#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/57/2225728.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2225728
loop_
_publ_author_name
'Necefoğlu, Hacali'
'Çimen, Efdal'
'Tercan, Barış'
'Dal, Hakan'
'Hökelek, Tuncer'
_publ_section_title
;
 Tetrakis(μ-4-methylbenzoato-κ²O:O')bis[(N,N-diethylnicotinamide-κN¹)zinc(II)]
;
_journal_coeditor_code           XU2740
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m485
_journal_page_last               m486
_journal_paper_doi               10.1107/S1600536810011517
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Zn2 (C8 H7 O2)4 (C10 H14 N2 O)2]'
_chemical_formula_moiety         'C52 H56 N4 O10 Zn2'
_chemical_formula_sum            'C52 H56 N4 O10 Zn2'
_chemical_formula_weight         1027.82
_chemical_name_systematic
;
Tetrakis(μ-4-methylbenzoato-κ²O:O')bis[(N,N-
diethylnicotinamide-κN¹)zinc(II)]
;
_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                97.346(3)
_cell_angle_beta                 93.525(3)
_cell_angle_gamma                106.342(5)
_cell_formula_units_Z            1
_cell_length_a                   9.8603(2)
_cell_length_b                   10.5272(2)
_cell_length_c                   12.3514(3)
_cell_measurement_reflns_used    9897
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.44
_cell_measurement_theta_min      2.43
_cell_volume                     1213.78(6)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material
'WinGX (Farrugia, 1999) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type
'Bruker Kappa APEXII CCD area-detector diffractometer'
_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  0.0243
_diffrn_reflns_av_sigmaI/netI    0.0215
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            22051
_diffrn_reflns_theta_full        28.48
_diffrn_reflns_theta_max         28.48
_diffrn_reflns_theta_min         1.67
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.051
_exptl_absorpt_correction_T_max  0.6982
_exptl_absorpt_correction_T_min  0.6492
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.406
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             536
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.34
_refine_diff_density_max         0.501
_refine_diff_density_min         -0.246
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     311
_refine_ls_number_reflns         6067
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0274
_refine_ls_R_factor_gt           0.0243
_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)+(0.0311P)²+0.5069P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0634
_refine_ls_wR_factor_ref         0.0648
_reflns_number_gt                5604
_reflns_number_total             6067
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            xu2740.cif
_cod_data_source_block           I
_cod_database_code               2225728
_cod_database_fobs_code          2225728
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn Zn1 0.450815(15) 0.115632(13) 0.040631(11) 0.01383(5) Uani d . 1 . .
O O1 0.73414(10) 0.02215(9) 0.02905(8) 0.01896(19) Uani d . 1 . .
O O2 0.65938(9) 0.19668(9) 0.09519(8) 0.01795(18) Uani d . 1 . .
O O3 0.49245(10) -0.10996(10) 0.12229(8) 0.0210(2) Uani d . 1 . .
O O4 0.41059(10) 0.05856(9) 0.18860(8) 0.01957(19) Uani d . 1 . .
O O5 0.30214(10) 0.44313(10) -0.27313(8) 0.0239(2) Uani d . 1 . .
N N1 0.37721(11) 0.27588(10) 0.02830(9) 0.0147(2) Uani d . 1 . .
N N2 0.08512(11) 0.30568(11) -0.25343(9) 0.0175(2) Uani d . 1 . .
C C1 0.75162(13) 0.13428(12) 0.08691(10) 0.0154(2) Uani d . 1 . .
C C2 0.89284(13) 0.19728(12) 0.15322(10) 0.0158(2) Uani d . 1 . .
C C3 0.92011(14) 0.31934(13) 0.22226(11) 0.0184(2) Uani d . 1 . .
H H3 0.8532 0.3665 0.2228 0.022 Uiso calc R 1 . .
C C4 1.04631(14) 0.37058(13) 0.29001(12) 0.0212(3) Uani d . 1 . .
H H4 1.0628 0.4518 0.3359 0.025 Uiso calc R 1 . .
C C5 1.14912(14) 0.30273(14) 0.29080(11) 0.0205(3) Uani d . 1 . .
C C6 1.12308(14) 0.18255(14) 0.21929(12) 0.0210(3) Uani d . 1 . .
H H6 1.1913 0.1369 0.2171 0.025 Uiso calc R 1 . .
C C7 0.99677(14) 0.13047(13) 0.15144(11) 0.0193(3) Uani d . 1 . .
H H7 0.9812 0.0503 0.1043 0.023 Uiso calc R 1 . .
C C8 1.28449(15) 0.35768(16) 0.36690(13) 0.0282(3) Uani d . 1 . .
H H8A 1.3353 0.2920 0.3650 0.042 Uiso calc R 1 . .
H H8B 1.2620 0.3787 0.4403 0.042 Uiso calc R 1 . .
H H8C 1.3424 0.4373 0.3439 0.042 Uiso calc R 1 . .
C C9 0.44426(13) -0.04751(13) 0.19693(10) 0.0165(2) Uani d . 1 . .
C C10 0.42490(13) -0.10307(12) 0.30249(10) 0.0162(2) Uani d . 1 . .
C C11 0.34787(14) -0.05492(13) 0.38074(11) 0.0189(2) Uani d . 1 . .
H H11 0.3120 0.0156 0.3692 0.023 Uiso calc R 1 . .
C C12 0.32480(14) -0.11202(15) 0.47572(11) 0.0224(3) Uani d . 1 . .
H H12 0.2727 -0.0796 0.5270 0.027 Uiso calc R 1 . .
C C13 0.37825(15) -0.21695(14) 0.49557(11) 0.0235(3) Uani d . 1 . .
C C14 0.45906(15) -0.26154(14) 0.41892(11) 0.0219(3) Uani d . 1 . .
H H14 0.4984 -0.3294 0.4320 0.026 Uiso calc R 1 . .
C C15 0.48161(14) -0.20583(13) 0.32319(11) 0.0189(2) Uani d . 1 . .
H H15 0.5350 -0.2373 0.2725 0.023 Uiso calc R 1 . .
C C16 0.34955(19) -0.28015(19) 0.59785(13) 0.0360(4) Uani d . 1 . .
H H16A 0.3701 -0.3646 0.5892 0.054 Uiso calc R 1 . .
H H16B 0.2515 -0.2941 0.6100 0.054 Uiso calc R 1 . .
H H16C 0.4088 -0.2220 0.6596 0.054 Uiso calc R 1 . .
C C17 0.40194(13) 0.38549(13) 0.10388(10) 0.0160(2) Uani d . 1 . .
H H17 0.4491 0.3876 0.1719 0.019 Uiso calc R 1 . .
C C18 0.35931(13) 0.49579(13) 0.08359(11) 0.0181(2) Uani d . 1 . .
H H18 0.3738 0.5689 0.1384 0.022 Uiso calc R 1 . .
C C19 0.29485(13) 0.49579(12) -0.01931(11) 0.0173(2) Uani d . 1 . .
H H19 0.2696 0.5704 -0.0357 0.021 Uiso calc R 1 . .
C C20 0.26868(12) 0.38185(12) -0.09764(10) 0.0152(2) Uani d . 1 . .
C C21 0.30915(13) 0.27380(12) -0.06968(10) 0.0151(2) Uani d . 1 . .
H H21 0.2883 0.1964 -0.1209 0.018 Uiso calc R 1 . .
C C22 0.21826(13) 0.37980(12) -0.21572(11) 0.0162(2) Uani d . 1 . .
C C23 -0.01970(14) 0.23617(13) -0.18488(11) 0.0199(3) Uani d . 1 . .
H H23A 0.0297 0.2137 -0.1231 0.024 Uiso calc R 1 . .
H H23B -0.0793 0.1532 -0.2275 0.024 Uiso calc R 1 . .
C C24 -0.11255(15) 0.32037(15) -0.14258(13) 0.0270(3) Uani d . 1 . .
H H24A -0.1828 0.2694 -0.1020 0.041 Uiso calc R 1 . .
H H24B -0.1588 0.3458 -0.2034 0.041 Uiso calc R 1 . .
H H24C -0.0549 0.3993 -0.0955 0.041 Uiso calc R 1 . .
C C25 0.03872(15) 0.29558(14) -0.37030(11) 0.0218(3) Uani d . 1 . .
H H25A 0.0906 0.3760 -0.3974 0.026 Uiso calc R 1 . .
H H25B -0.0615 0.2891 -0.3790 0.026 Uiso calc R 1 . .
C C26 0.06320(19) 0.17447(16) -0.43724(13) 0.0321(3) Uani d . 1 . .
H H26A 0.0298 0.1694 -0.5128 0.048 Uiso calc R 1 . .
H H26B 0.0124 0.0948 -0.4102 0.048 Uiso calc R 1 . .
H H26C 0.1629 0.1824 -0.4311 0.048 Uiso calc R 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 '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 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2840 1.4300 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 Zn1 O3 2_655 2_655 84.43(4) ?
O2 Zn1 O1 . 2_655 159.97(4) ?
O2 Zn1 O3 . 2_655 88.67(4) ?
O2 Zn1 N1 . . 104.57(4) ?
O4 Zn1 O1 . 2_655 89.88(4) ?
O4 Zn1 O2 . . 90.22(4) ?
O4 Zn1 O3 . 2_655 159.93(4) ?
O4 Zn1 N1 . . 107.92(4) ?
N1 Zn1 O1 . 2_655 94.43(4) ?
N1 Zn1 O3 . 2_655 91.72(4) ?
C1 O1 Zn1 . 2_655 128.83(8) ?
C1 O2 Zn1 . . 124.35(8) ?
C9 O3 Zn1 . 2_655 145.07(9) ?
C9 O4 Zn1 . . 110.41(8) ?
C17 N1 Zn1 . . 126.21(9) ?
C21 N1 Zn1 . . 114.90(8) ?
C21 N1 C17 . . 118.59(11) ?
C22 N2 C23 . . 124.41(11) ?
C22 N2 C25 . . 118.33(11) ?
C25 N2 C23 . . 117.24(11) ?
O1 C1 O2 . . 125.48(12) ?
O1 C1 C2 . . 117.03(11) ?
O2 C1 C2 . . 117.47(11) ?
C3 C2 C1 . . 120.98(11) ?
C3 C2 C7 . . 118.75(12) ?
C7 C2 C1 . . 120.17(11) ?
C2 C3 H3 . . 119.9 ?
C4 C3 C2 . . 120.29(12) ?
C4 C3 H3 . . 119.9 ?
C3 C4 C5 . . 121.29(12) ?
C3 C4 H4 . . 119.4 ?
C5 C4 H4 . . 119.4 ?
C4 C5 C6 . . 118.19(12) ?
C4 C5 C8 . . 120.84(13) ?
C6 C5 C8 . . 120.97(13) ?
C5 C6 H6 . . 119.6 ?
C7 C6 C5 . . 120.82(12) ?
C7 C6 H6 . . 119.6 ?
C2 C7 H7 . . 119.7 ?
C6 C7 C2 . . 120.62(12) ?
C6 C7 H7 . . 119.7 ?
C5 C8 H8A . . 109.5 ?
C5 C8 H8B . . 109.5 ?
C5 C8 H8C . . 109.5 ?
H8A C8 H8B . . 109.5 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?
O3 C9 O4 . . 124.45(12) ?
O3 C9 C10 . . 117.63(11) ?
O4 C9 C10 . . 117.92(11) ?
C11 C10 C9 . . 120.82(12) ?
C15 C10 C9 . . 120.25(12) ?
C15 C10 C11 . . 118.92(12) ?
C10 C11 H11 . . 119.9 ?
C12 C11 C10 . . 120.13(13) ?
C12 C11 H11 . . 119.9 ?
C11 C12 C13 . . 121.17(13) ?
C11 C12 H12 . . 119.4 ?
C13 C12 H12 . . 119.4 ?
C12 C13 C14 . . 118.42(13) ?
C12 C13 C16 . . 120.61(14) ?
C14 C13 C16 . . 120.97(14) ?
C13 C14 H14 . . 119.6 ?
C15 C14 C13 . . 120.78(13) ?
C15 C14 H14 . . 119.6 ?
C10 C15 H15 . . 119.7 ?
C14 C15 C10 . . 120.52(13) ?
C14 C15 H15 . . 119.7 ?
C13 C16 H16A . . 109.5 ?
C13 C16 H16B . . 109.5 ?
C13 C16 H16C . . 109.5 ?
H16A C16 H16B . . 109.5 ?
H16A C16 H16C . . 109.5 ?
H16B C16 H16C . . 109.5 ?
N1 C17 C18 . . 122.00(12) ?
N1 C17 H17 . . 119.0 ?
C18 C17 H17 . . 119.0 ?
C17 C18 H18 . . 120.4 ?
C19 C18 C17 . . 119.26(12) ?
C19 C18 H18 . . 120.4 ?
C18 C19 C20 . . 118.68(12) ?
C18 C19 H19 . . 120.7 ?
C20 C19 H19 . . 120.7 ?
C19 C20 C22 . . 122.14(11) ?
C21 C20 C19 . . 118.57(12) ?
C21 C20 C22 . . 118.65(11) ?
N1 C21 C20 . . 122.78(11) ?
N1 C21 H21 . . 118.6 ?
C20 C21 H21 . . 118.6 ?
O5 C22 N2 . . 123.51(12) ?
O5 C22 C20 . . 118.39(11) ?
N2 C22 C20 . . 118.08(11) ?
N2 C23 C24 . . 112.25(11) ?
N2 C23 H23A . . 109.2 ?
N2 C23 H23B . . 109.2 ?
C24 C23 H23A . . 109.2 ?
C24 C23 H23B . . 109.2 ?
H23A C23 H23B . . 107.9 ?
C23 C24 H24A . . 109.5 ?
C23 C24 H24B . . 109.5 ?
C23 C24 H24C . . 109.5 ?
H24A C24 H24B . . 109.5 ?
H24A C24 H24C . . 109.5 ?
H24B C24 H24C . . 109.5 ?
N2 C25 C26 . . 111.44(12) ?
N2 C25 H25A . . 109.3 ?
N2 C25 H25B . . 109.3 ?
C26 C25 H25A . . 109.3 ?
C26 C25 H25B . . 109.3 ?
H25A C25 H25B . . 108.0 ?
C25 C26 H26A . . 109.5 ?
C25 C26 H26B . . 109.5 ?
C25 C26 H26C . . 109.5 ?
H26A C26 H26B . . 109.5 ?
H26A C26 H26C . . 109.5 ?
H26B C26 H26C . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Zn1 Zn1 2_655 2.9494(3) ?
Zn1 O1 2_655 2.0420(9) yes
Zn1 O2 . 2.0264(9) yes
Zn1 O3 2_655 2.1196(9) yes
Zn1 O4 . 2.0235(9) yes
Zn1 N1 . 2.0340(10) yes
O1 Zn1 2_655 2.0420(9) ?
O1 C1 . 1.2604(15) ?
O2 C1 . 1.2648(15) ?
O3 Zn1 2_655 2.1196(9) ?
O3 C9 . 1.2580(16) ?
O4 C9 . 1.2654(16) ?
O5 C22 . 1.2305(16) ?
N1 C17 . 1.3419(16) ?
N1 C21 . 1.3418(16) ?
N2 C22 . 1.3433(16) ?
N2 C23 . 1.4700(17) ?
N2 C25 . 1.4685(17) ?
C1 C2 . 1.5002(17) ?
C2 C7 . 1.3963(18) ?
C3 C2 . 1.3957(18) ?
C3 C4 . 1.3851(19) ?
C3 H3 . 0.9300 ?
C4 H4 . 0.9300 ?
C5 C4 . 1.3950(19) ?
C5 C6 . 1.3965(19) ?
C5 C8 . 1.5073(19) ?
C6 H6 . 0.9300 ?
C7 C6 . 1.3870(19) ?
C7 H7 . 0.9300 ?
C8 H8A . 0.9600 ?
C8 H8B . 0.9600 ?
C8 H8C . 0.9600 ?
C9 C10 . 1.4971(18) ?
C10 C11 . 1.3963(18) ?
C10 C15 . 1.3934(18) ?
C11 H11 . 0.9300 ?
C12 C11 . 1.3876(19) ?
C12 C13 . 1.393(2) ?
C12 H12 . 0.9300 ?
C13 C14 . 1.393(2) ?
C13 C16 . 1.507(2) ?
C14 C15 . 1.3884(19) ?
C14 H14 . 0.9300 ?
C15 H15 . 0.9300 ?
C16 H16A . 0.9600 ?
C16 H16B . 0.9600 ?
C16 H16C . 0.9600 ?
C17 C18 . 1.3871(18) ?
C17 H17 . 0.9300 ?
C18 H18 . 0.9300 ?
C19 C18 . 1.3857(19) ?
C19 H19 . 0.9300 ?
C20 C19 . 1.3927(17) ?
C20 C21 . 1.3824(17) ?
C20 C22 . 1.5071(18) ?
C21 H21 . 0.9300 ?
C23 C24 . 1.5146(19) ?
C23 H23A . 0.9700 ?
C23 H23B . 0.9700 ?
C24 H24A . 0.9600 ?
C24 H24B . 0.9600 ?
C24 H24C . 0.9600 ?
C25 C26 . 1.515(2) ?
C25 H25A . 0.9700 ?
C25 H25B . 0.9700 ?
C26 H26A . 0.9600 ?
C26 H26B . 0.9600 ?
C26 H26C . 0.9600 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C6 H6 O4 1_655 0.93 2.55 3.4601(18) 166.00 yes
C16 H16C O4 2_656 0.96 2.59 3.542(2) 174.00 yes
C19 H19 O2 2_665 0.93 2.57 3.4013(15) 149.00 yes
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O1 Zn1 O2 C1 2_655 . . . 0.43(18) ?
O3 Zn1 O2 C1 2_655 . . . -69.26(10) ?
O4 Zn1 O2 C1 . . . . 90.70(10) ?
N1 Zn1 O2 C1 . . . . -160.69(10) ?
O1 Zn1 O4 C9 2_655 . . . 80.22(9) ?
O2 Zn1 O4 C9 . . . . -79.75(9) ?
O3 Zn1 O4 C9 2_655 . . . 6.98(16) ?
N1 Zn1 O4 C9 . . . . 174.84(8) ?
O1 Zn1 N1 C17 2_655 . . . 139.95(10) ?
O1 Zn1 N1 C21 2_655 . . . -46.58(9) ?
O2 Zn1 N1 C17 . . . . -46.43(11) ?
O2 Zn1 N1 C21 . . . . 127.04(9) ?
O3 Zn1 N1 C17 2_655 . . . -135.50(10) ?
O3 Zn1 N1 C21 2_655 . . . 37.97(9) ?
O4 Zn1 N1 C17 . . . . 48.64(11) ?
O4 Zn1 N1 C21 . . . . -137.89(8) ?
Zn1 O1 C1 O2 2_655 . . . -15.50(19) ?
Zn1 O1 C1 C2 2_655 . . . 163.13(8) ?
Zn1 O2 C1 O1 . . . . 12.25(18) ?
Zn1 O2 C1 C2 . . . . -166.37(8) ?
Zn1 O3 C9 O4 2_655 . . . -1.2(2) ?
Zn1 O3 C9 C10 2_655 . . . 178.47(10) ?
Zn1 O4 C9 O3 . . . . -1.70(16) ?
Zn1 O4 C9 C10 . . . . 178.62(8) ?
Zn1 N1 C17 C18 . . . . 173.27(9) ?
C21 N1 C17 C18 . . . . 0.02(18) ?
Zn1 N1 C21 C20 . . . . -171.23(9) ?
C17 N1 C21 C20 . . . . 2.77(18) ?
C23 N2 C22 O5 . . . . -175.96(12) ?
C23 N2 C22 C20 . . . . 5.98(18) ?
C25 N2 C22 O5 . . . . 2.33(19) ?
C25 N2 C22 C20 . . . . -175.72(11) ?
C22 N2 C23 C24 . . . . 92.91(15) ?
C25 N2 C23 C24 . . . . -85.40(14) ?
C22 N2 C25 C26 . . . . 92.54(15) ?
C23 N2 C25 C26 . . . . -89.04(15) ?
O1 C1 C2 C3 . . . . -178.00(12) ?
O1 C1 C2 C7 . . . . -1.65(18) ?
O2 C1 C2 C3 . . . . 0.75(18) ?
O2 C1 C2 C7 . . . . 177.09(12) ?
C1 C2 C7 C6 . . . . -174.62(12) ?
C3 C2 C7 C6 . . . . 1.8(2) ?
C4 C3 C2 C1 . . . . 174.42(12) ?
C4 C3 C2 C7 . . . . -2.0(2) ?
C2 C3 C4 C5 . . . . 0.3(2) ?
C6 C5 C4 C3 . . . . 1.5(2) ?
C8 C5 C4 C3 . . . . -178.45(13) ?
C4 C5 C6 C7 . . . . -1.6(2) ?
C8 C5 C6 C7 . . . . 178.28(13) ?
C2 C7 C6 C5 . . . . 0.0(2) ?
O3 C9 C10 C11 . . . . -167.82(12) ?
O3 C9 C10 C15 . . . . 10.99(18) ?
O4 C9 C10 C11 . . . . 11.89(18) ?
O4 C9 C10 C15 . . . . -169.31(12) ?
C9 C10 C11 C12 . . . . 176.76(11) ?
C15 C10 C11 C12 . . . . -2.06(19) ?
C9 C10 C15 C14 . . . . -177.34(12) ?
C11 C10 C15 C14 . . . . 1.49(19) ?
C13 C12 C11 C10 . . . . 0.5(2) ?
C11 C12 C13 C14 . . . . 1.6(2) ?
C11 C12 C13 C16 . . . . -178.59(13) ?
C12 C13 C14 C15 . . . . -2.2(2) ?
C16 C13 C14 C15 . . . . 178.01(13) ?
C13 C14 C15 C10 . . . . 0.7(2) ?
N1 C17 C18 C19 . . . . -2.94(19) ?
C20 C19 C18 C17 . . . . 3.09(19) ?
C21 C20 C19 C18 . . . . -0.49(18) ?
C22 C20 C19 C18 . . . . -171.23(11) ?
C19 C20 C22 O5 . . . . 70.73(16) ?
C19 C20 C22 N2 . . . . -111.12(14) ?
C21 C20 C22 O5 . . . . -100.01(14) ?
C21 C20 C22 N2 . . . . 78.14(15) ?
C19 C20 C21 N1 . . . . -2.52(18) ?
C22 C20 C21 N1 . . . . 168.55(11) ?
