#------------------------------------------------------------------------------
#$Date: 2025-04-05 05:47:33 +0300 (Sat, 05 Apr 2025) $
#$Revision: 298874 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/76/7717660.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_7717660
loop_
_publ_author_name
'Romano, Giammarco Maria'
'Simonini Steiner, Yschtar Tecla'
'Bartoli, Francesco'
'Conti, Luca'
'Macedi, Eleonora'
'Bazzicalupi, Carla'
'Rossi, Patrizia'
'Paoli, Paola'
'Innocenti, Massimo'
'Bencini, Andrea'
'Savastano, Matteo'
_publ_section_title
;
 Selective binding and fluorescence sensing of Zn(II)/Cd(II) using
 macrocyclic tetra-amines with different fluorophores: insights into the
 design of selective chemosensors for transition metals.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1689
_journal_page_last               1702
_journal_paper_doi               10.1039/d4dt02415j
_journal_volume                  54
_journal_year                    2025
_chemical_formula_sum            'C28 H35 Cl2 N6 O8.5 Zn'
_chemical_formula_weight         727.89
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-08-02 deposited with the CCDC.	2024-12-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.977(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.5259(4)
_cell_length_b                   17.3495(6)
_cell_length_c                   16.8877(6)
_cell_measurement_reflns_used    7068
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.3684
_cell_measurement_theta_min      4.2163
_cell_volume                     3061.18(19)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May  8 2007,13:10:02)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May  8 2007,13:10:02)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May  8 2007,13:10:02)
;
_computing_molecular_graphics    'Mercury 3.10.1'
_computing_publication_material  'PARST(Nardelli, 1995)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SIR2004 (Burla, 2005)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 16.4547
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.861
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0419
_diffrn_reflns_av_unetI/netI     0.0502
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.861
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            24336
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.861
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         29.433
_diffrn_reflns_theta_min         4.275
_exptl_absorpt_coefficient_mu    1.039
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83766
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.579
_exptl_crystal_description       prism
_exptl_crystal_F_000             1508
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.617
_refine_diff_density_min         -0.561
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     431
_refine_ls_number_reflns         7298
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0842
_refine_ls_R_factor_gt           0.0590
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0507P)²+5.6088P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1326
_refine_ls_wR_factor_ref         0.1448
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5479
_reflns_number_total             7298
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt02415j2.cif
_cod_data_source_block           ZnL3-ClO4-05H2O
_cod_depositor_comments
'Adding full bibliography for 7717655--7717661.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C28 H35 Cl2 N6 O8.50 Zn'
_cod_database_code               7717660
_shelx_shelxl_version_number     2018/3
_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.
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.38042(4) 0.12861(2) 0.78364(2) 0.02744(12) Uani 1 1 d . . . . .
Cl1 Cl 0.72816(9) 0.14545(5) 0.07807(6) 0.0393(2) Uani 1 1 d . . . . .
O11 O 0.6409(3) 0.2015(2) 0.0981(3) 0.0925(15) Uani 1 1 d . . . . .
O12 O 0.6604(3) 0.07475(16) 0.05993(18) 0.0524(8) Uani 1 1 d . . . . .
O13 O 0.7889(3) 0.1706(2) 0.0118(2) 0.0706(10) Uani 1 1 d . . . . .
O14 O 0.8245(3) 0.1358(2) 0.1425(2) 0.0637(9) Uani 1 1 d . . . . .
Cl2 Cl 0.71928(9) 0.48268(6) 0.87556(6) 0.0417(2) Uani 1 1 d . . . . .
O21A O 0.7229(9) 0.4436(6) 0.7975(6) 0.046(2) Uiso 0.487(9) 1 d . . P A 1
O22A O 0.8308(10) 0.5294(6) 0.8926(6) 0.067(3) Uiso 0.487(9) 1 d . . P A 1
O23A O 0.7238(6) 0.4184(4) 0.9280(4) 0.050(2) Uiso 0.487(9) 1 d . . P A 1
O24A O 0.6089(8) 0.5243(5) 0.8829(6) 0.070(3) Uiso 0.487(9) 1 d . . P A 1
O21B O 0.6956(19) 0.4607(11) 0.7938(11) 0.058(6) Uiso 0.254(12) 1 d . . P A 2
O22B O 0.6472(15) 0.5540(8) 0.8509(9) 0.047(4) Uiso 0.254(12) 1 d . . P A 2
O23B O 0.6669(18) 0.4560(11) 0.9395(9) 0.068(6) Uiso 0.254(12) 1 d . . P A 2
O24B O 0.8547(11) 0.5086(8) 0.8983(8) 0.021(3) Uiso 0.254(12) 1 d . . P A 2
O21C O 0.6966(17) 0.4237(10) 0.8224(11) 0.068(5) Uiso 0.260(11) 1 d . . P A 3
O22C O 0.6076(15) 0.4899(9) 0.9292(9) 0.061(5) Uiso 0.260(11) 1 d . . P A 3
O23C O 0.706(3) 0.5585(13) 0.8425(13) 0.106(8) Uiso 0.260(11) 1 d . . P A 3
O24C O 0.8411(17) 0.4855(12) 0.9237(12) 0.076(6) Uiso 0.260(11) 1 d . . P A 3
N1 N 0.5069(3) 0.03320(17) 0.82667(19) 0.0327(7) Uani 1 1 d . . . . .
H1N H 0.481(4) 0.011(2) 0.868(3) 0.039 Uiso 1 1 d . U . . .
N2 N 0.5708(3) 0.18609(17) 0.79196(19) 0.0353(7) Uani 1 1 d . . . . .
N3 N 0.3611(3) 0.18126(19) 0.6669(2) 0.0391(8) Uani 1 1 d . . . . .
H3N H 0.326(4) 0.228(3) 0.668(3) 0.047 Uiso 1 1 d . U . . .
N4 N 0.2845(3) 0.03511(17) 0.70884(19) 0.0360(7) Uani 1 1 d . . . . .
N5 N 0.3527(3) 0.24165(16) 0.84142(18) 0.0315(7) Uani 1 1 d . . . . .
N6 N 0.2379(3) 0.08389(16) 0.85365(19) 0.0314(7) Uani 1 1 d . . . . .
C1 C 0.6376(4) 0.0591(2) 0.8492(3) 0.0394(9) Uani 1 1 d . . . . .
H1A H 0.697498 0.015913 0.844114 0.047 Uiso 1 1 calc R U . . .
H1B H 0.648085 0.076041 0.905651 0.047 Uiso 1 1 calc R U . . .
C2 C 0.6694(4) 0.1261(2) 0.7958(3) 0.0425(9) Uani 1 1 d . . . . .
H2A H 0.753168 0.148460 0.816957 0.051 Uiso 1 1 calc R U . . .
H2B H 0.676060 0.106538 0.741340 0.051 Uiso 1 1 calc R U . . .
C3 C 0.5683(4) 0.2328(2) 0.7189(3) 0.0462(10) Uani 1 1 d . . . . .
H3A H 0.657122 0.241854 0.707374 0.055 Uiso 1 1 calc R U . . .
H3B H 0.529171 0.283541 0.727531 0.055 Uiso 1 1 calc R U . . .
C4 C 0.4932(4) 0.1935(2) 0.6478(2) 0.0421(10) Uani 1 1 d . . . . .
H4A H 0.492125 0.226200 0.599671 0.050 Uiso 1 1 calc R U . . .
H4B H 0.533131 0.143495 0.637223 0.050 Uiso 1 1 calc R U . . .
C5 C 0.2810(5) 0.1357(2) 0.6073(3) 0.0472(10) Uani 1 1 d . . . . .
H5A H 0.304298 0.147138 0.553522 0.057 Uiso 1 1 calc R U . . .
H5B H 0.189960 0.149697 0.608140 0.057 Uiso 1 1 calc R U . . .
C6 C 0.2993(4) 0.0496(2) 0.6251(2) 0.0433(10) Uani 1 1 d . . . . .
H6A H 0.235209 0.019421 0.590226 0.052 Uiso 1 1 calc R U . . .
H6B H 0.385658 0.033321 0.614205 0.052 Uiso 1 1 calc R U . . .
C7 C 0.3494(4) -0.0370(2) 0.7375(2) 0.0404(9) Uani 1 1 d . . . . .
H7A H 0.338141 -0.076110 0.694552 0.049 Uiso 1 1 calc R U . . .
H7B H 0.309544 -0.057044 0.783485 0.049 Uiso 1 1 calc R U . . .
C8 C 0.4911(4) -0.0239(2) 0.7624(2) 0.0393(9) Uani 1 1 d . . . . .
H8A H 0.532568 -0.072962 0.780984 0.047 Uiso 1 1 calc R U . . .
H8B H 0.532229 -0.005193 0.716274 0.047 Uiso 1 1 calc R U . . .
C9 C 0.5840(4) 0.2348(2) 0.8625(3) 0.0403(9) Uani 1 1 d . . . . .
H9A H 0.643900 0.277380 0.854743 0.048 Uiso 1 1 calc R U . . .
H9B H 0.621802 0.204110 0.908877 0.048 Uiso 1 1 calc R U . . .
C10 C 0.4596(4) 0.2684(2) 0.8807(2) 0.0369(9) Uani 1 1 d . . . . .
C11 C 0.4601(5) 0.3239(2) 0.9415(3) 0.0476(10) Uani 1 1 d . . . . .
H11 H 0.538656 0.344069 0.966677 0.057 Uiso 1 1 calc R U . . .
C12 C 0.3475(5) 0.3482(3) 0.9639(3) 0.0562(13) Uani 1 1 d . . . . .
H12 H 0.347333 0.383323 1.007040 0.067 Uiso 1 1 calc R U . . .
C13 C 0.2301(5) 0.3216(2) 0.9232(2) 0.0431(10) Uani 1 1 d . . . . .
C14 C 0.1085(6) 0.3456(3) 0.9405(3) 0.0584(14) Uani 1 1 d . . . . .
H14 H 0.102399 0.378776 0.984661 0.070 Uiso 1 1 calc R U . . .
C15 C 0.0017(5) 0.3226(3) 0.8959(4) 0.0635(15) Uani 1 1 d . . . . .
H15 H -0.079387 0.339017 0.908785 0.076 Uiso 1 1 calc R U . . .
C16 C 0.0093(4) 0.2744(2) 0.8302(3) 0.0547(13) Uani 1 1 d . . . . .
H16 H -0.067074 0.259199 0.798088 0.066 Uiso 1 1 calc R U . . .
C17 C 0.1257(4) 0.2485(2) 0.8112(3) 0.0391(9) Uani 1 1 d . . . . .
H17 H 0.129907 0.215899 0.766440 0.047 Uiso 1 1 calc R U . . .
C18 C 0.2375(4) 0.2709(2) 0.8589(2) 0.0341(8) Uani 1 1 d . . . . .
C19 C 0.1509(4) 0.0343(2) 0.7244(3) 0.0429(10) Uani 1 1 d . . . . .
H19A H 0.114601 -0.017621 0.712427 0.051 Uiso 1 1 calc R U . . .
H19B H 0.101541 0.071501 0.688339 0.051 Uiso 1 1 calc R U . . .
C20 C 0.1366(4) 0.0548(2) 0.8098(2) 0.0367(9) Uani 1 1 d . . . . .
C21 C 0.0173(4) 0.0451(2) 0.8392(3) 0.0442(10) Uani 1 1 d . . . . .
H21 H -0.053208 0.023459 0.806143 0.053 Uiso 1 1 calc R U . . .
C22 C 0.0047(4) 0.0665(2) 0.9140(3) 0.0433(10) Uani 1 1 d . . . . .
H22 H -0.076493 0.063507 0.933042 0.052 Uiso 1 1 calc R U . . .
C23 C 0.1138(4) 0.0941(2) 0.9655(2) 0.0361(9) Uani 1 1 d . . . . .
C24 C 0.1104(4) 0.1123(2) 1.0457(3) 0.0419(10) Uani 1 1 d . . . . .
H24 H 0.031520 0.110386 1.067627 0.050 Uiso 1 1 calc R U . . .
C25 C 0.2200(4) 0.1329(2) 1.0929(3) 0.0404(9) Uani 1 1 d . . . . .
H25 H 0.217332 0.143964 1.147780 0.048 Uiso 1 1 calc R U . . .
C26 C 0.3362(4) 0.1377(2) 1.0605(2) 0.0360(8) Uani 1 1 d . . . . .
H26 H 0.411957 0.152148 1.093569 0.043 Uiso 1 1 calc R U . . .
C27 C 0.3416(3) 0.1219(2) 0.9820(2) 0.0335(8) Uani 1 1 d . . . . .
H27 H 0.420792 0.125501 0.960577 0.040 Uiso 1 1 calc R U . . .
C28 C 0.2290(3) 0.09996(18) 0.9321(2) 0.0293(7) Uani 1 1 d . . . . .
O1W O 0.5785(8) 0.6888(5) 0.8356(5) 0.078(2) Uiso 0.5 1 d . . 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'
Cl Cl 0.1484 0.1585 '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 N6 130.98(13) . . ?
N3 Zn1 N1 127.44(12) . . ?
N6 Zn1 N1 88.94(11) . . ?
N3 Zn1 N4 78.70(12) . . ?
N6 Zn1 N4 75.60(12) . . ?
N1 Zn1 N4 81.54(12) . . ?
N3 Zn1 N5 91.41(12) . . ?
N6 Zn1 N5 86.55(11) . . ?
N1 Zn1 N5 128.82(12) . . ?
N4 Zn1 N5 144.87(12) . . ?
N3 Zn1 N2 81.50(13) . . ?
N6 Zn1 N2 143.54(12) . . ?
N1 Zn1 N2 79.15(11) . . ?
N4 Zn1 N2 134.92(12) . . ?
N5 Zn1 N2 75.09(11) . . ?
O14 Cl1 O11 109.1(3) . . ?
O14 Cl1 O13 107.1(2) . . ?
O11 Cl1 O13 110.3(3) . . ?
O14 Cl1 O12 110.91(19) . . ?
O11 Cl1 O12 108.7(2) . . ?
O13 Cl1 O12 110.7(2) . . ?
O21C Cl2 O23C 115.6(12) . . ?
O24A Cl2 O23A 108.6(5) . . ?
O23B Cl2 O21B 129.9(10) . . ?
O24A Cl2 O22A 111.3(6) . . ?
O23A Cl2 O22A 110.8(5) . . ?
O21C Cl2 O24C 118.2(10) . . ?
O23C Cl2 O24C 103.1(12) . . ?
O24A Cl2 O21A 115.4(5) . . ?
O23A Cl2 O21A 101.0(5) . . ?
O22A Cl2 O21A 109.2(5) . . ?
O23B Cl2 O24B 111.4(8) . . ?
O21B Cl2 O24B 112.2(9) . . ?
O23B Cl2 O22B 105.4(10) . . ?
O21B Cl2 O22B 85.9(10) . . ?
O24B Cl2 O22B 105.0(8) . . ?
O21C Cl2 O22C 110.8(10) . . ?
O23C Cl2 O22C 96.3(11) . . ?
O24C Cl2 O22C 110.5(10) . . ?
C1 N1 C8 115.0(3) . . ?
C1 N1 Zn1 111.8(2) . . ?
C8 N1 Zn1 104.8(2) . . ?
C9 N2 C2 112.4(3) . . ?
C9 N2 C3 110.9(3) . . ?
C2 N2 C3 111.6(3) . . ?
C9 N2 Zn1 107.9(2) . . ?
C2 N2 Zn1 108.2(2) . . ?
C3 N2 Zn1 105.6(2) . . ?
C5 N3 C4 113.9(3) . . ?
C5 N3 Zn1 112.4(3) . . ?
C4 N3 Zn1 105.9(2) . . ?
C19 N4 C6 113.2(3) . . ?
C19 N4 C7 110.5(3) . . ?
C6 N4 C7 111.2(3) . . ?
C19 N4 Zn1 106.6(2) . . ?
C6 N4 Zn1 109.2(2) . . ?
C7 N4 Zn1 105.8(2) . . ?
C10 N5 C18 118.8(3) . . ?
C10 N5 Zn1 112.4(2) . . ?
C18 N5 Zn1 125.7(2) . . ?
C20 N6 C28 118.4(3) . . ?
C20 N6 Zn1 113.3(3) . . ?
C28 N6 Zn1 126.1(2) . . ?
N1 C1 C2 110.3(3) . . ?
N2 C2 C1 111.1(3) . . ?
N2 C3 C4 111.7(3) . . ?
N3 C4 C3 107.8(3) . . ?
N3 C5 C6 110.1(3) . . ?
N4 C6 C5 109.3(3) . . ?
N4 C7 C8 111.4(3) . . ?
N1 C8 C7 109.0(3) . . ?
N2 C9 C10 113.3(3) . . ?
N5 C10 C11 122.3(4) . . ?
N5 C10 C9 118.2(3) . . ?
C11 C10 C9 119.4(4) . . ?
C12 C11 C10 119.5(4) . . ?
C11 C12 C13 120.3(4) . . ?
C18 C13 C14 118.8(5) . . ?
C18 C13 C12 116.8(4) . . ?
C14 C13 C12 124.4(4) . . ?
C15 C14 C13 121.2(5) . . ?
C14 C15 C16 120.1(4) . . ?
C17 C16 C15 121.0(5) . . ?
C16 C17 C18 119.1(4) . . ?
N5 C18 C17 118.3(3) . . ?
N5 C18 C13 121.9(4) . . ?
C17 C18 C13 119.8(4) . . ?
N4 C19 C20 112.3(3) . . ?
N6 C20 C21 122.6(4) . . ?
N6 C20 C19 117.2(3) . . ?
C21 C20 C19 120.2(4) . . ?
C22 C21 C20 119.5(4) . . ?
C21 C22 C23 120.0(4) . . ?
C24 C23 C28 120.0(4) . . ?
C24 C23 C22 123.4(4) . . ?
C28 C23 C22 116.6(4) . . ?
C25 C24 C23 120.4(4) . . ?
C24 C25 C26 120.1(4) . . ?
C27 C26 C25 120.6(4) . . ?
C26 C27 C28 120.1(3) . . ?
N6 C28 C23 122.6(3) . . ?
N6 C28 C27 118.6(3) . . ?
C23 C28 C27 118.7(3) . . ?
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 2.160(3) . ?
Zn1 N6 2.164(3) . ?
Zn1 N1 2.192(3) . ?
Zn1 N4 2.222(3) . ?
Zn1 N5 2.226(3) . ?
Zn1 N2 2.227(3) . ?
Cl1 O14 1.405(4) . ?
Cl1 O11 1.406(3) . ?
Cl1 O13 1.423(3) . ?
Cl1 O12 1.433(3) . ?
Cl2 O21C 1.362(16) . ?
Cl2 O23B 1.353(15) . ?
Cl2 O24A 1.387(8) . ?
Cl2 O23C 1.43(2) . ?
Cl2 O23A 1.421(7) . ?
Cl2 O21B 1.425(19) . ?
Cl2 O22A 1.426(9) . ?
Cl2 O24C 1.434(17) . ?
Cl2 O21A 1.487(9) . ?
Cl2 O24B 1.499(11) . ?
Cl2 O22B 1.484(14) . ?
Cl2 O22C 1.574(15) . ?
N1 C1 1.454(5) . ?
N1 C8 1.465(5) . ?
N2 C9 1.454(5) . ?
N2 C2 1.466(5) . ?
N2 C3 1.475(5) . ?
N3 C5 1.464(5) . ?
N3 C4 1.480(5) . ?
N4 C19 1.461(5) . ?
N4 C6 1.463(5) . ?
N4 C7 1.478(5) . ?
N5 C10 1.320(5) . ?
N5 C18 1.379(5) . ?
N6 C20 1.322(5) . ?
N6 C28 1.368(5) . ?
C1 C2 1.533(5) . ?
C3 C4 1.517(6) . ?
C5 C6 1.531(5) . ?
C7 C8 1.517(6) . ?
C9 C10 1.498(5) . ?
C10 C11 1.407(6) . ?
C11 C12 1.354(7) . ?
C12 C13 1.416(7) . ?
C13 C18 1.407(5) . ?
C13 C14 1.409(6) . ?
C14 C15 1.336(8) . ?
C15 C16 1.401(7) . ?
C16 C17 1.379(6) . ?
C17 C18 1.398(6) . ?
C19 C20 1.510(6) . ?
C20 C21 1.415(5) . ?
C21 C22 1.340(6) . ?
C22 C23 1.436(6) . ?
C23 C24 1.395(6) . ?
C23 C28 1.402(5) . ?
C24 C25 1.367(6) . ?
C25 C26 1.403(5) . ?
C26 C27 1.361(5) . ?
C27 C28 1.420(5) . ?
