#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:23:36 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180336 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/05/7200533.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_7200533
loop_
_publ_author_name
'Karmakar, Anirban'
'Baruah, Jubaraj B.'
'Boomi Shankar, R.'
_publ_section_title
;
 Zinc(II) and cobalt(II) complexes of
 (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study
;
_journal_issue                   5
_journal_name_full               CrystEngComm
_journal_page_first              832
_journal_paper_doi               10.1039/b817416d
_journal_volume                  11
_journal_year                    2009
_chemical_formula_sum            'C26 H29 N7 O7 Zn'
_chemical_formula_weight         616.93
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 115.724(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.3548(3)
_cell_length_b                   18.3574(6)
_cell_length_c                   18.7369(6)
_cell_measurement_reflns_used    7620
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.34
_cell_measurement_theta_min      2.45
_cell_volume                     2898.80(17)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.950
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0288
_diffrn_reflns_av_sigmaI/netI    0.0262
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            24225
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    0.903
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.414
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocks
_exptl_crystal_F_000             1280
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.993
_refine_diff_density_min         -0.340
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         4849
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0600
_refine_ls_R_factor_gt           0.0442
_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)+(0.0669P)²+2.4607P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1193
_refine_ls_wR_factor_ref         0.1303
_reflns_number_gt                3794
_reflns_number_total             4849
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b817416d.txt
_cod_data_source_block           zndicarboxy2_0m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2898.80(16)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7200533
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 1.03195(4) 0.18696(2) 0.52226(2) 0.04327(16) Uani 1 1 d . . .
C1 C 0.9191(4) 0.19393(17) 0.3288(2) 0.0411(8) Uani 1 1 d . . .
C2 C 0.7894(4) 0.22907(19) 0.2560(2) 0.0467(8) Uani 1 1 d . . .
H2A H 0.8310 0.2730 0.2432 0.056 Uiso 1 1 calc R . .
H2B H 0.7598 0.1960 0.2114 0.056 Uiso 1 1 calc R . .
C3 C 0.5551(4) 0.18936(17) 0.2628(2) 0.0415(8) Uani 1 1 d . . .
C4 C 0.5819(4) 0.11814(18) 0.2530(2) 0.0484(8) Uani 1 1 d . . .
H4 H 0.6720 0.1054 0.2467 0.058 Uiso 1 1 calc R . .
C5 C 0.4757(4) 0.06288(17) 0.25206(19) 0.0467(8) Uani 1 1 d . . .
C6 C 0.5015(5) -0.01208(19) 0.2438(2) 0.0590(10) Uani 1 1 d . . .
H6 H 0.5910 -0.0264 0.2378 0.071 Uiso 1 1 calc R . .
C7 C 0.3978(6) -0.0630(2) 0.2446(2) 0.0696(12) Uani 1 1 d . . .
H7 H 0.4173 -0.1120 0.2397 0.084 Uiso 1 1 calc R . .
C8 C 0.2634(6) -0.0431(2) 0.2528(3) 0.0694(12) Uani 1 1 d . . .
H8 H 0.1941 -0.0789 0.2539 0.083 Uiso 1 1 calc R . .
C9 C 0.2310(5) 0.0286(2) 0.2592(2) 0.0571(9) Uani 1 1 d . . .
H9 H 0.1386 0.0411 0.2634 0.068 Uiso 1 1 calc R . .
C10 C 0.3359(4) 0.08355(17) 0.25961(19) 0.0446(8) Uani 1 1 d . . .
C11 C 0.3093(4) 0.15836(18) 0.26793(19) 0.0439(8) Uani 1 1 d . . .
H11 H 0.2167 0.1724 0.2712 0.053 Uiso 1 1 calc R . .
C12 C 0.4157(4) 0.21012(16) 0.27129(19) 0.0404(7) Uani 1 1 d . . .
C13 C 0.2643(4) 0.31046(17) 0.2851(2) 0.0441(8) Uani 1 1 d . . .
H13A H 0.2885 0.3560 0.3143 0.053 Uiso 1 1 calc R . .
H13B H 0.2298 0.2761 0.3138 0.053 Uiso 1 1 calc R . .
C14 C 0.1288(4) 0.32321(16) 0.2044(2) 0.0420(8) Uani 1 1 d . . .
C17 C 0.6936(5) 0.3521(2) 0.4681(3) 0.0754(13) Uani 1 1 d . . .
H17 H 0.6059 0.3765 0.4308 0.090 Uiso 1 1 calc R . .
C16 C 0.7658(6) 0.3651(2) 0.5475(3) 0.0790(13) Uani 1 1 d . . .
H16 H 0.7374 0.3996 0.5754 0.095 Uiso 1 1 calc R . .
C15 C 0.8897(5) 0.3165(2) 0.5777(2) 0.0632(11) Uani 1 1 d . . .
H15 H 0.9604 0.3130 0.6310 0.076 Uiso 1 1 calc R . .
C18 C 0.7514(5) 0.0213(2) 0.5406(3) 0.0746(13) Uani 1 1 d . . .
H18 H 0.7055 -0.0022 0.5695 0.089 Uiso 1 1 calc R . .
C19 C 0.7245(5) 0.0058(2) 0.4651(3) 0.0725(13) Uani 1 1 d . . .
H19 H 0.6580 -0.0299 0.4322 0.087 Uiso 1 1 calc R . .
C20 C 0.8169(5) 0.0543(2) 0.4479(2) 0.0649(11) Uani 1 1 d . . .
H20 H 0.8224 0.0568 0.3996 0.078 Uiso 1 1 calc R . .
C21 C 1.4336(5) 0.1728(3) 0.4804(2) 0.0668(11) Uani 1 1 d . . .
H21 H 1.4808 0.1646 0.4464 0.080 Uiso 1 1 calc R . .
C22 C 1.5104(5) 0.1869(3) 0.5587(3) 0.0730(13) Uani 1 1 d . . .
H22 H 1.6194 0.1901 0.5894 0.088 Uiso 1 1 calc R . .
C23 C 1.3923(4) 0.1956(2) 0.5837(2) 0.0568(10) Uani 1 1 d . . .
H23 H 1.4097 0.2060 0.6354 0.068 Uiso 1 1 calc R . .
C24 C 0.0760(10) 0.4006(6) 0.4184(5) 0.218(5) Uani 1 1 d . . .
H24A H 0.0625 0.4193 0.3680 0.327 Uiso 1 1 calc R . .
H24B H -0.0063 0.4194 0.4308 0.327 Uiso 1 1 calc R . .
H24C H 0.0702 0.3484 0.4161 0.327 Uiso 1 1 calc R . .
C25 C 0.2304(16) 0.4086(7) 0.5559(5) 0.280(8) Uani 1 1 d . . .
H25A H 0.3337 0.4228 0.5948 0.419 Uiso 1 1 calc R . .
H25B H 0.2137 0.3579 0.5622 0.419 Uiso 1 1 calc R . .
H25C H 0.1511 0.4370 0.5629 0.419 Uiso 1 1 calc R . .
C26 C 0.3440(10) 0.4426(5) 0.4722(8) 0.186(5) Uani 1 1 d . . .
H26 H 0.4384 0.4465 0.5181 0.223 Uiso 1 1 calc R . .
N1 N 0.8948(3) 0.27507(15) 0.52074(17) 0.0495(7) Uani 1 1 d . . .
N2 N 0.7726(4) 0.29811(17) 0.45425(19) 0.0589(8) Uani 1 1 d . . .
H2N H 0.7483 0.2800 0.4081 0.071 Uiso 1 1 calc R . .
N3 N 0.8976(3) 0.09721(15) 0.50966(17) 0.0490(7) Uani 1 1 d . . .
N4 N 0.8544(4) 0.07570(17) 0.5661(2) 0.0565(8) Uani 1 1 d . . .
N5 N 1.2503(3) 0.18681(14) 0.52326(16) 0.0444(7) Uani 1 1 d . . .
N6 N 1.2790(4) 0.17277(17) 0.4603(2) 0.0508(8) Uani 1 1 d . . .
N7 N 0.2188(6) 0.4214(3) 0.4749(3) 0.0996(14) Uani 1 1 d . . .
O1 O 0.9140(3) 0.20377(14) 0.39351(14) 0.0510(6) Uani 1 1 d . . .
O2 O 1.0225(3) 0.16006(16) 0.31813(15) 0.0624(7) Uani 1 1 d . . .
O3 O 0.6511(2) 0.24710(11) 0.26636(14) 0.0444(5) Uani 1 1 d . . .
O4 O 0.4060(3) 0.28339(11) 0.28361(13) 0.0433(5) Uani 1 1 d . . .
O5 O 0.0060(3) 0.34896(15) 0.20403(16) 0.0639(7) Uani 1 1 d . . .
O6 O 0.1515(3) 0.30866(13) 0.14472(14) 0.0529(6) Uani 1 1 d . . .
O7 O 0.3378(8) 0.4592(3) 0.4021(3) 0.152(2) Uani 1 1 d . . .
H4N H 0.906(5) 0.096(2) 0.618(3) 0.088(15) Uiso 1 1 d . . .
H6N H 1.206(5) 0.168(2) 0.416(3) 0.066(13) 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
_geom_angle_publ_flag
N3 Zn1 N5 124.79(11) . . ?
N3 Zn1 N1 106.64(12) . . ?
N5 Zn1 N1 128.23(11) . . ?
N3 Zn1 O6 99.80(10) . 4_666 ?
N5 Zn1 O6 86.13(10) . 4_666 ?
N1 Zn1 O6 91.06(11) . 4_666 ?
N3 Zn1 O1 89.76(11) . . ?
N5 Zn1 O1 91.95(10) . . ?
N1 Zn1 O1 82.03(10) . . ?
O6 Zn1 O1 169.52(10) 4_666 . ?
O2 C1 O1 126.3(3) . . ?
O2 C1 C2 116.4(3) . . ?
O1 C1 C2 117.3(3) . . ?
O3 C2 C1 113.2(3) . . ?
O3 C2 H2A 108.9 . . ?
C1 C2 H2A 108.9 . . ?
O3 C2 H2B 108.9 . . ?
C1 C2 H2B 108.9 . . ?
H2A C2 H2B 107.8 . . ?
C4 C3 O3 126.5(3) . . ?
C4 C3 C12 120.1(3) . . ?
O3 C3 C12 113.4(3) . . ?
C3 C4 C5 121.5(3) . . ?
C3 C4 H4 119.3 . . ?
C5 C4 H4 119.3 . . ?
C4 C5 C6 123.1(3) . . ?
C4 C5 C10 118.5(3) . . ?
C6 C5 C10 118.4(3) . . ?
C7 C6 C5 120.9(4) . . ?
C7 C6 H6 119.5 . . ?
C5 C6 H6 119.5 . . ?
C6 C7 C8 120.7(4) . . ?
C6 C7 H7 119.7 . . ?
C8 C7 H7 119.7 . . ?
C9 C8 C7 120.8(4) . . ?
C9 C8 H8 119.6 . . ?
C7 C8 H8 119.6 . . ?
C8 C9 C10 120.7(4) . . ?
C8 C9 H9 119.7 . . ?
C10 C9 H9 119.7 . . ?
C9 C10 C11 122.8(3) . . ?
C9 C10 C5 118.5(3) . . ?
C11 C10 C5 118.8(3) . . ?
C12 C11 C10 121.6(3) . . ?
C12 C11 H11 119.2 . . ?
C10 C11 H11 119.2 . . ?
C11 C12 O4 126.3(3) . . ?
C11 C12 C3 119.6(3) . . ?
O4 C12 C3 114.1(3) . . ?
O4 C13 C14 114.6(3) . . ?
O4 C13 H13A 108.6 . . ?
C14 C13 H13A 108.6 . . ?
O4 C13 H13B 108.6 . . ?
C14 C13 H13B 108.6 . . ?
H13A C13 H13B 107.6 . . ?
O5 C14 O6 126.2(3) . . ?
O5 C14 C13 116.0(3) . . ?
O6 C14 C13 117.8(3) . . ?
N2 C17 C16 106.9(4) . . ?
N2 C17 H17 126.6 . . ?
C16 C17 H17 126.6 . . ?
C17 C16 C15 105.4(4) . . ?
C17 C16 H16 127.3 . . ?
C15 C16 H16 127.3 . . ?
N1 C15 C16 111.0(4) . . ?
N1 C15 H15 124.5 . . ?
C16 C15 H15 124.5 . . ?
N4 C18 C19 108.2(4) . . ?
N4 C18 H18 125.9 . . ?
C19 C18 H18 125.9 . . ?
C18 C19 C20 105.0(4) . . ?
C18 C19 H19 127.5 . . ?
C20 C19 H19 127.5 . . ?
N3 C20 C19 110.9(4) . . ?
N3 C20 H20 124.6 . . ?
C19 C20 H20 124.6 . . ?
N6 C21 C22 107.9(4) . . ?
N6 C21 H21 126.0 . . ?
C22 C21 H21 126.0 . . ?
C21 C22 C23 105.3(3) . . ?
C21 C22 H22 127.4 . . ?
C23 C22 H22 127.4 . . ?
N5 C23 C22 110.4(4) . . ?
N5 C23 H23 124.8 . . ?
C22 C23 H23 124.8 . . ?
N7 C24 H24A 109.5 . . ?
N7 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
N7 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N7 C25 H25A 109.5 . . ?
N7 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
N7 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N7 C26 O7 118.1(9) . . ?
N7 C26 H26 121.0 . . ?
O7 C26 H26 121.0 . . ?
C15 N1 N2 104.6(3) . . ?
C15 N1 Zn1 132.7(3) . . ?
N2 N1 Zn1 122.4(2) . . ?
C17 N2 N1 112.1(3) . . ?
C17 N2 H2N 124.0 . . ?
N1 N2 H2N 124.0 . . ?
C20 N3 N4 105.0(3) . . ?
C20 N3 Zn1 132.3(3) . . ?
N4 N3 Zn1 122.1(2) . . ?
C18 N4 N3 110.9(3) . . ?
C18 N4 H4N 128(3) . . ?
N3 N4 H4N 120(3) . . ?
C23 N5 N6 105.3(3) . . ?
C23 N5 Zn1 129.5(3) . . ?
N6 N5 Zn1 125.1(2) . . ?
C21 N6 N5 111.1(3) . . ?
C21 N6 H6N 127(3) . . ?
N5 N6 H6N 121(3) . . ?
C26 N7 C24 132.7(9) . . ?
C26 N7 C25 115.6(8) . . ?
C24 N7 C25 111.3(7) . . ?
C1 O1 Zn1 146.6(2) . . ?
C3 O3 C2 115.3(2) . . ?
C12 O4 C13 118.3(2) . . ?
C14 O6 Zn1 139.5(2) . 4_465 ?
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 N3 2.023(3) . ?
Zn1 N5 2.035(3) . ?
Zn1 N1 2.057(3) . ?
Zn1 O6 2.072(2) 4_666 ?
Zn1 O1 2.196(2) . ?
C1 O2 1.237(4) . ?
C1 O1 1.248(4) . ?
C1 C2 1.521(5) . ?
C2 O3 1.429(4) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.359(4) . ?
C3 O3 1.372(4) . ?
C3 C12 1.432(5) . ?
C4 C5 1.415(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.417(5) . ?
C5 C10 1.427(5) . ?
C6 C7 1.352(6) . ?
C6 H6 0.9300 . ?
C7 C8 1.380(6) . ?
C7 H7 0.9300 . ?
C8 C9 1.367(6) . ?
C8 H8 0.9300 . ?
C9 C10 1.405(5) . ?
C9 H9 0.9300 . ?
C10 C11 1.416(4) . ?
C11 C12 1.358(5) . ?
C11 H11 0.9300 . ?
C12 O4 1.374(4) . ?
C13 O4 1.428(4) . ?
C13 C14 1.511(5) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 O5 1.239(4) . ?
C14 O6 1.255(4) . ?
C17 N2 1.328(5) . ?
C17 C16 1.362(6) . ?
C17 H17 0.9300 . ?
C16 C15 1.375(6) . ?
C16 H16 0.9300 . ?
C15 N1 1.328(5) . ?
C15 H15 0.9300 . ?
C18 N4 1.324(5) . ?
C18 C19 1.354(6) . ?
C18 H18 0.9300 . ?
C19 C20 1.373(6) . ?
C19 H19 0.9300 . ?
C20 N3 1.331(4) . ?
C20 H20 0.9300 . ?
C21 N6 1.327(5) . ?
C21 C22 1.350(6) . ?
C21 H21 0.9300 . ?
C22 C23 1.383(6) . ?
C22 H22 0.9300 . ?
C23 N5 1.329(4) . ?
C23 H23 0.9300 . ?
C24 N7 1.350(8) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 N7 1.494(10) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 N7 1.256(10) . ?
C26 O7 1.324(13) . ?
C26 H26 0.9300 . ?
N1 N2 1.342(4) . ?
N2 H2N 0.8600 . ?
N3 N4 1.345(4) . ?
N4 H4N 0.96(5) . ?
N5 N6 1.343(4) . ?
N6 H6N 0.82(4) . ?
O6 Zn1 2.072(2) 4_465 ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O2 C1 C2 O3 161.7(3) . . . . ?
O1 C1 C2 O3 -20.5(4) . . . . ?
O3 C3 C4 C5 178.5(3) . . . . ?
C12 C3 C4 C5 -1.0(5) . . . . ?
C3 C4 C5 C6 -178.5(3) . . . . ?
C3 C4 C5 C10 1.6(5) . . . . ?
C4 C5 C6 C7 178.9(4) . . . . ?
C10 C5 C6 C7 -1.3(5) . . . . ?
C5 C6 C7 C8 0.6(6) . . . . ?
C6 C7 C8 C9 0.8(7) . . . . ?
C7 C8 C9 C10 -1.5(6) . . . . ?
C8 C9 C10 C11 -178.5(4) . . . . ?
C8 C9 C10 C5 0.8(5) . . . . ?
C4 C5 C10 C9 -179.6(3) . . . . ?
C6 C5 C10 C9 0.5(5) . . . . ?
C4 C5 C10 C11 -0.2(5) . . . . ?
C6 C5 C10 C11 179.9(3) . . . . ?
C9 C10 C11 C12 177.3(3) . . . . ?
C5 C10 C11 C12 -2.1(5) . . . . ?
C10 C11 C12 O4 -176.2(3) . . . . ?
C10 C11 C12 C3 2.8(5) . . . . ?
C4 C3 C12 C11 -1.3(5) . . . . ?
O3 C3 C12 C11 179.2(3) . . . . ?
C4 C3 C12 O4 177.8(3) . . . . ?
O3 C3 C12 O4 -1.7(4) . . . . ?
O4 C13 C14 O5 -177.7(3) . . . . ?
O4 C13 C14 O6 0.6(4) . . . . ?
N2 C17 C16 C15 0.5(5) . . . . ?
C17 C16 C15 N1 -0.2(6) . . . . ?
N4 C18 C19 C20 -0.2(5) . . . . ?
C18 C19 C20 N3 0.4(5) . . . . ?
N6 C21 C22 C23 -0.3(5) . . . . ?
C21 C22 C23 N5 0.2(5) . . . . ?
C16 C15 N1 N2 -0.1(5) . . . . ?
C16 C15 N1 Zn1 -174.1(3) . . . . ?
N3 Zn1 N1 C15 100.5(4) . . . . ?
N5 Zn1 N1 C15 -86.0(4) . . . . ?
O6 Zn1 N1 C15 -0.1(4) 4_666 . . . ?
O1 Zn1 N1 C15 -172.2(4) . . . . ?
N3 Zn1 N1 N2 -72.7(3) . . . . ?
N5 Zn1 N1 N2 100.8(3) . . . . ?
O6 Zn1 N1 N2 -173.3(3) 4_666 . . . ?
O1 Zn1 N1 N2 14.7(3) . . . . ?
C16 C17 N2 N1 -0.6(5) . . . . ?
C15 N1 N2 C17 0.4(5) . . . . ?
Zn1 N1 N2 C17 175.2(3) . . . . ?
C19 C20 N3 N4 -0.4(5) . . . . ?
C19 C20 N3 Zn1 -171.2(3) . . . . ?
N5 Zn1 N3 C20 -71.9(4) . . . . ?
N1 Zn1 N3 C20 101.9(4) . . . . ?
O6 Zn1 N3 C20 -164.0(3) 4_666 . . . ?
O1 Zn1 N3 C20 20.3(4) . . . . ?
N5 Zn1 N3 N4 118.5(3) . . . . ?
N1 Zn1 N3 N4 -67.7(3) . . . . ?
O6 Zn1 N3 N4 26.4(3) 4_666 . . . ?
O1 Zn1 N3 N4 -149.3(3) . . . . ?
C19 C18 N4 N3 0.0(5) . . . . ?
C20 N3 N4 C18 0.2(4) . . . . ?
Zn1 N3 N4 C18 172.2(3) . . . . ?
C22 C23 N5 N6 -0.1(4) . . . . ?
C22 C23 N5 Zn1 176.2(3) . . . . ?
N3 Zn1 N5 C23 -106.1(3) . . . . ?
N1 Zn1 N5 C23 81.5(3) . . . . ?
O6 Zn1 N5 C23 -6.8(3) 4_666 . . . ?
O1 Zn1 N5 C23 162.9(3) . . . . ?
N3 Zn1 N5 N6 69.5(3) . . . . ?
N1 Zn1 N5 N6 -103.0(3) . . . . ?
O6 Zn1 N5 N6 168.7(3) 4_666 . . . ?
O1 Zn1 N5 N6 -21.6(3) . . . . ?
C22 C21 N6 N5 0.3(5) . . . . ?
C23 N5 N6 C21 -0.2(4) . . . . ?
Zn1 N5 N6 C21 -176.6(3) . . . . ?
O7 C26 N7 C24 11.6(14) . . . . ?
O7 C26 N7 C25 -175.8(8) . . . . ?
O2 C1 O1 Zn1 2.9(6) . . . . ?
C2 C1 O1 Zn1 -174.8(3) . . . . ?
N3 Zn1 O1 C1 -95.9(4) . . . . ?
N5 Zn1 O1 C1 28.9(4) . . . . ?
N1 Zn1 O1 C1 157.3(4) . . . . ?
O6 Zn1 O1 C1 108.1(6) 4_666 . . . ?
C4 C3 O3 C2 2.2(5) . . . . ?
C12 C3 O3 C2 -178.4(3) . . . . ?
C1 C2 O3 C3 -76.0(4) . . . . ?
C11 C12 O4 C13 -7.0(5) . . . . ?
C3 C12 O4 C13 174.0(3) . . . . ?
C14 C13 O4 C12 -80.9(3) . . . . ?
O5 C14 O6 Zn1 -0.5(6) . . . 4_465 ?
C13 C14 O6 Zn1 -178.7(2) . . . 4_465 ?
