#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:14:35 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179781 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/77/7007742.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_7007742
loop_
_publ_author_name
'Al-Rasbi, Nawal K'
'Sabatini, Cristiana'
'Barigelletti, Francesco'
'Ward, Michael D.'
_publ_section_title
;
 Red-shifted luminescence from naphthalene-containing ligands due to
 pi-stacking in self-assembled coordination cages.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4769
_journal_page_last               4772
_journal_paper_doi               10.1039/b609809f
_journal_year                    2006
_chemical_formula_sum            'C28 H22 Cl4 N6 Zn2'
_chemical_formula_weight         715.06
_chemical_name_systematic
;
?
;
_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                102.39(3)
_cell_angle_beta                 99.86(3)
_cell_angle_gamma                106.23(3)
_cell_formula_units_Z            2
_cell_length_a                   9.2200(18)
_cell_length_b                   13.857(3)
_cell_length_c                   13.940(3)
_cell_measurement_reflns_used    7601
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      54.812
_cell_measurement_theta_min      4.749
_cell_volume                     1618.6(8)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_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      100(2)
_diffrn_detector_area_resol_mean 100
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker smart1000'
_diffrn_measurement_method       '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  0.0267
_diffrn_reflns_av_sigmaI/netI    0.0216
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            37853
_diffrn_reflns_theta_full        27.70
_diffrn_reflns_theta_max         27.70
_diffrn_reflns_theta_min         1.54
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.839
_exptl_absorpt_correction_T_max  0.8233
_exptl_absorpt_correction_T_min  0.5266
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.467
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             720
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.349
_refine_diff_density_min         -0.276
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     362
_refine_ls_number_reflns         7437
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0307
_refine_ls_R_factor_gt           0.0242
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0352P)²+0.2647P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0611
_refine_ls_wR_factor_ref         0.0631
_reflns_number_gt                6303
_reflns_number_total             7437
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b609809f.txt
_cod_data_source_block           imw605m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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        1618.6(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7007742
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.71517(2) -0.151295(14) 0.788638(14) 0.02477(6) Uani 1 1 d . . .
Zn2 Zn 1.00927(2) 0.393791(14) 0.718051(15) 0.02477(6) Uani 1 1 d . . .
Cl1 Cl 0.53733(5) -0.13515(4) 0.87432(3) 0.03739(11) Uani 1 1 d . . .
Cl2 Cl 0.63808(5) -0.24376(3) 0.62696(3) 0.03347(10) Uani 1 1 d . . .
Cl3 Cl 1.02954(6) 0.41262(4) 0.88345(4) 0.04233(12) Uani 1 1 d . . .
Cl4 Cl 1.12731(5) 0.29300(3) 0.64354(4) 0.03586(10) Uani 1 1 d . . .
N1 N 0.90106(16) -0.19040(11) 0.85335(10) 0.0253(3) Uani 1 1 d . . .
N2 N 0.88937(15) -0.00854(10) 0.82894(10) 0.0221(3) Uani 1 1 d . . .
N3 N 0.91007(15) 0.09162(10) 0.83028(10) 0.0225(3) Uani 1 1 d . . .
N4 N 0.64023(15) 0.33972(10) 0.66222(11) 0.0239(3) Uani 1 1 d . . .
N5 N 0.78784(15) 0.39246(10) 0.66327(10) 0.0226(3) Uani 1 1 d . . .
N6 N 1.05772(15) 0.52747(10) 0.66904(11) 0.0258(3) Uani 1 1 d . . .
C1 C 0.8996(2) -0.28518(14) 0.86015(13) 0.0315(4) Uani 1 1 d . . .
H1 H 0.8039 -0.3416 0.8356 0.038 Uiso 1 1 calc R . .
C2 C 1.0318(2) -0.30402(15) 0.90151(14) 0.0349(4) Uani 1 1 d . . .
H2 H 1.0278 -0.3722 0.9058 0.042 Uiso 1 1 calc R . .
C3 C 1.1708(2) -0.22167(16) 0.93677(15) 0.0376(4) Uani 1 1 d . . .
H3 H 1.2636 -0.2329 0.9658 0.045 Uiso 1 1 calc R . .
C4 C 1.1746(2) -0.12330(15) 0.92980(14) 0.0319(4) Uani 1 1 d . . .
H4 H 1.2693 -0.0660 0.9534 0.038 Uiso 1 1 calc R . .
C5 C 1.03709(18) -0.11034(13) 0.88753(11) 0.0230(3) Uani 1 1 d . . .
C6 C 1.02721(18) -0.00982(13) 0.87623(11) 0.0221(3) Uani 1 1 d . . .
C7 C 1.13740(19) 0.09034(13) 0.90798(12) 0.0264(3) Uani 1 1 d . . .
H7 H 1.2437 0.1106 0.9431 0.032 Uiso 1 1 calc R . .
C8 C 1.05806(19) 0.15287(13) 0.87716(12) 0.0267(3) Uani 1 1 d . . .
H8 H 1.0998 0.2262 0.8870 0.032 Uiso 1 1 calc R . .
C9 C 0.78287(19) 0.12497(13) 0.78999(12) 0.0252(3) Uani 1 1 d . . .
H9A H 0.8079 0.2003 0.8233 0.030 Uiso 1 1 calc R . .
H9B H 0.6878 0.0865 0.8076 0.030 Uiso 1 1 calc R . .
C10 C 0.74779(17) 0.10785(11) 0.67532(12) 0.0204(3) Uani 1 1 d . . .
C11 C 0.79312(17) 0.03678(11) 0.61263(12) 0.0206(3) Uani 1 1 d . . .
H11 H 0.8506 -0.0012 0.6422 0.025 Uiso 1 1 calc R . .
C12 C 0.75748(17) 0.01778(11) 0.50532(12) 0.0205(3) Uani 1 1 d . . .
C13 C 0.80602(18) -0.05404(12) 0.44028(12) 0.0245(3) Uani 1 1 d . . .
H13 H 0.8637 -0.0927 0.4686 0.029 Uiso 1 1 calc R . .
C14 C 0.7712(2) -0.06887(13) 0.33698(13) 0.0280(3) Uani 1 1 d . . .
H14 H 0.8064 -0.1165 0.2950 0.034 Uiso 1 1 calc R . .
C15 C 0.6838(2) -0.01376(13) 0.29349(13) 0.0283(4) Uani 1 1 d . . .
H15 H 0.6604 -0.0239 0.2222 0.034 Uiso 1 1 calc R . .
C16 C 0.63245(18) 0.05439(13) 0.35365(12) 0.0251(3) Uani 1 1 d . . .
H16 H 0.5712 0.0900 0.3235 0.030 Uiso 1 1 calc R . .
C17 C 0.66955(17) 0.07297(11) 0.46157(12) 0.0212(3) Uani 1 1 d . . .
C18 C 0.62282(17) 0.14510(12) 0.52670(12) 0.0225(3) Uani 1 1 d . . .
H18 H 0.5628 0.1821 0.4978 0.027 Uiso 1 1 calc R . .
C19 C 0.66105(17) 0.16388(11) 0.63095(12) 0.0209(3) Uani 1 1 d . . .
C20 C 0.60722(19) 0.24445(12) 0.69470(13) 0.0255(3) Uani 1 1 d . . .
H20A H 0.4938 0.2151 0.6880 0.031 Uiso 1 1 calc R . .
H20B H 0.6614 0.2610 0.7669 0.031 Uiso 1 1 calc R . .
C21 C 0.54317(19) 0.38969(13) 0.63399(14) 0.0296(4) Uani 1 1 d . . .
H21 H 0.4339 0.3676 0.6277 0.035 Uiso 1 1 calc R . .
C22 C 0.63063(19) 0.47960(13) 0.61555(14) 0.0289(4) Uani 1 1 d . . .
H22 H 0.5946 0.5313 0.5942 0.035 Uiso 1 1 calc R . .
C23 C 0.78262(18) 0.47781(12) 0.63497(12) 0.0225(3) Uani 1 1 d . . .
C24 C 0.93082(19) 0.55010(12) 0.63138(12) 0.0240(3) Uani 1 1 d . . .
C25 C 0.9418(2) 0.63420(13) 0.59201(14) 0.0317(4) Uani 1 1 d . . .
H25 H 0.8510 0.6494 0.5662 0.038 Uiso 1 1 calc R . .
C26 C 1.0884(2) 0.69651(15) 0.59069(16) 0.0406(5) Uani 1 1 d . . .
H26 H 1.0987 0.7553 0.5644 0.049 Uiso 1 1 calc R . .
C27 C 1.2173(2) 0.67285(15) 0.62732(16) 0.0403(5) Uani 1 1 d . . .
H27 H 1.3180 0.7142 0.6262 0.048 Uiso 1 1 calc R . .
C28 C 1.1982(2) 0.58745(14) 0.66613(15) 0.0345(4) Uani 1 1 d . . .
H28 H 1.2877 0.5707 0.6916 0.041 Uiso 1 1 calc R . .
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'
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
N1 Zn1 N2 79.79(6) . . ?
N1 Zn1 Cl1 118.92(4) . . ?
N2 Zn1 Cl1 108.07(5) . . ?
N1 Zn1 Cl2 106.43(5) . . ?
N2 Zn1 Cl2 118.39(5) . . ?
Cl1 Zn1 Cl2 119.23(3) . . ?
N5 Zn2 N6 79.73(6) . . ?
N5 Zn2 Cl4 126.07(5) . . ?
N6 Zn2 Cl4 107.47(4) . . ?
N5 Zn2 Cl3 104.12(5) . . ?
N6 Zn2 Cl3 118.01(5) . . ?
Cl4 Zn2 Cl3 116.77(3) . . ?
C1 N1 C5 118.99(15) . . ?
C1 N1 Zn1 126.66(13) . . ?
C5 N1 Zn1 114.29(11) . . ?
C6 N2 N3 105.66(13) . . ?
C6 N2 Zn1 113.59(11) . . ?
N3 N2 Zn1 140.51(10) . . ?
N2 N3 C8 111.11(13) . . ?
N2 N3 C9 121.85(13) . . ?
C8 N3 C9 126.97(14) . . ?
C21 N4 N5 111.01(13) . . ?
C21 N4 C20 128.98(14) . . ?
N5 N4 C20 119.93(13) . . ?
C23 N5 N4 106.23(13) . . ?
C23 N5 Zn2 113.74(11) . . ?
N4 N5 Zn2 138.76(10) . . ?
C28 N6 C24 118.85(14) . . ?
C28 N6 Zn2 126.82(12) . . ?
C24 N6 Zn2 114.21(10) . . ?
N1 C1 C2 122.20(18) . . ?
N1 C1 H1 118.9 . . ?
C2 C1 H1 118.9 . . ?
C1 C2 C3 118.61(17) . . ?
C1 C2 H2 120.7 . . ?
C3 C2 H2 120.7 . . ?
C4 C3 C2 119.95(17) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 118.15(18) . . ?
C3 C4 H4 120.9 . . ?
C5 C4 H4 120.9 . . ?
N1 C5 C4 122.10(16) . . ?
N1 C5 C6 114.98(14) . . ?
C4 C5 C6 122.92(16) . . ?
N2 C6 C7 110.90(15) . . ?
N2 C6 C5 117.25(14) . . ?
C7 C6 C5 131.83(15) . . ?
C8 C7 C6 104.63(15) . . ?
C8 C7 H7 127.7 . . ?
C6 C7 H7 127.7 . . ?
N3 C8 C7 107.69(15) . . ?
N3 C8 H8 126.2 . . ?
C7 C8 H8 126.2 . . ?
N3 C9 C10 114.30(13) . . ?
N3 C9 H9A 108.7 . . ?
C10 C9 H9A 108.7 . . ?
N3 C9 H9B 108.7 . . ?
C10 C9 H9B 108.7 . . ?
H9A C9 H9B 107.6 . . ?
C11 C10 C19 118.46(14) . . ?
C11 C10 C9 122.12(14) . . ?
C19 C10 C9 119.38(14) . . ?
C10 C11 C12 122.80(14) . . ?
C10 C11 H11 118.6 . . ?
C12 C11 H11 118.6 . . ?
C17 C12 C13 118.41(14) . . ?
C17 C12 C11 118.43(14) . . ?
C13 C12 C11 123.16(14) . . ?
C14 C13 C12 121.33(15) . . ?
C14 C13 H13 119.3 . . ?
C12 C13 H13 119.3 . . ?
C13 C14 C15 120.20(16) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 H14 119.9 . . ?
C16 C15 C14 120.01(15) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C15 C16 C17 121.00(15) . . ?
C15 C16 H16 119.5 . . ?
C17 C16 H16 119.5 . . ?
C12 C17 C18 118.19(14) . . ?
C12 C17 C16 119.02(15) . . ?
C18 C17 C16 122.79(14) . . ?
C19 C18 C17 122.52(14) . . ?
C19 C18 H18 118.7 . . ?
C17 C18 H18 118.7 . . ?
C18 C19 C10 119.58(14) . . ?
C18 C19 C20 118.51(14) . . ?
C10 C19 C20 121.91(14) . . ?
N4 C20 C19 110.62(12) . . ?
N4 C20 H20A 109.5 . . ?
C19 C20 H20A 109.5 . . ?
N4 C20 H20B 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 108.1 . . ?
N4 C21 C22 107.54(14) . . ?
N4 C21 H21 126.2 . . ?
C22 C21 H21 126.2 . . ?
C21 C22 C23 105.00(14) . . ?
C21 C22 H22 127.5 . . ?
C23 C22 H22 127.5 . . ?
N5 C23 C22 110.22(14) . . ?
N5 C23 C24 117.02(14) . . ?
C22 C23 C24 132.75(15) . . ?
N6 C24 C25 121.74(15) . . ?
N6 C24 C23 114.61(14) . . ?
C25 C24 C23 123.65(16) . . ?
C24 C25 C26 118.80(17) . . ?
C24 C25 H25 120.6 . . ?
C26 C25 H25 120.6 . . ?
C27 C26 C25 119.68(17) . . ?
C27 C26 H26 120.2 . . ?
C25 C26 H26 120.2 . . ?
C26 C27 C28 118.63(17) . . ?
C26 C27 H27 120.7 . . ?
C28 C27 H27 120.7 . . ?
N6 C28 C27 122.30(17) . . ?
N6 C28 H28 118.9 . . ?
C27 C28 H28 118.9 . . ?
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 N1 2.0602(15) . ?
Zn1 N2 2.0607(16) . ?
Zn1 Cl1 2.2195(7) . ?
Zn1 Cl2 2.2202(10) . ?
Zn2 N5 2.0470(14) . ?
Zn2 N6 2.0695(14) . ?
Zn2 Cl4 2.1974(8) . ?
Zn2 Cl3 2.2329(7) . ?
N1 C1 1.333(2) . ?
N1 C5 1.350(2) . ?
N2 C6 1.334(2) . ?
N2 N3 1.3426(18) . ?
N3 C8 1.349(2) . ?
N3 C9 1.447(2) . ?
N4 C21 1.333(2) . ?
N4 N5 1.3488(18) . ?
N4 C20 1.456(2) . ?
N5 C23 1.335(2) . ?
N6 C28 1.342(2) . ?
N6 C24 1.345(2) . ?
C1 C2 1.374(3) . ?
C1 H1 0.9500 . ?
C2 C3 1.383(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.378(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.380(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.461(2) . ?
C6 C7 1.396(2) . ?
C7 C8 1.370(2) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 C10 1.528(2) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.376(2) . ?
C10 C19 1.417(2) . ?
C11 C12 1.425(2) . ?
C11 H11 0.9500 . ?
C12 C17 1.411(2) . ?
C12 C13 1.419(2) . ?
C13 C14 1.377(2) . ?
C13 H13 0.9500 . ?
C14 C15 1.406(2) . ?
C14 H14 0.9500 . ?
C15 C16 1.366(2) . ?
C15 H15 0.9500 . ?
C16 C17 1.434(2) . ?
C16 H16 0.9500 . ?
C17 C18 1.412(2) . ?
C18 C19 1.384(2) . ?
C18 H18 0.9500 . ?
C19 C20 1.522(2) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.384(2) . ?
C21 H21 0.9500 . ?
C22 C23 1.389(2) . ?
C22 H22 0.9500 . ?
C23 C24 1.467(2) . ?
C24 C25 1.377(2) . ?
C25 C26 1.391(2) . ?
C25 H25 0.9500 . ?
C26 C27 1.365(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.384(3) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
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
N2 Zn1 N1 C1 -177.61(15) . . . . ?
Cl1 Zn1 N1 C1 77.29(15) . . . . ?
Cl2 Zn1 N1 C1 -60.84(15) . . . . ?
N2 Zn1 N1 C5 -0.51(11) . . . . ?
Cl1 Zn1 N1 C5 -105.61(11) . . . . ?
Cl2 Zn1 N1 C5 116.27(11) . . . . ?
N1 Zn1 N2 C6 -1.48(10) . . . . ?
Cl1 Zn1 N2 C6 115.78(10) . . . . ?
Cl2 Zn1 N2 C6 -104.74(10) . . . . ?
N1 Zn1 N2 N3 -174.81(16) . . . . ?
Cl1 Zn1 N2 N3 -57.54(16) . . . . ?
Cl2 Zn1 N2 N3 81.93(16) . . . . ?
C6 N2 N3 C8 0.17(16) . . . . ?
Zn1 N2 N3 C8 173.82(12) . . . . ?
C6 N2 N3 C9 -176.85(13) . . . . ?
Zn1 N2 N3 C9 -3.2(2) . . . . ?
C21 N4 N5 C23 0.06(18) . . . . ?
C20 N4 N5 C23 -176.90(14) . . . . ?
C21 N4 N5 Zn2 165.58(13) . . . . ?
C20 N4 N5 Zn2 -11.4(2) . . . . ?
N6 Zn2 N5 C23 -6.49(11) . . . . ?
Cl4 Zn2 N5 C23 -110.70(11) . . . . ?
Cl3 Zn2 N5 C23 110.04(11) . . . . ?
N6 Zn2 N5 N4 -171.28(16) . . . . ?
Cl4 Zn2 N5 N4 84.50(16) . . . . ?
Cl3 Zn2 N5 N4 -54.75(16) . . . . ?
N5 Zn2 N6 C28 -173.49(16) . . . . ?
Cl4 Zn2 N6 C28 -48.73(16) . . . . ?
Cl3 Zn2 N6 C28 85.88(16) . . . . ?
N5 Zn2 N6 C24 2.38(11) . . . . ?
Cl4 Zn2 N6 C24 127.14(11) . . . . ?
Cl3 Zn2 N6 C24 -98.25(12) . . . . ?
C5 N1 C1 C2 0.5(2) . . . . ?
Zn1 N1 C1 C2 177.46(13) . . . . ?
N1 C1 C2 C3 -0.3(3) . . . . ?
C1 C2 C3 C4 -0.1(3) . . . . ?
C2 C3 C4 C5 0.3(3) . . . . ?
C1 N1 C5 C4 -0.3(2) . . . . ?
Zn1 N1 C5 C4 -177.68(12) . . . . ?
C1 N1 C5 C6 179.61(14) . . . . ?
Zn1 N1 C5 C6 2.27(16) . . . . ?
C3 C4 C5 N1 0.0(2) . . . . ?
C3 C4 C5 C6 -179.97(16) . . . . ?
N3 N2 C6 C7 -0.14(17) . . . . ?
Zn1 N2 C6 C7 -175.74(10) . . . . ?
N3 N2 C6 C5 178.77(12) . . . . ?
Zn1 N2 C6 C5 3.17(17) . . . . ?
N1 C5 C6 N2 -3.7(2) . . . . ?
C4 C5 C6 N2 176.27(15) . . . . ?
N1 C5 C6 C7 174.95(16) . . . . ?
C4 C5 C6 C7 -5.1(3) . . . . ?
N2 C6 C7 C8 0.06(18) . . . . ?
C5 C6 C7 C8 -178.65(16) . . . . ?
N2 N3 C8 C7 -0.14(18) . . . . ?
C9 N3 C8 C7 176.70(14) . . . . ?
C6 C7 C8 N3 0.05(17) . . . . ?
N2 N3 C9 C10 -82.85(18) . . . . ?
C8 N3 C9 C10 100.63(18) . . . . ?
N3 C9 C10 C11 21.1(2) . . . . ?
N3 C9 C10 C19 -161.21(13) . . . . ?
C19 C10 C11 C12 0.4(2) . . . . ?
C9 C10 C11 C12 178.18(14) . . . . ?
C10 C11 C12 C17 -1.2(2) . . . . ?
C10 C11 C12 C13 178.90(14) . . . . ?
C17 C12 C13 C14 1.1(2) . . . . ?
C11 C12 C13 C14 -178.93(15) . . . . ?
C12 C13 C14 C15 -1.1(2) . . . . ?
C13 C14 C15 C16 -0.3(2) . . . . ?
C14 C15 C16 C17 1.5(2) . . . . ?
C13 C12 C17 C18 -179.40(13) . . . . ?
C11 C12 C17 C18 0.6(2) . . . . ?
C13 C12 C17 C16 0.1(2) . . . . ?
C11 C12 C17 C16 -179.82(13) . . . . ?
C15 C16 C17 C12 -1.5(2) . . . . ?
C15 C16 C17 C18 178.04(14) . . . . ?
C12 C17 C18 C19 0.5(2) . . . . ?
C16 C17 C18 C19 -178.97(14) . . . . ?
C17 C18 C19 C10 -1.3(2) . . . . ?
C17 C18 C19 C20 179.05(13) . . . . ?
C11 C10 C19 C18 0.8(2) . . . . ?
C9 C10 C19 C18 -177.04(13) . . . . ?
C11 C10 C19 C20 -179.57(13) . . . . ?
C9 C10 C19 C20 2.6(2) . . . . ?
C21 N4 C20 C19 125.52(18) . . . . ?
N5 N4 C20 C19 -58.13(19) . . . . ?
C18 C19 C20 N4 -46.88(19) . . . . ?
C10 C19 C20 N4 133.46(15) . . . . ?
N5 N4 C21 C22 0.0(2) . . . . ?
C20 N4 C21 C22 176.60(16) . . . . ?
N4 C21 C22 C23 0.0(2) . . . . ?
N4 N5 C23 C22 -0.09(18) . . . . ?
Zn2 N5 C23 C22 -169.72(11) . . . . ?
N4 N5 C23 C24 179.14(13) . . . . ?
Zn2 N5 C23 C24 9.52(18) . . . . ?
C21 C22 C23 N5 0.1(2) . . . . ?
C21 C22 C23 C24 -178.98(17) . . . . ?
C28 N6 C24 C25 -1.3(2) . . . . ?
Zn2 N6 C24 C25 -177.57(13) . . . . ?
C28 N6 C24 C23 178.00(15) . . . . ?
Zn2 N6 C24 C23 1.78(17) . . . . ?
N5 C23 C24 N6 -7.6(2) . . . . ?
C22 C23 C24 N6 171.41(18) . . . . ?
N5 C23 C24 C25 171.73(16) . . . . ?
C22 C23 C24 C25 -9.3(3) . . . . ?
N6 C24 C25 C26 0.5(3) . . . . ?
C23 C24 C25 C26 -178.78(17) . . . . ?
C24 C25 C26 C27 0.6(3) . . . . ?
C25 C26 C27 C28 -0.8(3) . . . . ?
C24 N6 C28 C27 1.1(3) . . . . ?
Zn2 N6 C28 C27 176.83(14) . . . . ?
C26 C27 C28 N6 -0.1(3) . . . . ?
