.383(4) . ?
C23 C24 1.390(4) . ?
C24 C25 1.377(4) . ?
C24 H24 0.9300 . ?
C25 N2 1.334(4) . ?
C25 H25 0.9300 . ?
C26 C27 1.372(4) . ?
C26 H26 0.9300 . ?
C27 N2 1.334(4) . ?
C27 H27 0.9300 . ?
C28 N3 1.328(6) . ?
C28 C29 1.382(6) . ?
C28 H28 0.9300 . ?
C29 C30 1.367(5) . ?
C29 H29 0.9300 . ?
C30 C31 1.379(6) . ?
C30 C30 1.483(7) 3_567 ?
C31 C32 1.376(6) . ?
C31 H31 0.9300 . ?
C32 N3 1.338(6) . ?
C32 H32 0.9300 . ?
N2 Zn1 2.044(2) 2_545 y
O1 Zn1 1.9570(19) 2_554 y
O3 Zn2 2.081(2) 3_665 y
O4 Zn2 2.315(3) 3_665 y
O9 Zn1 1.9787(19) 3_655 y
O1W H1WA 0.8500 . ?
O1W H1WB 0.8500 . ?
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 159.0(3) . .
O1 C1 C2 C3 -17.0(4) . .
O2 C1 C2 C7 -14.9(4) . .
O1 C1 C2 C7 169.2(2) . .
C7 C2 C3 C4 2.5(4) . .
C1 C2 C3 C4 -171.5(3) . .
C2 C3 C4 C5 1.3(4) . .
C2 C3 C4 C9 -172.2(3) . .
C3 C4 C5 C6 -4.0(4) . .
C9 C4 C5 C6 169.2(3) . .
C4 C5 C6 C7 2.9(4) . .
C5 C6 C7 C2 0.9(4) . .
C5 C6 C7 C8 -174.4(3) . .
C3 C2 C7 C6 -3.6(4) . .
C1 C2 C7 C6 170.3(3) . .
C3 C2 C7 C8 171.7(3) . .
C1 C2 C7 C8 -14.5(4) . .
C6 C7 C8 O4 -62.4(4) . .
C2 C7 C8 O4 122.3(3) . .
C6 C7 C8 O3 115.1(3) . .
C2 C7 C8 O3 -60.1(4) . .
C5 C4 C9 O5 -142.7(3) . .
C3 C4 C9 O5 30.6(4) . .
C5 C4 C9 C13 34.0(4) . .
C3 C4 C9 C13 -152.7(3) . .
O7 C10 C11 C12 -145.1(3) . .
O6 C10 C11 C12 33.5(4) . .
O7 C10 C11 C16 38.6(4) . .
O6 C10 C11 C16 -142.8(3) . .
C16 C11 C12 C13 0.9(4) . .
C10 C11 C12 C13 -175.6(2) . .
C11 C12 C13 C14 2.9(4) . .
C11 C12 C13 C9 178.3(3) . .
O5 C9 C13 C12 -143.5(3) . .
C4 C9 C13 C12 39.9(4) . .
O5 C9 C13 C14 32.0(4) . .
C4 C9 C13 C14 -144.7(3) . .
C12 C13 C14 C15 -3.5(4) . .
C9 C13 C14 C15 -179.1(3) . .
C13 C14 C15 C16 0.3(4) . .
C14 C15 C16 C11 3.5(4) . .
C14 C15 C16 C17 -178.3(3) . .
C12 C11 C16 C15 -4.1(4) . .
C10 C11 C16 C15 172.1(3) . .
C12 C11 C16 C17 177.9(3) . .
C10 C11 C16 C17 -5.8(4) . .
C15 C16 C17 O8 120.2(3) . .
C11 C16 C17 O8 -61.8(4) . .
C15 C16 C17 O9 -54.9(3) . .
C11 C16 C17 O9 123.1(3) . .
N1 C18 C19 C22 -0.4(5) . .
N1 C20 C21 C22 1.0(6) . .
C20 C21 C22 C19 2.7(5) . .
C20 C21 C22 C23 -175.8(3) . .
C18 C19 C22 C21 -3.0(5) . .
C18 C19 C22 C23 175.5(3) . .
C21 C22 C23 C26 175.3(3) . .
C19 C22 C23 C26 -3.1(5) . .
C21 C22 C23 C24 -3.7(5) . .
C19 C22 C23 C24 177.8(3) . .
C26 C23 C24 C25 -0.6(5) . .
C22 C23 C24 C25 178.6(3) . .
C23 C24 C25 N2 -0.4(5) . .
C24 C23 C26 C27 0.3(5) . .
C22 C23 C26 C27 -178.8(3) . .
C23 C26 C27 N2 1.0(5) . .
N3 C28 C29 C30 -0.1(8) . .
C28 C29 C30 C31 0.4(7) . .
C28 C29 C30 C30 178.7(4) . 3_567
C29 C30 C31 C32 -0.7(6) . .
C30 C30 C31 C32 -178.9(5) 3_567 .
C30 C31 C32 N3 0.6(8) . .
C21 C20 N1 C18 -4.4(5) . .
C21 C20 N1 Zn2 171.5(3) . .
C19 C18 N1 C20 4.0(5) . .
C19 C18 N1 Zn2 -171.9(3) . .
O8 Zn2 N1 C20 44.5(3) . .
O7 Zn2 N1 C20 132.6(2) . .
O3 Zn2 N1 C20 -137.9(2) 3_665 .
O1W Zn2 N1 C20 -48.1(2) . .
O4 Zn2 N1 C20 -125.9(3) 3_665 .
C8 Zn2 N1 C20 -133.2(2) 3_665 .
O8 Zn2 N1 C18 -139.8(2) . .
O7 Zn2 N1 C18 -51.7(2) . .
O3 Zn2 N1 C18 37.9(2) 3_665 .
O1W Zn2 N1 C18 127.6(2) . .
O4 Zn2 N1 C18 49.8(4) 3_665 .
C8 Zn2 N1 C18 42.5(3) 3_665 .
C26 C27 N2 C25 -1.9(5) . .
C26 C27 N2 Zn1 -179.1(3) . 2_545
C24 C25 N2 C27 1.7(5) . .
C24 C25 N2 Zn1 178.8(3) . 2_545
C29 C28 N3 C32 0.0(7) . .
C31 C32 N3 C28 -0.3(7) . .
O2 C1 O1 Zn1 -20.1(4) . 2_554
C2 C1 O1 Zn1 155.61(18) . 2_554
O4 C8 O3 Zn2 -3.8(3) . 3_665
C7 C8 O3 Zn2 178.8(2) . 3_665
O3 C8 O4 Zn2 3.4(3) . 3_665
C7 C8 O4 Zn2 -179.3(3) . 3_665
O7 C10 O6 Zn1 -7.2(4) . .
C11 C10 O6 Zn1 174.25(17) . .
O1 Zn1 O6 C10 -157.6(2) 2_544 .
O9 Zn1 O6 C10 -30.3(2) 3_655 .
N2 Zn1 O6 C10 82.1(2) 2 .
O6 C10 O7 Zn2 -155.5(2) . .
C11 C10 O7 Zn2 23.0(4) . .
O8 Zn2 O7 C10 -69.4(3) . .
N1 Zn2 O7 C10 -163.9(3) . .
O3 Zn2 O7 C10 98.2(3) 3_665 .
O4 Zn2 O7 C10 38.6(3) 3_665 .
C8 Zn2 O7 C10 68.0(3) 3_665 .
O9 C17 O8 Zn2 -150.8(2) . .
C16 C17 O8 Zn2 34.4(4) . .
N1 Zn2 O8 C17 121.8(3) . .
O7 Zn2 O8 C17 31.3(3) . .
O3 Zn2 O8 C17 -47.6(6) 3_665 .
O1W Zn2 O8 C17 -143.6(3) . .
O4 Zn2 O8 C17 -62.1(3) 3_665 .
C8 Zn2 O8 C17 -60.9(3) 3_665 .
O8 C17 O9 Zn1 12.9(4) . 3_655
C16 C17 O9 Zn1 -172.08(17) . 3_655
