#------------------------------------------------------------------------------
#$Date: 2019-11-07 21:30:25 +0200 (Thu, 07 Nov 2019) $
#$Revision: 223528 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/32/7233273.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_7233273
loop_
_publ_author_name
'Long, Bing-Fan'
'Wang, Meng-Fan'
'Huang, Qin'
'Yin, Xian-Hong'
'Young, David James'
'Hu, Fei-Long'
'Mi, Yan'
_publ_section_title
;
 A pillar-layer strategy to construct 2D polycatenated coordination
 polymers for luminescence detection of Cr2O72− and CrO42−
 in aqueous solution
;
_journal_issue                   33
_journal_name_full               CrystEngComm
_journal_page_first              4943
_journal_paper_doi               10.1039/C9CE00825J
_journal_volume                  21
_journal_year                    2019
_chemical_formula_sum            'C29 H22.5 N2.5 O6 Zn'
_chemical_formula_weight         567.36
_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   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-12-02 deposited with the CCDC.    2019-07-11 downloaded from the CCDC.
;
_cell_angle_alpha                94.747(8)
_cell_angle_beta                 100.867(8)
_cell_angle_gamma                109.277(7)
_cell_formula_units_Z            2
_cell_length_a                   8.831(2)
_cell_length_b                   12.567(3)
_cell_length_c                   13.429(3)
_cell_measurement_reflns_used    3977
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.59
_cell_measurement_theta_min      2.50
_cell_volume                     1364.5(5)
_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-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.886
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0392
_diffrn_reflns_av_unetI/netI     0.0622
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.886
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            19869
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.886
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.682
_diffrn_reflns_theta_min         1.563
_diffrn_source                   graphite
_exptl_absorpt_coefficient_mu    0.946
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.381
_exptl_crystal_description       block
_exptl_crystal_F_000             584
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.575
_refine_diff_density_min         -0.368
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     362
_refine_ls_number_reflns         7497
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0860
_refine_ls_R_factor_gt           0.0514
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0668P)²+0.6572P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1289
_refine_ls_wR_factor_ref         0.1484
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5056
_reflns_number_total             7497
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9ce00825j2.cif
_cod_data_source_block           5
_cod_depositor_comments
'Adding full bibliography for 7233269--7233274.cif.'
_cod_original_formula_sum        'C29 H22.50 N2.50 O6 Zn'
_cod_database_code               7233273
_shelx_shelxl_version_number     2014/7
_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   0.841
_shelx_estimated_absorpt_t_max   0.911
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
C1 C 1.8134(4) 0.3881(3) 0.6824(2) 0.0510(7) Uani 1 1 d . . .
C2 C 1.6924(4) 0.3713(2) 0.7478(2) 0.0473(7) Uani 1 1 d . . .
C3 C 1.5901(4) 0.4346(3) 0.7428(3) 0.0559(8) Uani 1 1 d . . .
H3 H 1.6001 0.4892 0.6994 0.067 Uiso 1 1 calc R U .
C4 C 1.4735(4) 0.4183(3) 0.8011(3) 0.0553(8) Uani 1 1 d . . .
H4 H 1.4046 0.4609 0.7963 0.066 Uiso 1 1 calc R U .
C5 C 1.4599(4) 0.3380(3) 0.8670(2) 0.0492(7) Uani 1 1 d . . .
C6 C 1.5621(4) 0.2742(3) 0.8732(3) 0.0558(8) Uani 1 1 d . . .
H6 H 1.5529 0.2202 0.9173 0.067 Uiso 1 1 calc R U .
C7 C 1.6768(4) 0.2906(3) 0.8144(3) 0.0527(7) Uani 1 1 d . . .
H7 H 1.7448 0.2475 0.8189 0.063 Uiso 1 1 calc R U .
C8 C 1.2308(4) 0.3702(3) 0.9173(3) 0.0594(8) Uani 1 1 d . . .
H8A H 1.1750 0.3605 0.8458 0.071 Uiso 1 1 calc R U .
H8B H 1.2856 0.4512 0.9424 0.071 Uiso 1 1 calc R U .
C9 C 1.1098(4) 0.3185(3) 0.9789(2) 0.0509(7) Uani 1 1 d . . .
C10 C 1.0818(5) 0.3859(3) 1.0540(3) 0.0869(14) Uani 1 1 d . . .
H10 H 1.1424 0.4637 1.0688 0.104 Uiso 1 1 calc R U .
C11 C 0.9645(7) 0.3383(4) 1.1072(4) 0.127(3) Uani 1 1 d . . .
H11 H 0.9461 0.3840 1.1582 0.153 Uiso 1 1 calc R U .
C12 C 0.8735(6) 0.2227(4) 1.0853(3) 0.0968(17) Uani 1 1 d . . .
H12 H 0.7942 0.1911 1.1218 0.116 Uiso 1 1 calc R U .
C13 C 0.8993(4) 0.1538(3) 1.0098(2) 0.0516(7) Uani 1 1 d . . .
C14 C 1.0156(4) 0.2028(3) 0.9568(2) 0.0479(7) Uani 1 1 d . . .
H14 H 1.0320 0.1575 0.9045 0.057 Uiso 1 1 calc R U .
C15 C 0.7894(4) 0.0305(3) 0.9786(3) 0.0557(8) Uani 1 1 d . . .
H15A H 0.8464 -0.0139 0.9495 0.067 Uiso 1 1 calc R U .
H15B H 0.7541 -0.0017 1.0372 0.067 Uiso 1 1 calc R U .
C16 C 0.5483(4) -0.0678(2) 0.8425(2) 0.0452(7) Uani 1 1 d . . .
C17 C 0.4347(4) -0.0540(2) 0.7627(2) 0.0526(8) Uani 1 1 d . . .
H17 H 0.4334 0.0186 0.7548 0.063 Uiso 1 1 calc R U .
C18 C 0.3247(4) -0.1471(2) 0.6959(2) 0.0473(7) Uani 1 1 d . . .
H18 H 0.2483 -0.1371 0.6429 0.057 Uiso 1 1 calc R U .
C19 C 0.3246(3) -0.2565(2) 0.7053(2) 0.0368(6) Uani 1 1 d . . .
C20 C 0.4392(4) -0.2683(2) 0.7854(2) 0.0477(7) Uani 1 1 d . . .
H20 H 0.4412 -0.3408 0.7928 0.057 Uiso 1 1 calc R U .
C21 C 0.5506(4) -0.1757(2) 0.8546(2) 0.0514(8) Uani 1 1 d . . .
H21 H 0.6258 -0.1855 0.9083 0.062 Uiso 1 1 calc R U .
C22 C 0.2046(3) -0.3562(2) 0.6303(2) 0.0401(6) Uani 1 1 d . . .
C23 C -0.1546(5) -0.2108(3) 0.4051(3) 0.0700(11) Uani 1 1 d . . .
H23 H -0.0711 -0.1815 0.3710 0.084 Uiso 1 1 calc R U .
C24 C -0.2523(6) -0.1484(3) 0.4210(3) 0.0792(13) Uani 1 1 d . . .
H24 H -0.2328 -0.0778 0.3992 0.095 Uiso 1 1 calc R U .
C25 C -0.3780(5) -0.1907(3) 0.4688(3) 0.0621(9) Uani 1 1 d . . .
C26 C -0.4026(5) -0.2965(3) 0.4989(4) 0.0770(12) Uani 1 1 d . . .
H26 H -0.4893 -0.3296 0.5295 0.092 Uiso 1 1 calc R U .
C27 C -0.2960(5) -0.3523(3) 0.4828(3) 0.0685(10) Uani 1 1 d . . .
H27 H -0.3107 -0.4220 0.5057 0.082 Uiso 1 1 calc R U .
C28 C -0.4883(6) -0.1295(4) 0.4878(3) 0.0757(12) Uani 1 1 d . . .
H28 H -0.5922 -0.1688 0.4981 0.091 Uiso 1 1 calc R U .
N3 N -0.4398(5) -0.0224(3) 0.4898(3) 0.0829(11) Uani 1 1 d . . .
N1 N -0.1747(3) -0.3115(2) 0.43665(19) 0.0468(6) Uani 1 1 d . . .
O1 O 0.1081(3) -0.33555(18) 0.55958(16) 0.0551(5) Uani 1 1 d . . .
O2 O 0.2064(3) -0.45397(16) 0.64191(17) 0.0528(5) Uani 1 1 d . . .
O3 O 0.6516(3) 0.03111(17) 0.90362(19) 0.0624(6) Uani 1 1 d . . .
O4 O 1.3488(3) 0.3139(2) 0.92683(19) 0.0632(6) Uani 1 1 d . . .
O5 O 1.8234(3) 0.4595(2) 0.62157(19) 0.0633(6) Uani 1 1 d . . .
O6 O 1.9081(3) 0.3302(2) 0.68853(18) 0.0598(6) Uani 1 1 d . . .
Zn1 Zn -0.02270(4) -0.40280(2) 0.41968(2) 0.03973(12) Uani 1 1 d . . .
C30 C 0.060(2) 0.0944(16) 0.2671(11) 0.126(4) Uani 0.5 1 d . U P
N2 N -0.015(2) 0.0071(12) 0.2523(10) 0.158(5) Uani 0.5 1 d . U P
C31 C 0.1468(18) 0.2145(16) 0.2750(10) 0.154(5) Uani 0.5 1 d . U P
H31A H 0.1268 0.2373 0.2087 0.230 Uiso 0.5 1 calc R U P
H31B H 0.2628 0.2311 0.2995 0.230 Uiso 0.5 1 calc R U P
H31C H 0.1086 0.2555 0.3222 0.230 Uiso 0.5 1 calc R U P
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
O5 C1 O6 120.1(3) . .
O5 C1 C2 120.3(3) . .
O6 C1 C2 119.7(3) . .
O5 C1 Zn1 64.86(18) . 2_756
O6 C1 Zn1 55.20(16) . 2_756
C2 C1 Zn1 174.9(2) . 2_756
C3 C2 C7 118.5(3) . .
C3 C2 C1 120.3(3) . .
C7 C2 C1 121.2(3) . .
C4 C3 C2 121.3(3) . .
C4 C3 H3 119.3 . .
C2 C3 H3 119.3 . .
C3 C4 C5 119.4(3) . .
C3 C4 H4 120.3 . .
C5 C4 H4 120.3 . .
O4 C5 C4 124.5(3) . .
O4 C5 C6 115.5(3) . .
C4 C5 C6 120.0(3) . .
C7 C6 C5 120.0(3) . .
C7 C6 H6 120.0 . .
C5 C6 H6 120.0 . .
C6 C7 C2 120.8(3) . .
C6 C7 H7 119.6 . .
C2 C7 H7 119.6 . .
O4 C8 C9 107.9(3) . .
O4 C8 H8A 110.1 . .
C9 C8 H8A 110.1 . .
O4 C8 H8B 110.1 . .
C9 C8 H8B 110.1 . .
H8A C8 H8B 108.4 . .
C10 C9 C14 119.0(3) . .
C10 C9 C8 120.3(3) . .
C14 C9 C8 120.6(3) . .
C11 C10 C9 119.9(3) . .
C11 C10 H10 120.0 . .
C9 C10 H10 120.0 . .
C10 C11 C12 120.4(4) . .
C10 C11 H11 119.8 . .
C12 C11 H11 119.8 . .
C13 C12 C11 120.5(4) . .
C13 C12 H12 119.8 . .
C11 C12 H12 119.8 . .
C14 C13 C12 118.4(3) . .
C14 C13 C15 120.7(3) . .
C12 C13 C15 120.6(3) . .
C13 C14 C9 121.8(3) . .
C13 C14 H14 119.1 . .
C9 C14 H14 119.1 . .
O3 C15 C13 105.2(2) . .
O3 C15 H15A 110.7 . .
C13 C15 H15A 110.7 . .
O3 C15 H15B 110.7 . .
C13 C15 H15B 110.7 . .
H15A C15 H15B 108.8 . .
O3 C16 C21 125.4(3) . .
O3 C16 C17 114.4(3) . .
C21 C16 C17 120.2(3) . .
C18 C17 C16 119.9(3) . .
C18 C17 H17 120.1 . .
C16 C17 H17 120.1 . .
C17 C18 C19 121.3(3) . .
C17 C18 H18 119.3 . .
C19 C18 H18 119.3 . .
C20 C19 C18 117.8(2) . .
C20 C19 C22 122.2(2) . .
C18 C19 C22 120.0(2) . .
C21 C20 C19 122.0(3) . .
C21 C20 H20 119.0 . .
C19 C20 H20 119.0 . .
C20 C21 C16 118.8(3) . .
C20 C21 H21 120.6 . .
C16 C21 H21 120.6 . .
O1 C22 O2 124.8(3) . .
O1 C22 C19 116.9(2) . .
O2 C22 C19 118.4(3) . .
N1 C23 C24 122.7(3) . .
N1 C23 H23 118.6 . .
C24 C23 H23 118.6 . .
C25 C24 C23 119.7(3) . .
C25 C24 H24 120.1 . .
C23 C24 H24 120.1 . .
C24 C25 C26 117.9(3) . .
C24 C25 C28 122.9(3) . .
C26 C25 C28 119.2(3) . .
C27 C26 C25 118.8(4) . .
C27 C26 H26 120.6 . .
C25 C26 H26 120.6 . .
N1 C27 C26 123.3(3) . .
N1 C27 H27 118.4 . .
C26 C27 H27 118.4 . .
N3 C28 C25 119.0(4) . .
N3 C28 H28 120.5 . .
C25 C28 H28 120.5 . .
C28 N3 N3 111.4(4) . 2_456
C27 N1 C23 117.5(3) . .
C27 N1 Zn1 119.1(2) . .
C23 N1 Zn1 123.3(2) . .
C22 O1 Zn1 139.57(19) . .
C22 O2 Zn1 124.40(19) . 2_546
C16 O3 C15 119.7(2) . .
C5 O4 C8 118.1(2) . .
C1 O5 Zn1 84.7(2) . 2_756
C1 O6 Zn1 93.85(19) . 2_756
O1 Zn1 O2 134.70(10) . 2_546
O1 Zn1 O6 112.10(10) . 2_756
O2 Zn1 O6 110.99(10) 2_546 2_756
O1 Zn1 N1 89.78(10) . .
O2 Zn1 N1 94.04(10) 2_546 .
O6 Zn1 N1 102.56(10) 2_756 .
O1 Zn1 O5 92.37(10) . 2_756
O2 Zn1 O5 96.18(9) 2_546 2_756
O6 Zn1 O5 61.37(9) 2_756 2_756
N1 Zn1 O5 163.29(9) . 2_756
O1 Zn1 C1 103.84(10) . 2_756
O2 Zn1 C1 105.77(10) 2_546 2_756
O6 Zn1 C1 30.95(10) 2_756 2_756
N1 Zn1 C1 133.35(11) . 2_756
O5 Zn1 C1 30.42(9) 2_756 2_756
N2 C30 C31 172(2) . .
C30 C31 H31A 109.5 . .
C30 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C30 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O5 1.256(4) .
C1 O6 1.273(4) .
C1 C2 1.480(4) .
C1 Zn1 2.470(3) 2_756
C2 C3 1.383(4) .
C2 C7 1.396(4) .
C3 C4 1.381(5) .
C3 H3 0.9300 .
C4 C5 1.387(4) .
C4 H4 0.9300 .
C5 O4 1.357(4) .
C5 C6 1.388(4) .
C6 C7 1.372(5) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 O4 1.433(4) .
C8 C9 1.487(5) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C10 1.374(5) .
C9 C14 1.389(4) .
C10 C11 1.372(6) .
C10 H10 0.9300 .
C11 C12 1.383(6) .
C11 H11 0.9300 .
C12 C13 1.380(5) .
C12 H12 0.9300 .
C13 C14 1.367(4) .
C13 C15 1.505(4) .
C14 H14 0.9300 .
C15 O3 1.428(4) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 O3 1.361(3) .
C16 C21 1.384(4) .
C16 C17 1.388(4) .
C17 C18 1.366(4) .
C17 H17 0.9300 .
C18 C19 1.392(4) .
C18 H18 0.9300 .
C19 C20 1.385(4) .
C19 C22 1.489(4) .
C20 C21 1.380(4) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C22 O1 1.255(3) .
C22 O2 1.257(3) .
C23 N1 1.335(4) .
C23 C24 1.376(5) .
C23 H23 0.9300 .
C24 C25 1.364(5) .
C24 H24 0.9300 .
C25 C26 1.382(5) .
C25 C28 1.471(5) .
C26 C27 1.382(5) .
C26 H26 0.9300 .
C27 N1 1.317(4) .
C27 H27 0.9300 .
C28 N3 1.267(5) .
C28 H28 0.9300 .
N3 N3 1.414(6) 2_456
N1 Zn1 2.064(2) .
O1 Zn1 1.963(2) .
O2 Zn1 1.969(2) 2_546
O5 Zn1 2.246(2) 2_756
O6 Zn1 2.033(2) 2_756
Zn1 O2 1.969(2) 2_546
Zn1 O6 2.033(2) 2_756
Zn1 O5 2.246(2) 2_756
Zn1 C1 2.470(3) 2_756
C30 N2 1.056(17) .
C30 C31 1.43(2) .
C31 H31A 0.9600 .
C31 H31B 0.9600 .
C31 H31C 0.9600 .
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_4
O5 C1 C2 C3 -0.4(5) .
O6 C1 C2 C3 179.3(3) .
O5 C1 C2 C7 178.6(3) .
O6 C1 C2 C7 -1.7(5) .
C7 C2 C3 C4 -0.7(5) .
C1 C2 C3 C4 178.3(3) .
C2 C3 C4 C5 0.8(5) .
C3 C4 C5 O4 -179.2(3) .
C3 C4 C5 C6 -0.5(5) .
O4 C5 C6 C7 178.9(3) .
C4 C5 C6 C7 0.1(5) .
C5 C6 C7 C2 0.0(5) .
C3 C2 C7 C6 0.3(5) .
C1 C2 C7 C6 -178.8(3) .
O4 C8 C9 C10 124.4(4) .
O4 C8 C9 C14 -60.0(4) .
C14 C9 C10 C11 1.2(7) .
C8 C9 C10 C11 176.9(5) .
C9 C10 C11 C12 -0.3(10) .
C10 C11 C12 C13 0.0(10) .
C11 C12 C13 C14 -0.6(8) .
C11 C12 C13 C15 -173.9(5) .
C12 C13 C14 C9 1.6(5) .
C15 C13 C14 C9 174.9(3) .
C10 C9 C14 C13 -1.9(5) .
C8 C9 C14 C13 -177.6(3) .
C14 C13 C15 O3 -87.9(4) .
C12 C13 C15 O3 85.3(4) .
O3 C16 C17 C18 179.7(3) .
C21 C16 C17 C18 0.0(5) .
C16 C17 C18 C19 -0.6(5) .
C17 C18 C19 C20 0.5(5) .
C17 C18 C19 C22 -179.2(3) .
C18 C19 C20 C21 0.2(5) .
C22 C19 C20 C21 179.8(3) .
C19 C20 C21 C16 -0.7(5) .
O3 C16 C21 C20 -179.1(3) .
C17 C16 C21 C20 0.6(5) .
C20 C19 C22 O1 -178.8(3) .
C18 C19 C22 O1 0.8(4) .
C20 C19 C22 O2 1.4(4) .
C18 C19 C22 O2 -179.0(3) .
N1 C23 C24 C25 -1.5(7) .
C23 C24 C25 C26 -0.5(7) .
C23 C24 C25 C28 -179.5(4) .
C24 C25 C26 C27 2.3(7) .
C28 C25 C26 C27 -178.6(4) .
C25 C26 C27 N1 -2.5(7) .
C24 C25 C28 N3 -22.1(7) .
C26 C25 C28 N3 158.8(4) .
C25 C28 N3 N3 -179.2(4) 2_456
C26 C27 N1 C23 0.6(6) .
C26 C27 N1 Zn1 179.1(3) .
C24 C23 N1 C27 1.4(6) .
C24 C23 N1 Zn1 -177.0(3) .
O2 C22 O1 Zn1 -24.8(5) .
C19 C22 O1 Zn1 155.3(2) .
O1 C22 O2 Zn1 -19.1(4) 2_546
C19 C22 O2 Zn1 160.75(19) 2_546
C21 C16 O3 C15 9.1(5) .
C17 C16 O3 C15 -170.6(3) .
C13 C15 O3 C16 164.6(3) .
C4 C5 O4 C8 3.9(5) .
C6 C5 O4 C8 -174.8(3) .
C9 C8 O4 C5 172.3(3) .
O6 C1 O5 Zn1 0.4(3) 2_756
C2 C1 O5 Zn1 -179.9(3) 2_756
O5 C1 O6 Zn1 -0.5(3) 2_756
C2 C1 O6 Zn1 179.9(2) 2_756
