#------------------------------------------------------------------------------
#$Date: 2016-03-25 17:09:38 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180005 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/99/7029994.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_7029994
loop_
_publ_author_name
'Martínez-Calvo, Miguel'
'Romero, María J'
'Pedrido, Rosa'
'González-Noya, Ana M'
'Zaragoza, Guillermo'
'Bermejo, Manuel R.'
_publ_section_title
;
 Metal self-recognition: a pathway to control the formation of dihelicates
 and mesocates.
;
_journal_issue                   43
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13395
_journal_page_last               13404
_journal_paper_doi               10.1039/c2dt31770b
_journal_volume                  41
_journal_year                    2012
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C48 H44 N12 S4 Zn2, 2(C H Cl3)'
_chemical_formula_sum            'C50 H46 Cl6 N12 S4 Zn2'
_chemical_formula_weight         1286.75
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_creation_date             2012-07-11T11:09:45-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                107.0830(10)
_cell_angle_beta                 104.0560(10)
_cell_angle_gamma                99.2360(10)
_cell_formula_units_Z            1
_cell_length_a                   8.9266(2)
_cell_length_b                   12.5924(3)
_cell_length_c                   13.3789(3)
_cell_measurement_reflns_used    4948
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.91
_cell_measurement_theta_min      2.43
_cell_measurement_wavelength     0.71073
_cell_volume                     1350.20(6)
_computing_cell_refinement       'APPEX2 (BRUKER AXS, 2005)'
_computing_data_collection       'APPEX2 (BRUKER AXS, 2005)'
_computing_data_reduction        'APPEX2 (BRUKER AXS, 2005)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Giacovazzo et all, 2004)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'BRUKER APPEX-II CCD'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0537
_diffrn_reflns_av_unetI/netI     0.0820
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            28152
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    1.389
_exptl_absorpt_correction_T_max  0.960
_exptl_absorpt_correction_T_min  0.730
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'BRUKER SADABS'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.582
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             656
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.572
_refine_diff_density_min         -0.777
_refine_diff_density_rms         0.11
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     342
_refine_ls_number_reflns         6659
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.1023
_refine_ls_R_factor_gt           0.0522
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0613P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1122
_refine_ls_wR_factor_ref         0.1287
_reflns_number_gt                4280
_reflns_number_total             6659
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c2dt31770b.txt
_cod_data_source_block           11ZnLPh
_cod_depositor_comments
;
The following automatic conversions were performed:
'_diffrn_radiation_monochromador' tag replaced with
'_diffrn_radiation_monochromator'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 
;
_cod_original_cell_volume        1350.20(5)
_cod_database_code               7029994
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
C1 C 0.3402(4) 0.7626(3) 0.3445(3) 0.0204(8) Uani 1 1 d .
C2 C 0.2795(4) 0.7702(3) 0.4325(3) 0.0241(8) Uani 1 1 d .
H2 H 0.2629 0.7082 0.4562 0.029 Uiso 1 1 calc R
C3 C 0.2442(5) 0.8721(3) 0.4843(3) 0.0301(9) Uani 1 1 d .
H3 H 0.2016 0.8767 0.5418 0.036 Uiso 1 1 calc R
C4 C 0.2703(6) 0.9652(4) 0.4529(3) 0.0383(11) Uani 1 1 d .
H4 H 0.2468 1.0325 0.4893 0.046 Uiso 1 1 calc R
C5 C 0.3323(5) 0.9589(3) 0.3661(3) 0.0299(10) Uani 1 1 d .
H5 H 0.35 1.0222 0.3443 0.036 Uiso 1 1 calc R
C6 C 0.3675(5) 0.8596(3) 0.3125(3) 0.0253(9) Uani 1 1 d .
H6 H 0.4096 0.8562 0.2548 0.03 Uiso 1 1 calc R
C7 C 0.3653(4) 0.5575(3) 0.2872(3) 0.0186(8) Uani 1 1 d .
C8 C 0.2813(4) 0.2730(3) 0.4397(3) 0.0213(8) Uani 1 1 d .
H8A H 0.3356 0.2399 0.3894 0.032 Uiso 1 1 calc R
H8B H 0.1736 0.2276 0.4162 0.032 Uiso 1 1 calc R
H8C H 0.3354 0.2749 0.5119 0.032 Uiso 1 1 calc R
C9 C 0.2802(4) 0.3932(3) 0.4426(3) 0.0166(7) Uani 1 1 d .
C10 C 0.2332(4) 0.4654(3) 0.5328(3) 0.0169(7) Uani 1 1 d .
C11 C 0.1114(4) 0.4139(3) 0.5664(3) 0.0213(8) Uani 1 1 d .
H11 H 0.0637 0.3358 0.532 0.026 Uiso 1 1 calc R
C12 C 0.0618(4) 0.4773(3) 0.6495(3) 0.0232(8) Uani 1 1 d .
H12 H -0.0199 0.4419 0.6697 0.028 Uiso 1 1 calc R
C13 C 0.1327(4) 0.5932(3) 0.7031(3) 0.0202(8) Uani 1 1 d .
H13 H 0.0964 0.6361 0.7574 0.024 Uiso 1 1 calc R
C14 C 0.2590(4) 0.6457(3) 0.6756(3) 0.0186(8) Uani 1 1 d .
C15 C 0.3057(4) 0.5817(3) 0.5893(3) 0.0159(7) Uani 1 1 d .
H15 H 0.3871 0.6174 0.5692 0.019 Uiso 1 1 calc R
C16 C 0.2443(4) 0.8534(3) 0.7648(3) 0.0234(8) Uani 1 1 d .
H16A H 0.2531 0.8756 0.8415 0.035 Uiso 1 1 calc R
H16B H 0.1346 0.8195 0.7217 0.035 Uiso 1 1 calc R
H16C H 0.2836 0.9199 0.7484 0.035 Uiso 1 1 calc R
C17 C 0.3407(4) 0.7681(3) 0.7380(3) 0.0182(8) Uani 1 1 d .
C18 C 0.7166(4) 0.9396(3) 0.8760(3) 0.0190(8) Uani 1 1 d .
C19 C 0.7274(4) 1.1487(3) 0.9565(3) 0.0206(8) Uani 1 1 d .
C20 C 0.5700(5) 1.1460(3) 0.9553(3) 0.0238(8) Uani 1 1 d .
H20 H 0.4982 1.0769 0.9403 0.029 Uiso 1 1 calc R
C21 C 0.5220(5) 1.2473(3) 0.9767(3) 0.0262(9) Uani 1 1 d .
H21 H 0.4168 1.2454 0.9751 0.031 Uiso 1 1 calc R
C22 C 0.6254(5) 1.3501(3) 0.9999(3) 0.0287(9) Uani 1 1 d .
H22 H 0.5911 1.4174 1.0147 0.034 Uiso 1 1 calc R
C23 C 0.7818(5) 1.3534(3) 1.0014(3) 0.0295(9) Uani 1 1 d .
H23 H 0.8525 1.423 1.0162 0.035 Uiso 1 1 calc R
C24 C 0.8327(5) 1.2537(3) 0.9809(3) 0.0276(9) Uani 1 1 d .
H24 H 0.9383 1.2566 0.9834 0.033 Uiso 1 1 calc R
C25 C 0.0911(5) 0.2036(4) 0.7596(3) 0.0378(11) Uani 1 1 d .
H25 H -0.0134 0.1978 0.7105 0.045 Uiso 1 1 calc R
N1 N 0.3743(4) 0.6644(3) 0.2814(2) 0.0226(7) Uani 1 1 d D
H1N H 0.413(4) 0.672(3) 0.232(2) 0.027 Uiso 1 1 d D
N2 N 0.3271(3) 0.5358(2) 0.3691(2) 0.0167(6) Uani 1 1 d .
N3 N 0.3225(3) 0.4230(2) 0.3664(2) 0.0162(6) Uani 1 1 d .
N4 N 0.4952(3) 0.7956(2) 0.7705(2) 0.0158(6) Uani 1 1 d .
N5 N 0.5629(3) 0.9116(2) 0.8300(2) 0.0175(6) Uani 1 1 d .
N6 N 0.7898(4) 1.0512(3) 0.9381(2) 0.0215(7) Uani 1 1 d .
H6N H 0.886(5) 1.066(3) 0.956(3) 0.026 Uiso 1 1 d .
S1 S 0.40936(14) 0.46583(9) 0.17717(8) 0.0302(3) Uani 1 1 d .
S2 S 0.84715(11) 0.84911(8) 0.86934(8) 0.0254(2) Uani 1 1 d .
Zn1 Zn 0.35587(5) 0.31271(3) 0.22879(3) 0.01748(13) Uani 1 1 d .
Cl1 Cl 0.15326(15) 0.33670(10) 0.86802(10) 0.0467(3) Uani 1 1 d .
Cl2 Cl 0.07559(14) 0.08982(10) 0.81081(9) 0.0418(3) Uani 1 1 d .
Cl3 Cl 0.22864(17) 0.19416(12) 0.68532(10) 0.0558(4) Uani 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 0 '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'
S S 0.1246 0.1234 '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'
Cl Cl 0.1484 0.1585 '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
C2 C1 N1 125.5(3) . .
C2 C1 C6 118.9(3) . .
N1 C1 C6 115.7(3) . .
C3 C2 C1 119.0(4) . .
C3 C2 H2 120.5 . .
C1 C2 H2 120.5 . .
C4 C3 C2 121.8(4) . .
C4 C3 H3 119.1 . .
C2 C3 H3 119.1 . .
C3 C4 C5 119.6(4) . .
C3 C4 H4 120.2 . .
C5 C4 H4 120.2 . .
C6 C5 C4 120.3(4) . .
C6 C5 H5 119.9 . .
C4 C5 H5 119.9 . .
C5 C6 C1 120.4(3) . .
C5 C6 H6 119.8 . .
C1 C6 H6 119.8 . .
N2 C7 N1 119.2(3) . .
N2 C7 S1 129.1(3) . .
N1 C7 S1 111.8(2) . .
C9 C8 H8A 109.5 . .
C9 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C9 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
N3 C9 C10 126.9(3) . .
N3 C9 C8 116.7(3) . .
C10 C9 C8 116.5(3) . .
C15 C10 C11 117.6(3) . .
C15 C10 C9 123.7(3) . .
C11 C10 C9 118.6(3) . .
C12 C11 C10 121.1(3) . .
C12 C11 H11 119.4 . .
C10 C11 H11 119.4 . .
C11 C12 C13 120.4(3) . .
C11 C12 H12 119.8 . .
C13 C12 H12 119.8 . .
C12 C13 C14 119.9(3) . .
C12 C13 H13 120.1 . .
C14 C13 H13 120.1 . .
C13 C14 C15 119.3(3) . .
C13 C14 C17 119.5(3) . .
C15 C14 C17 121.2(3) . .
C10 C15 C14 121.5(3) . .
C10 C15 H15 119.2 . .
C14 C15 H15 119.2 . .
C17 C16 H16A 109.5 . .
C17 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C17 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
N4 C17 C14 117.4(3) . .
N4 C17 C16 122.8(3) . .
C14 C17 C16 119.8(3) . .
N5 C18 N6 118.4(3) . .
N5 C18 S2 127.8(3) . .
N6 C18 S2 113.8(3) . .
C24 C19 C20 119.0(3) . .
C24 C19 N6 117.0(3) . .
C20 C19 N6 124.0(3) . .
C21 C20 C19 119.3(4) . .
C21 C20 H20 120.3 . .
C19 C20 H20 120.3 . .
C22 C21 C20 121.5(4) . .
C22 C21 H21 119.2 . .
C20 C21 H21 119.2 . .
C21 C22 C23 119.5(4) . .
C21 C22 H22 120.3 . .
C23 C22 H22 120.3 . .
C24 C23 C22 120.1(4) . .
C24 C23 H23 120 . .
C22 C23 H23 120 . .
C23 C24 C19 120.6(4) . .
C23 C24 H24 119.7 . .
C19 C24 H24 119.7 . .
Cl3 C25 Cl2 109.6(2) . .
Cl3 C25 Cl1 109.6(2) . .
Cl2 C25 Cl1 110.6(2) . .
Cl3 C25 H25 109 . .
Cl2 C25 H25 109 . .
Cl1 C25 H25 109 . .
C7 N1 C1 132.8(3) . .
C7 N1 H1N 112(3) . .
C1 N1 H1N 116(3) . .
C7 N2 N3 113.9(3) . .
C9 N3 N2 117.8(3) . .
C9 N3 Zn1 125.4(2) . .
N2 N3 Zn1 116.2(2) . .
C17 N4 N5 113.9(3) . .
C17 N4 Zn1 127.7(2) . 2_666
N5 N4 Zn1 117.2(2) . 2_666
C18 N5 N4 115.4(3) . .
C18 N6 C19 130.1(3) . .
C18 N6 H6N 115(3) . .
C19 N6 H6N 114(3) . .
C7 S1 Zn1 93.16(12) . .
C18 S2 Zn1 93.07(12) . 2_666
N4 Zn1 N3 125.87(11) 2_666 .
N4 Zn1 S1 120.84(8) 2_666 .
N3 Zn1 S1 87.23(8) . .
N4 Zn1 S2 86.31(8) 2_666 2_666
N3 Zn1 S2 115.53(8) . 2_666
S1 Zn1 S2 125.46(4) . 2_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.397(5) .
C1 N1 1.402(5) .
C1 C6 1.413(5) .
C2 C3 1.392(5) .
C2 H2 0.93 .
C3 C4 1.361(6) .
C3 H3 0.93 .
C4 C5 1.391(6) .
C4 H4 0.93 .
C5 C6 1.373(5) .
C5 H5 0.93 .
C6 H6 0.93 .
C7 N2 1.310(4) .
C7 N1 1.362(5) .
C7 S1 1.756(4) .
C8 C9 1.504(5) .
C8 H8A 0.96 .
C8 H8B 0.96 .
C8 H8C 0.96 .
C9 N3 1.300(4) .
C9 C10 1.478(5) .
C10 C15 1.393(5) .
C10 C11 1.410(5) .
C11 C12 1.378(5) .
C11 H11 0.93 .
C12 C13 1.383(5) .
C12 H12 0.93 .
C13 C14 1.396(5) .
C13 H13 0.93 .
C14 C15 1.397(5) .
C14 C17 1.480(5) .
C15 H15 0.93 .
C16 C17 1.497(5) .
C16 H16A 0.96 .
C16 H16B 0.96 .
C16 H16C 0.96 .
C17 N4 1.296(4) .
C18 N5 1.301(4) .
C18 N6 1.360(5) .
C18 S2 1.756(4) .
C19 C24 1.392(5) .
C19 C20 1.396(5) .
C19 N6 1.408(5) .
C20 C21 1.383(5) .
C20 H20 0.93 .
C21 C22 1.366(6) .
C21 H21 0.93 .
C22 C23 1.385(6) .
C22 H22 0.93 .
C23 C24 1.378(5) .
C23 H23 0.93 .
C24 H24 0.93 .
C25 Cl3 1.755(4) .
C25 Cl2 1.760(5) .
C25 Cl1 1.762(4) .
C25 H25 0.98 .
N1 H1N 0.840(18) .
N2 N3 1.404(4) .
N3 Zn1 2.074(3) .
N4 N5 1.391(4) .
N4 Zn1 2.052(3) 2_666
N6 H6N 0.81(4) .
S1 Zn1 2.2516(11) .
S2 Zn1 2.2907(10) 2_666
Zn1 N4 2.052(3) 2_666
Zn1 S2 2.2907(10) 2_666
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N6 H6N S2 0.81(4) 2.70(4) 3.384(3) 144(4) 2_777
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_4
N1 C1 C2 C3 -176.9(3) . .
C6 C1 C2 C3 1.6(5) . .
C1 C2 C3 C4 -1.4(6) . .
C2 C3 C4 C5 0.7(6) . .
C3 C4 C5 C6 -0.2(6) . .
C4 C5 C6 C1 0.4(6) . .
C2 C1 C6 C5 -1.1(5) . .
N1 C1 C6 C5 177.5(3) . .
N3 C9 C10 C15 -38.4(5) . .
C8 C9 C10 C15 140.7(3) . .
N3 C9 C10 C11 143.6(4) . .
C8 C9 C10 C11 -37.3(4) . .
C15 C10 C11 C12 2.4(5) . .
C9 C10 C11 C12 -179.5(3) . .
C10 C11 C12 C13 -1.0(5) . .
C11 C12 C13 C14 -2.2(5) . .
C12 C13 C14 C15 3.8(5) . .
C12 C13 C14 C17 -176.2(3) . .
C11 C10 C15 C14 -0.6(5) . .
C9 C10 C15 C14 -178.7(3) . .
C13 C14 C15 C10 -2.5(5) . .
C17 C14 C15 C10 177.6(3) . .
C13 C14 C17 N4 133.5(3) . .
C15 C14 C17 N4 -46.6(5) . .
C13 C14 C17 C16 -44.2(5) . .
C15 C14 C17 C16 135.7(3) . .
C24 C19 C20 C21 1.0(5) . .
N6 C19 C20 C21 178.7(3) . .
C19 C20 C21 C22 -0.7(5) . .
C20 C21 C22 C23 0.6(5) . .
C21 C22 C23 C24 -0.8(5) . .
C22 C23 C24 C19 1.3(6) . .
C20 C19 C24 C23 -1.3(5) . .
N6 C19 C24 C23 -179.1(3) . .
N2 C7 N1 C1 -4.9(6) . .
S1 C7 N1 C1 175.2(3) . .
C2 C1 N1 C7 -2.3(7) . .
C6 C1 N1 C7 179.2(4) . .
N1 C7 N2 N3 -179.7(3) . .
S1 C7 N2 N3 0.3(5) . .
C10 C9 N3 N2 1.0(5) . .
C8 C9 N3 N2 -178.1(3) . .
C10 C9 N3 Zn1 -170.6(2) . .
C8 C9 N3 Zn1 10.3(4) . .
C7 N2 N3 C9 -177.7(3) . .
C7 N2 N3 Zn1 -5.4(4) . .
C14 C17 N4 N5 -179.1(3) . .
C16 C17 N4 N5 -1.4(4) . .
C14 C17 N4 Zn1 -12.2(4) . 2_666
C16 C17 N4 Zn1 165.4(2) . 2_666
N6 C18 N5 N4 -178.1(3) . .
S2 C18 N5 N4 1.4(4) . .
C17 N4 N5 C18 171.3(3) . .
Zn1 N4 N5 C18 3.1(4) 2_666 .
N5 C18 N6 C19 -5.2(6) . .
S2 C18 N6 C19 175.2(3) . .
C24 C19 N6 C18 -152.3(4) . .
C20 C19 N6 C18 30.0(6) . .
N2 C7 S1 Zn1 4.0(3) . .
N1 C7 S1 Zn1 -176.0(3) . .
N5 C18 S2 Zn1 -4.2(3) . 2_666
N6 C18 S2 Zn1 175.3(2) . 2_666
C9 N3 Zn1 N4 -55.2(3) . 2_666
N2 N3 Zn1 N4 133.1(2) . 2_666
C9 N3 Zn1 S1 178.0(3) . .
N2 N3 Zn1 S1 6.4(2) . .
C9 N3 Zn1 S2 49.7(3) . 2_666
N2 N3 Zn1 S2 -122.0(2) . 2_666
C7 S1 Zn1 N4 -135.46(15) . 2_666
C7 S1 Zn1 N3 -4.60(14) . .
C7 S1 Zn1 S2 115.09(12) . 2_666
