#------------------------------------------------------------------------------
#$Date: 2019-08-20 07:07:28 +0300 (Tue, 20 Aug 2019) $
#$Revision: 217609 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/17/2021749.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_2021749
loop_
_publ_author_name
'An, Yanyan'
'Lu, Liping'
'Zhu, Miaoli'
_publ_section_title
;
 Three new ZnII coordination polymers constructed from a semi-rigid
 tricarboxylic acid: structural changes caused by flexibility and
 luminescence sensing for hexavalent chromate anions
;
_journal_coeditor_code           SK3729
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229619011069
_journal_volume                  75
_journal_year                    2019
_chemical_formula_iupac          '[Zn (C16 H10 O7) (C12 H8 N2) (H2 O)], 2H2 O'
_chemical_formula_moiety         'C28 H20 N2 O8 Zn, 2(H2 O)'
_chemical_formula_sum            'C28 H24 N2 O10 Zn'
_chemical_formula_weight         613.86
_chemical_name_systematic
'catena-Poly[[[aqua(1,10-phenanthroline)zinc(II)]\-m₂-5-(4-carboxybenzyloxy)isophthalato] dihydrate]'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                78.2230(19)
_cell_angle_beta                 73.5756(17)
_cell_angle_gamma                82.7987(19)
_cell_formula_units_Z            2
_cell_length_a                   10.1554(5)
_cell_length_b                   11.4754(6)
_cell_length_c                   12.0367(6)
_cell_measurement_reflns_used    9927
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      37.10
_cell_measurement_theta_min      3.51
_cell_volume                     1313.74(12)
_computing_cell_refinement
;
SAINT (Bruker, 2012)
;
_computing_data_collection
;
APEX2 (Bruker, 2012)
;
_computing_data_reduction
;
SAINT (Bruker, 2012)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXL2014 (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0345
_diffrn_reflns_av_unetI/netI     0.0513
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            37436
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         36.936
_diffrn_reflns_theta_min         3.508
_exptl_absorpt_coefficient_mu    0.999
_exptl_absorpt_correction_T_max  0.7473
_exptl_absorpt_correction_T_min  0.6061
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2001)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_description       sheet
_exptl_crystal_F_000             632
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.446
_refine_diff_density_min         -0.680
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         13189
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0905
_refine_ls_R_factor_gt           0.0508
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0646P)²+0.5565P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1240
_refine_ls_wR_factor_ref         0.1419
_reflns_number_gt                8829
_reflns_number_total             13189
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            sk3729sup1.cif
_cod_data_source_block           II
_cod_database_code               2021749
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.825
_shelx_estimated_absorpt_t_max   0.907
loop_
_space_group_symop_operation_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_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn Zn1 0.84998(2) 0.37368(2) 0.34539(2) 0.02585(6) Uani d 1 . .
O O1 0.73917(12) 0.46610(12) 0.22212(12) 0.0334(3) Uani d 1 . .
O O2 0.60652(15) 0.36521(14) 0.37687(13) 0.0425(3) Uani d 1 . .
O O3 0.09311(13) 0.39352(13) 0.42261(12) 0.0373(3) Uani d 1 . .
O O4 0.03748(13) 0.42775(15) 0.25251(13) 0.0409(3) Uani d 1 . .
O O5 0.38281(18) 0.81016(11) -0.00111(11) 0.0410(3) Uani d 1 . .
O O6 0.3819(2) 1.30500(13) -0.34815(15) 0.0556(4) Uani d 1 . .
O O7 0.49689(17) 1.18555(13) -0.47312(13) 0.0445(3) Uani d 1 . .
H H7 0.5116 1.2490 -0.5188 0.067 Uiso d 1 . .
O O8 0.79743(17) 0.51779(14) 0.43271(16) 0.0499(4) Uani d 1 . .
H H8A 0.7278 0.5545 0.4183 0.075 Uiso d 1 . .
H H8B 0.8234 0.5485 0.4779 0.075 Uiso d 1 . .
N N1 0.88275(16) 0.21214(14) 0.27260(14) 0.0320(3) Uani d 1 . .
N N2 0.82260(14) 0.23997(13) 0.49744(13) 0.0281(3) Uani d 1 . .
C C1 0.62172(16) 0.43534(14) 0.28153(14) 0.0252(3) Uani d 1 . .
C C2 0.49879(14) 0.48264(13) 0.23593(13) 0.0211(2) Uani d 1 . .
C C3 0.37072(15) 0.43887(13) 0.29483(13) 0.0220(2) Uani d 1 . .
H H3 0.3609 0.3839 0.3646 0.026 Uiso calc 1 . .
C C4 0.25745(15) 0.47701(13) 0.24978(14) 0.0233(3) Uani d 1 . .
C C5 0.27339(17) 0.55932(15) 0.14535(15) 0.0275(3) Uani d 1 . .
H H5 0.1985 0.5837 0.1140 0.033 Uiso calc 1 . .
C C6 0.40015(17) 0.60550(14) 0.08737(14) 0.0261(3) Uani d 1 . .
C C7 0.51262(16) 0.56682(13) 0.13304(14) 0.0245(3) Uani d 1 . .
H H7A 0.5975 0.5974 0.0946 0.029 Uiso calc 1 . .
C C8 0.11975(16) 0.42880(14) 0.31488(15) 0.0269(3) Uani d 1 . .
C C9 0.4177(2) 0.69183(15) -0.02668(15) 0.0327(3) Uani d 1 . .
H H9A 0.5122 0.6851 -0.0739 0.039 Uiso calc 1 . .
H H9B 0.3582 0.6743 -0.0707 0.039 Uiso calc 1 . .
C C10 0.3971(2) 0.90124(15) -0.09499(15) 0.0315(3) Uani d 1 . .
C C11 0.4396(2) 0.88592(15) -0.21228(15) 0.0328(3) Uani d 1 . .
H H11 0.4602 0.8098 -0.2308 0.039 Uiso calc 1 . .
C C12 0.4505(2) 0.98537(15) -0.30068(15) 0.0317(3) Uani d 1 . .
H H12 0.4804 0.9756 -0.3789 0.038 Uiso calc 1 . .
C C13 0.41750(18) 1.09952(15) -0.27422(15) 0.0297(3) Uani d 1 . .
C C14 0.3741(2) 1.11371(16) -0.15661(17) 0.0382(4) Uani d 1 . .
H H14 0.3516 1.1898 -0.1382 0.046 Uiso calc 1 . .
C C15 0.3643(3) 1.01558(17) -0.06750(16) 0.0408(4) Uani d 1 . .
H H15 0.3359 1.0256 0.0107 0.049 Uiso calc 1 . .
C C16 0.42923(19) 1.20686(16) -0.36758(16) 0.0328(3) Uani d 1 . .
C C17 0.9140(3) 0.2009(2) 0.1609(2) 0.0463(5) Uani d 1 . .
H H17 0.9236 0.2694 0.1035 0.056 Uiso calc 1 . .
C C18 0.9332(3) 0.0894(3) 0.1259(2) 0.0593(7) Uani d 1 . .
H H18 0.9569 0.0846 0.0464 0.071 Uiso calc 1 . .
C C19 0.9169(3) -0.0118(2) 0.2090(2) 0.0537(6) Uani d 1 . .
H H19 0.9294 -0.0862 0.1866 0.064 Uiso calc 1 . .
C C20 0.88128(19) -0.00270(17) 0.3284(2) 0.0384(4) Uani d 1 . .
C C21 0.86648(16) 0.11220(15) 0.35579(17) 0.0293(3) Uani d 1 . .
C C22 0.83263(16) 0.12723(14) 0.47658(16) 0.0274(3) Uani d 1 . .
C C23 0.81129(19) 0.02643(17) 0.56636(19) 0.0358(4) Uani d 1 . .
C C24 0.8265(2) -0.08929(18) 0.5352(2) 0.0472(5) Uani d 1 . .
H H24 0.8128 -0.1562 0.5945 0.057 Uiso calc 1 . .
C C25 0.8601(2) -0.10344(17) 0.4224(2) 0.0475(5) Uani d 1 . .
H H25 0.8698 -0.1799 0.4050 0.057 Uiso calc 1 . .
C C26 0.7772(2) 0.0468(2) 0.6829(2) 0.0474(5) Uani d 1 . .
H H26 0.7618 -0.0170 0.7455 0.057 Uiso calc 1 . .
C C27 0.7671(3) 0.1602(2) 0.7036(2) 0.0488(5) Uani d 1 . .
H H27 0.7446 0.1745 0.7803 0.059 Uiso calc 1 . .
C C28 0.7908(2) 0.25503(19) 0.60851(18) 0.0402(4) Uani d 1 . .
H H28 0.7840 0.3321 0.6238 0.048 Uiso calc 1 . .
O O9 0.1148(8) 0.4067(8) -0.0014(7) 0.188(3) Uani d 0.597(6) A 1
H H9C 0.0708 0.4457 0.0491 0.283 Uiso d 0.597(6) A 1
H H9D 0.1447 0.4610 -0.0556 0.283 Uiso d 0.597(6) A 1
O O10 0.2256(8) 0.2537(7) 0.0952(8) 0.111(3) Uani d 0.403(6) A 2
H H10A 0.1988 0.3071 0.0481 0.167 Uiso d 0.403(6) A 2
H H10B 0.1982 0.2737 0.1601 0.167 Uiso d 0.403(6) A 2
O O11 0.9277(4) 0.7016(3) 0.1613(4) 0.1433(14) Uani d 1 . .
H H11A 0.9214 0.6297 0.1852 0.215 Uiso d 1 . .
H H11B 0.8955 0.7009 0.1062 0.215 Uiso d 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O4 Zn1 O8 1_655 . 94.41(7)
O4 Zn1 N2 1_655 . 122.07(6)
O8 Zn1 N2 . . 96.44(6)
O4 Zn1 O1 1_655 . 97.08(5)
O8 Zn1 O1 . . 88.62(6)
N2 Zn1 O1 . . 139.79(5)
O4 Zn1 N1 1_655 . 92.88(6)
O8 Zn1 N1 . . 172.36(7)
N2 Zn1 N1 . . 77.68(6)
O1 Zn1 N1 . . 92.77(6)
O4 Zn1 O2 1_655 . 153.78(5)
O8 Zn1 O2 . . 85.79(6)
N2 Zn1 O2 . . 83.84(5)
O1 Zn1 O2 . . 56.69(5)
N1 Zn1 O2 . . 88.70(6)
C1 O1 Zn1 . . 97.09(10)
C1 O2 Zn1 . . 85.35(10)
C8 O4 Zn1 . 1_455 114.34(12)
C10 O5 C9 . . 116.70(13)
C16 O7 H7 . . 109.4
Zn1 O8 H8A . . 109.4
Zn1 O8 H8B . . 139.9
H8A O8 H8B . . 110.6
C17 N1 C21 . . 118.50(17)
C17 N1 Zn1 . . 128.40(15)
C21 N1 Zn1 . . 113.10(11)
C28 N2 C22 . . 117.84(16)
C28 N2 Zn1 . . 127.45(13)
C22 N2 Zn1 . . 114.63(11)
O2 C1 O1 . . 120.74(15)
O2 C1 C2 . . 119.67(14)
O1 C1 C2 . . 119.58(14)
C7 C2 C3 . . 119.74(13)
C7 C2 C1 . . 120.44(13)
C3 C2 C1 . . 119.77(13)
C4 C3 C2 . . 120.35(13)
C4 C3 H3 . . 119.8
C2 C3 H3 . . 119.8
C5 C4 C3 . . 119.31(14)
C5 C4 C8 . . 121.14(14)
C3 C4 C8 . . 119.55(14)
C4 C5 C6 . . 120.72(14)
C4 C5 H5 . . 119.6
C6 C5 H5 . . 119.6
C7 C6 C5 . . 119.51(14)
C7 C6 C9 . . 119.90(15)
C5 C6 C9 . . 120.52(15)
C6 C7 C2 . . 120.33(14)
C6 C7 H7A . . 119.8
C2 C7 H7A . . 119.8
O3 C8 O4 . . 124.34(15)
O3 C8 C4 . . 119.68(14)
O4 C8 C4 . . 115.98(15)
O5 C9 C6 . . 108.48(14)
O5 C9 H9A . . 110.0
C6 C9 H9A . . 110.0
O5 C9 H9B . . 110.0
C6 C9 H9B . . 110.0
H9A C9 H9B . . 108.4
O5 C10 C15 . . 115.48(15)
O5 C10 C11 . . 124.32(15)
C15 C10 C11 . . 120.20(15)
C12 C11 C10 . . 119.25(16)
C12 C11 H11 . . 120.4
C10 C11 H11 . . 120.4
C11 C12 C13 . . 120.97(16)
C11 C12 H12 . . 119.5
C13 C12 H12 . . 119.5
C12 C13 C14 . . 119.27(15)
C12 C13 C16 . . 121.70(16)
C14 C13 C16 . . 119.02(16)
C15 C14 C13 . . 120.45(16)
C15 C14 H14 . . 119.8
C13 C14 H14 . . 119.8
C14 C15 C10 . . 119.84(17)
C14 C15 H15 . . 120.1
C10 C15 H15 . . 120.1
O6 C16 O7 . . 123.37(17)
O6 C16 C13 . . 122.85(18)
O7 C16 C13 . . 113.78(15)
N1 C17 C18 . . 122.3(2)
N1 C17 H17 . . 118.8
C18 C17 H17 . . 118.8
C19 C18 C17 . . 119.6(2)
C19 C18 H18 . . 120.2
C17 C18 H18 . . 120.2
C18 C19 C20 . . 119.4(2)
C18 C19 H19 . . 120.3
C20 C19 H19 . . 120.3
C19 C20 C21 . . 117.3(2)
C19 C20 C25 . . 123.74(19)
C21 C20 C25 . . 119.0(2)
N1 C21 C20 . . 122.80(18)
N1 C21 C22 . . 117.25(14)
C20 C21 C22 . . 119.96(17)
N2 C22 C23 . . 123.30(17)
N2 C22 C21 . . 117.28(15)
C23 C22 C21 . . 119.42(16)
C22 C23 C26 . . 116.85(18)
C22 C23 C24 . . 119.1(2)
C26 C23 C24 . . 124.1(2)
C25 C24 C23 . . 121.5(2)
C25 C24 H24 . . 119.3
C23 C24 H24 . . 119.3
C24 C25 C20 . . 121.09(18)
C24 C25 H25 . . 119.5
C20 C25 H25 . . 119.5
C27 C26 C23 . . 119.74(19)
C27 C26 H26 . . 120.1
C23 C26 H26 . . 120.1
C26 C27 C28 . . 119.4(2)
C26 C27 H27 . . 120.3
C28 C27 H27 . . 120.3
N2 C28 C27 . . 122.9(2)
N2 C28 H28 . . 118.5
C27 C28 H28 . . 118.5
H9C O9 H9D . . 100.1
H10A O10 H10B . . 107.3
H11A O11 H11B . . 92.7
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Zn1 O4 1_655 2.0174(13)
Zn1 O8 . 2.0724(14)
Zn1 N2 . 2.1104(15)
Zn1 O1 . 2.1437(13)
Zn1 N1 . 2.1583(15)
Zn1 O2 . 2.4045(14)
O1 C1 . 1.256(2)
O2 C1 . 1.242(2)
O3 C8 . 1.238(2)
O4 C8 . 1.274(2)
O4 Zn1 1_455 2.0174(13)
O5 C10 . 1.361(2)
O5 C9 . 1.433(2)
O6 C16 . 1.209(2)
O7 C16 . 1.318(2)
O7 H7 . 0.8199
O8 H8A . 0.8202
O8 H8B . 0.8197
N1 C17 . 1.320(3)
N1 C21 . 1.353(2)
N2 C28 . 1.326(2)
N2 C22 . 1.354(2)
C1 C2 . 1.500(2)
C2 C7 . 1.391(2)
C2 C3 . 1.394(2)
C3 C4 . 1.392(2)
C3 H3 . 0.9300
C4 C5 . 1.392(2)
C4 C8 . 1.508(2)
C5 C6 . 1.392(2)
C5 H5 . 0.9300
C6 C7 . 1.390(2)
C6 C9 . 1.499(2)
C7 H7A . 0.9300
C9 H9A . 0.9700
C9 H9B . 0.9700
C10 C15 . 1.396(2)
C10 C11 . 1.396(2)
C11 C12 . 1.384(2)
C11 H11 . 0.9300
C12 C13 . 1.389(2)
C12 H12 . 0.9300
C13 C14 . 1.396(3)
C13 C16 . 1.480(2)
C14 C15 . 1.380(3)
C14 H14 . 0.9300
C15 H15 . 0.9300
C17 C18 . 1.401(3)
C17 H17 . 0.9300
C18 C19 . 1.362(4)
C18 H18 . 0.9300
C19 C20 . 1.402(3)
C19 H19 . 0.9300
C20 C21 . 1.403(2)
C20 C25 . 1.433(3)
C21 C22 . 1.438(3)
C22 C23 . 1.405(2)
C23 C26 . 1.407(3)
C23 C24 . 1.431(3)
C24 C25 . 1.342(4)
C24 H24 . 0.9300
C25 H25 . 0.9300
C26 C27 . 1.361(4)
C26 H26 . 0.9300
C27 C28 . 1.398(3)
C27 H27 . 0.9300
C28 H28 . 0.9300
O9 H9C . 0.8226
O9 H9D . 0.8218
O10 H10A . 0.8212
O10 H10B . 0.8207
O11 H11A . 0.8207
O11 H11B . 0.8208
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
O7 H7 O2 1_564 0.82 1.80 2.5825(19) 159.2
O8 H8A O6 2_675 0.82 2.02 2.786(2) 155.4
O8 H8B O3 2_666 0.82 1.91 2.722(2) 172.1
O9 H9C O4 . 0.82 2.34 2.986(8) 135.3
O9 H9C O9 2_565 0.82 2.48 2.96(2) 118.0
O9 H9D O1 2_665 0.82 2.08 2.849(7) 155.3
O10 H10B O4 . 0.82 2.47 3.125(7) 138.0
O11 H11A O4 1_655 0.82 2.55 3.276(4) 148.0
O11 H11B O9 2_665 0.82 1.97 2.648(8) 140.1
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
Zn1 O2 C1 O1 . 3.35(17)
Zn1 O2 C1 C2 . -177.47(13)
Zn1 O1 C1 O2 . -3.78(19)
Zn1 O1 C1 C2 . 177.04(12)
O2 C1 C2 C7 . 176.04(16)
O1 C1 C2 C7 . -4.8(2)
O2 C1 C2 C3 . -6.2(2)
O1 C1 C2 C3 . 172.98(15)
C7 C2 C3 C4 . 1.4(2)
C1 C2 C3 C4 . -176.34(14)
C2 C3 C4 C5 . 0.0(2)
C2 C3 C4 C8 . -179.89(14)
C3 C4 C5 C6 . -1.4(2)
C8 C4 C5 C6 . 178.44(15)
C4 C5 C6 C7 . 1.5(2)
C4 C5 C6 C9 . 178.47(15)
C5 C6 C7 C2 . 0.0(2)
C9 C6 C7 C2 . -177.06(14)
C3 C2 C7 C6 . -1.4(2)
C1 C2 C7 C6 . 176.35(14)
Zn1 O4 C8 O3 1_455 4.2(2)
Zn1 O4 C8 C4 1_455 -175.78(10)
C5 C4 C8 O3 . -153.39(16)
C3 C4 C8 O3 . 26.5(2)
C5 C4 C8 O4 . 26.5(2)
C3 C4 C8 O4 . -153.58(16)
C10 O5 C9 C6 . 177.91(16)
C7 C6 C9 O5 . -94.92(19)
C5 C6 C9 O5 . 88.1(2)
C9 O5 C10 C15 . -179.14(19)
C9 O5 C10 C11 . 1.7(3)
O5 C10 C11 C12 . -179.96(19)
C15 C10 C11 C12 . 0.9(3)
C10 C11 C12 C13 . -1.2(3)
C11 C12 C13 C14 . 0.7(3)
C11 C12 C13 C16 . 179.71(18)
C12 C13 C14 C15 . 0.2(3)
C16 C13 C14 C15 . -178.9(2)
C13 C14 C15 C10 . -0.4(3)
O5 C10 C15 C14 . -179.3(2)
C11 C10 C15 C14 . -0.1(3)
C12 C13 C16 O6 . 168.4(2)
C14 C13 C16 O6 . -12.6(3)
C12 C13 C16 O7 . -12.2(3)
C14 C13 C16 O7 . 166.85(19)
C21 N1 C17 C18 . -1.2(3)
Zn1 N1 C17 C18 . 179.65(19)
N1 C17 C18 C19 . 1.2(4)
C17 C18 C19 C20 . 0.0(4)
C18 C19 C20 C21 . -1.1(3)
C18 C19 C20 C25 . 179.2(2)
C17 N1 C21 C20 . -0.1(3)
Zn1 N1 C21 C20 . 179.23(13)
C17 N1 C21 C22 . 179.93(17)
Zn1 N1 C21 C22 . -0.77(18)
C19 C20 C21 N1 . 1.2(3)
C25 C20 C21 N1 . -179.08(17)
C19 C20 C21 C22 . -178.81(18)
C25 C20 C21 C22 . 0.9(3)
C28 N2 C22 C23 . -0.1(2)
Zn1 N2 C22 C23 . -176.94(13)
C28 N2 C22 C21 . 179.69(16)
Zn1 N2 C22 C21 . 2.85(18)
N1 C21 C22 N2 . -1.4(2)
C20 C21 C22 N2 . 178.62(15)
N1 C21 C22 C23 . 178.42(15)
C20 C21 C22 C23 . -1.6(2)
N2 C22 C23 C26 . 0.3(3)
C21 C22 C23 C26 . -179.45(17)
N2 C22 C23 C24 . -178.98(16)
C21 C22 C23 C24 . 1.2(2)
C22 C23 C24 C25 . -0.3(3)
C26 C23 C24 C25 . -179.5(2)
C23 C24 C25 C20 . -0.4(3)
C19 C20 C25 C24 . 179.8(2)
C21 C20 C25 C24 . 0.1(3)
C22 C23 C26 C27 . -0.2(3)
C24 C23 C26 C27 . 179.0(2)
C23 C26 C27 C28 . -0.1(4)
C22 N2 C28 C27 . -0.2(3)
Zn1 N2 C28 C27 . 176.16(16)
C26 C27 C28 N2 . 0.3(4)

_cod_database_fobs_code 2021749
