#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:22:27 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179918 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/13/7021350.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_7021350
loop_
_publ_author_name
'Anselmo, Daniele'
'Salassa, Giovanni'
'Escudero-Adán, Eduardo C'
'Martin, Eddy'
'Kleij, Arjan W.'
_publ_section_title
;
 Merging catalysis and supramolecular aggregation features of triptycene
 based Zn(salphen)s.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7962
_journal_page_last               7970
_journal_paper_doi               10.1039/c3dt00067b
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C66 H62 N4 O8 S4 Zn2'
_chemical_formula_weight         1298.18
_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                98.405(3)
_cell_angle_beta                 97.457(4)
_cell_angle_gamma                114.971(3)
_cell_formula_units_Z            1
_cell_length_a                   9.1484(7)
_cell_length_b                   10.4688(8)
_cell_length_c                   17.6146(12)
_cell_measurement_reflns_used    847
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      22.15
_cell_measurement_theta_min      2.39
_cell_volume                     1478.0(2)
_computing_cell_refinement       'Bruker APEX2 v2011.4-0'
_computing_data_collection       'Bruker APEX2 v2011.4-0'
_computing_data_reduction        'Bruker SAINT V7.60A'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_solution    Sir2011
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 512
_diffrn_detector_type            '4K CCD area detector APEX II'
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'APEX DUO Kappa 4-axis goniometer'
_diffrn_measurement_method
;
Fullsphere data collection, phi and omega scans
;
_diffrn_measurement_specimen_support 'magnetic support whith MicroMount'
_diffrn_radiation_monochromator  'Quazar MX Multilayer Optics'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0719
_diffrn_reflns_av_sigmaI/netI    0.1092
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7022
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.21
_diffrn_reflns_theta_min         1.20
_diffrn_source                   'Micorfocus source E025 IuS'
_diffrn_source_current           0.6
_diffrn_source_power             50
_diffrn_source_size              '0.2 mm x 0.2 mm fine focus'
_diffrn_source_type              'Bruker APEX DUO'
_exptl_absorpt_coefficient_mu    1.014
_exptl_absorpt_correction_T_max  0.9899
_exptl_absorpt_correction_T_min  0.9054
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
TWINABS Version 2008/0 Bruker-Nonius
Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.459
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             674
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.687
_refine_diff_density_min         -0.700
_refine_diff_density_rms         0.171
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     404
_refine_ls_number_reflns         7022
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.1066
_refine_ls_R_factor_gt           0.0589
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0671P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1227
_refine_ls_wR_factor_ref         0.1476
_reflns_number_gt                4662
_reflns_number_total             7022
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt00067b.txt
_cod_data_source_block           mo_awk1005_05m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_diffrn_measurement_specimen_suppport' tag replaced with
'_diffrn_measurement_specimen_support'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        1477.98(19)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7021350
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 0.69999(6) 0.84737(5) 0.65908(3) 0.01270(14) Uani 1 1 d . . .
S1 S 0.44991(14) 0.51349(11) 0.64892(7) 0.0223(3) Uani 1 1 d . . .
N1 N 0.7169(4) 0.8869(3) 0.54671(18) 0.0127(7) Uani 1 1 d . . .
N2 N 0.6126(4) 1.0032(3) 0.65553(18) 0.0144(7) Uani 1 1 d . . .
O1 O 0.8780(3) 0.7883(3) 0.65937(15) 0.0155(6) Uani 1 1 d . . .
O2 O 0.7251(4) 0.8936(3) 0.77423(15) 0.0189(7) Uani 1 1 d . . .
O3 O 0.4890(4) 0.6570(3) 0.62524(17) 0.0209(7) Uani 1 1 d . . .
C1 C 0.9467(5) 0.7646(4) 0.6015(2) 0.0148(8) Uani 1 1 d . . .
C2 C 1.0622(5) 0.7079(4) 0.6146(2) 0.0160(9) Uani 1 1 d . . .
C3 C 1.1398(5) 0.6827(4) 0.5554(2) 0.0181(9) Uani 1 1 d . . .
H3 H 1.2170 0.6455 0.5655 0.022 Uiso 1 1 calc R . .
C4 C 1.1076(5) 0.7105(4) 0.4814(2) 0.0183(9) Uani 1 1 d . . .
H4 H 1.1607 0.6912 0.4414 0.022 Uiso 1 1 calc R . .
C5 C 0.9980(5) 0.7661(4) 0.4677(2) 0.0163(9) Uani 1 1 d . . .
H5 H 0.9762 0.7862 0.4177 0.020 Uiso 1 1 calc R . .
C6 C 0.9162(5) 0.7943(4) 0.5262(2) 0.0134(8) Uani 1 1 d . . .
C7 C 0.8079(5) 0.8570(4) 0.5036(2) 0.0140(8) Uani 1 1 d . . .
H7 H 0.8032 0.8781 0.4530 0.017 Uiso 1 1 calc R . .
C8 C 0.6114(5) 0.9436(4) 0.5194(2) 0.0134(8) Uani 1 1 d . . .
C9 C 0.5576(5) 0.9409(4) 0.4417(2) 0.0133(8) Uani 1 1 d . . .
H9 H 0.5971 0.9013 0.4018 0.016 Uiso 1 1 calc R . .
C10 C 0.5534(5) 1.0048(4) 0.5789(2) 0.0127(8) Uani 1 1 d . . .
C11 C 0.6276(5) 1.1009(4) 0.7146(2) 0.0147(8) Uani 1 1 d . . .
H11 H 0.6047 1.1774 0.7032 0.018 Uiso 1 1 calc R . .
C12 C 0.6760(5) 1.1030(4) 0.7961(2) 0.0144(8) Uani 1 1 d . . .
C13 C 0.6782(5) 1.2162(4) 0.8521(2) 0.0171(9) Uani 1 1 d . . .
H13 H 0.6575 1.2899 0.8347 0.021 Uiso 1 1 calc R . .
C14 C 0.7094(6) 1.2208(5) 0.9305(2) 0.0213(10) Uani 1 1 d . . .
H14 H 0.7139 1.2989 0.9674 0.026 Uiso 1 1 calc R . .
C15 C 0.7347(5) 1.1107(4) 0.9563(2) 0.0195(9) Uani 1 1 d . . .
H15 H 0.7523 1.1130 1.0109 0.023 Uiso 1 1 calc R . .
C16 C 0.7349(5) 0.9983(4) 0.9044(2) 0.0153(9) Uani 1 1 d . . .
C17 C 0.7144(5) 0.9954(4) 0.8212(2) 0.0138(8) Uani 1 1 d . . .
C18 C 1.1048(5) 0.6754(4) 0.6922(2) 0.0145(8) Uani 1 1 d . . .
C19 C 0.9869(6) 0.5730(5) 0.7222(3) 0.0223(10) Uani 1 1 d . . .
H19 H 0.8759 0.5234 0.6933 0.027 Uiso 1 1 calc R . .
C20 C 1.0273(6) 0.5417(5) 0.7931(3) 0.0267(11) Uani 1 1 d . . .
H20 H 0.9445 0.4715 0.8125 0.032 Uiso 1 1 calc R . .
C21 C 1.1874(6) 0.6123(5) 0.8355(3) 0.0254(10) Uani 1 1 d . . .
H21 H 1.2154 0.5913 0.8844 0.030 Uiso 1 1 calc R . .
C22 C 1.3068(6) 0.7132(5) 0.8069(3) 0.0275(11) Uani 1 1 d . . .
H22 H 1.4177 0.7616 0.8359 0.033 Uiso 1 1 calc R . .
C23 C 1.2650(6) 0.7447(5) 0.7349(2) 0.0213(9) Uani 1 1 d . . .
H23 H 1.3480 0.8145 0.7153 0.026 Uiso 1 1 calc R . .
C24 C 0.7491(5) 0.8761(4) 0.9341(2) 0.0158(9) Uani 1 1 d . . .
C25 C 0.6481(6) 0.8130(5) 0.9842(2) 0.0237(10) Uani 1 1 d . . .
H25 H 0.5760 0.8506 0.9999 0.028 Uiso 1 1 calc R . .
C26 C 0.6508(6) 0.6967(5) 1.0113(3) 0.0292(11) Uani 1 1 d . . .
H26 H 0.5790 0.6529 1.0443 0.035 Uiso 1 1 calc R . .
C27 C 0.7596(7) 0.6442(5) 0.9901(3) 0.0320(12) Uani 1 1 d . . .
H27 H 0.7650 0.5665 1.0101 0.038 Uiso 1 1 calc R . .
C28 C 0.8591(6) 0.7045(5) 0.9402(3) 0.0269(11) Uani 1 1 d . . .
H28 H 0.9315 0.6670 0.9248 0.032 Uiso 1 1 calc R . .
C29 C 0.8541(6) 0.8200(5) 0.9123(3) 0.0219(10) Uani 1 1 d . . .
H29 H 0.9235 0.8612 0.8778 0.026 Uiso 1 1 calc R . .
C30 C 0.5810(6) 0.5554(5) 0.7428(3) 0.0241(10) Uani 1 1 d . . .
H30A H 0.6949 0.6195 0.7411 0.036 Uiso 1 1 calc R . .
H30B H 0.5755 0.4659 0.7560 0.036 Uiso 1 1 calc R . .
H30C H 0.5445 0.6036 0.7827 0.036 Uiso 1 1 calc R . .
C31 C 0.5511(6) 0.4347(5) 0.5917(3) 0.0264(11) Uani 1 1 d . . .
H31A H 0.4903 0.3997 0.5369 0.040 Uiso 1 1 calc R . .
H31B H 0.5543 0.3536 0.6122 0.040 Uiso 1 1 calc R . .
H31C H 0.6639 0.5076 0.5946 0.040 Uiso 1 1 calc R . .
S1S S 0.72511(16) 0.77930(13) 0.22396(7) 0.0196(3) Uani 0.85 1 d PDU A 1
O1S O 0.6756(6) 0.7923(9) 0.3022(4) 0.0244(11) Uani 0.85 1 d PDU A 1
C1S C 0.9245(8) 0.7866(6) 0.2428(5) 0.0348(16) Uani 0.85 1 d PDU A 1
H1S1 H 1.0003 0.8754 0.2817 0.052 Uiso 0.85 1 calc PR A 1
H1S2 H 0.9650 0.7858 0.1940 0.052 Uiso 0.85 1 calc PR A 1
H1S3 H 0.9181 0.7025 0.2632 0.052 Uiso 0.85 1 calc PR A 1
C2S C 0.7861(7) 0.9511(8) 0.1995(4) 0.0271(15) Uani 0.85 1 d PDU A 1
H2S1 H 0.6893 0.9688 0.1883 0.041 Uiso 0.85 1 calc PR A 1
H2S2 H 0.8347 0.9523 0.1530 0.041 Uiso 0.85 1 calc PR A 1
H2S3 H 0.8677 1.0267 0.2437 0.041 Uiso 0.85 1 calc PR A 1
S1S' S 0.8329(11) 0.8679(8) 0.2864(5) 0.0301(16) Uani 0.15 1 d PDU B 2
O1S' O 0.654(3) 0.788(5) 0.292(3) 0.0244(11) Uani 0.15 1 d PDU B 2
C1S' C 0.836(5) 0.960(5) 0.209(2) 0.0271(15) Uani 0.15 1 d PDU B 2
H1S4 H 0.7398 0.8997 0.1664 0.041 Uiso 0.15 1 calc PR B 2
H1S5 H 0.9372 0.9808 0.1895 0.041 Uiso 0.15 1 calc PR B 2
H1S6 H 0.8327 1.0513 0.2289 0.041 Uiso 0.15 1 calc PR B 2
C2S' C 0.883(6) 0.735(3) 0.237(3) 0.0348(16) Uani 0.15 1 d PDU B 2
H2S4 H 0.7841 0.6583 0.2010 0.052 Uiso 0.15 1 calc PR B 2
H2S5 H 0.9263 0.6946 0.2757 0.052 Uiso 0.15 1 calc PR B 2
H2S6 H 0.9673 0.7808 0.2072 0.052 Uiso 0.15 1 calc PR B 2
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'
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'
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
O1 Zn1 O2 96.39(11) . .
O1 Zn1 O3 104.02(11) . .
O2 Zn1 O3 102.48(12) . .
O1 Zn1 N1 90.26(12) . .
O2 Zn1 N1 157.44(12) . .
O3 Zn1 N1 96.73(12) . .
O1 Zn1 N2 151.27(13) . .
O2 Zn1 N2 87.01(11) . .
O3 Zn1 N2 103.04(12) . .
N1 Zn1 N2 77.14(12) . .
O3 S1 C30 106.56(18) . .
O3 S1 C31 104.5(2) . .
C30 S1 C31 98.1(2) . .
C7 N1 C8 121.9(3) . .
C7 N1 Zn1 125.1(3) . .
C8 N1 Zn1 112.9(2) . .
C11 N2 C10 121.1(3) . .
C11 N2 Zn1 126.3(3) . .
C10 N2 Zn1 112.1(2) . .
C1 O1 Zn1 129.1(3) . .
C17 O2 Zn1 132.0(3) . .
S1 O3 Zn1 129.49(17) . .
O1 C1 C2 118.3(4) . .
O1 C1 C6 124.5(4) . .
C2 C1 C6 117.2(4) . .
C3 C2 C1 120.5(4) . .
C3 C2 C18 118.2(3) . .
C1 C2 C18 121.3(4) . .
C2 C3 C4 121.9(4) . .
C5 C4 C3 118.6(4) . .
C4 C5 C6 121.6(4) . .
C5 C6 C1 120.2(4) . .
C5 C6 C7 115.0(3) . .
C1 C6 C7 124.8(4) . .
N1 C7 C6 125.5(4) . .
C9 C8 N1 126.1(3) . .
C9 C8 C10 119.2(4) . .
N1 C8 C10 114.7(3) . .
C8 C9 C10 121.0(3) . 2_676
C9 C10 N2 124.4(3) 2_676 .
C9 C10 C8 119.8(4) 2_676 .
N2 C10 C8 115.8(3) . .
N2 C11 C12 125.4(4) . .
C13 C12 C17 120.3(4) . .
C13 C12 C11 116.7(4) . .
C17 C12 C11 123.0(3) . .
C14 C13 C12 121.0(4) . .
C13 C14 C15 119.8(4) . .
C16 C15 C14 121.6(4) . .
C15 C16 C17 120.2(4) . .
C15 C16 C24 119.7(4) . .
C17 C16 C24 120.1(3) . .
O2 C17 C12 124.3(4) . .
O2 C17 C16 119.0(3) . .
C12 C17 C16 116.7(3) . .
C23 C18 C19 118.1(4) . .
C23 C18 C2 120.2(4) . .
C19 C18 C2 121.7(4) . .
C20 C19 C18 121.5(4) . .
C21 C20 C19 119.9(5) . .
C22 C21 C20 119.8(4) . .
C21 C22 C23 120.0(4) . .
C18 C23 C22 120.7(4) . .
C29 C24 C25 118.4(4) . .
C29 C24 C16 123.3(4) . .
C25 C24 C16 118.3(4) . .
C26 C25 C24 121.2(4) . .
C25 C26 C27 119.4(5) . .
C28 C27 C26 120.1(4) . .
C27 C28 C29 120.1(4) . .
C28 C29 C24 120.7(4) . .
O1S S1S C1S 106.8(3) . .
O1S S1S C2S 106.6(4) . .
C1S S1S C2S 97.2(3) . .
O1S' S1S' C1S' 106.5(8) . .
O1S' S1S' C2S' 106.2(8) . .
C1S' S1S' C2S' 97.0(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1 1.971(3) .
Zn1 O2 1.975(3) .
Zn1 O3 2.040(3) .
Zn1 N1 2.092(3) .
Zn1 N2 2.103(3) .
S1 O3 1.525(3) .
S1 C30 1.787(4) .
S1 C31 1.788(5) .
N1 C7 1.297(5) .
N1 C8 1.401(5) .
N2 C11 1.297(5) .
N2 C10 1.393(5) .
O1 C1 1.310(4) .
O2 C17 1.296(4) .
C1 C2 1.424(5) .
C1 C6 1.426(6) .
C2 C3 1.390(5) .
C2 C18 1.498(5) .
C3 C4 1.398(6) .
C4 C5 1.369(5) .
C5 C6 1.417(5) .
C6 C7 1.447(5) .
C8 C9 1.385(5) .
C8 C10 1.423(5) .
C9 C10 1.392(5) 2_676
C10 C9 1.392(5) 2_676
C11 C12 1.440(5) .
C12 C13 1.418(5) .
C12 C17 1.424(5) .
C13 C14 1.362(6) .
C14 C15 1.393(6) .
C15 C16 1.381(5) .
C16 C17 1.447(5) .
C16 C24 1.499(5) .
C18 C23 1.377(6) .
C18 C19 1.390(6) .
C19 C20 1.380(6) .
C20 C21 1.376(6) .
C21 C22 1.373(7) .
C22 C23 1.403(6) .
C24 C29 1.386(6) .
C24 C25 1.391(6) .
C25 C26 1.381(6) .
C26 C27 1.389(7) .
C27 C28 1.372(7) .
C28 C29 1.386(6) .
S1S O1S 1.510(6) .
S1S C1S 1.778(7) .
S1S C2S 1.782(6) .
S1S' O1S' 1.512(9) .
S1S' C1S' 1.779(9) .
S1S' C2S' 1.784(8) .
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
O1 Zn1 N1 C7 6.6(3) .
O2 Zn1 N1 C7 114.1(4) .
O3 Zn1 N1 C7 -97.5(3) .
N2 Zn1 N1 C7 160.6(3) .
O1 Zn1 N1 C8 -176.5(3) .
O2 Zn1 N1 C8 -69.0(4) .
O3 Zn1 N1 C8 79.3(3) .
N2 Zn1 N1 C8 -22.6(3) .
O1 Zn1 N2 C11 -82.5(4) .
O2 Zn1 N2 C11 15.4(3) .
O3 Zn1 N2 C11 117.5(3) .
N1 Zn1 N2 C11 -148.5(4) .
O1 Zn1 N2 C10 89.2(3) .
O2 Zn1 N2 C10 -173.0(3) .
O3 Zn1 N2 C10 -70.8(3) .
N1 Zn1 N2 C10 23.2(3) .
O2 Zn1 O1 C1 -168.2(3) .
O3 Zn1 O1 C1 87.2(3) .
N1 Zn1 O1 C1 -9.8(3) .
N2 Zn1 O1 C1 -72.8(4) .
O1 Zn1 O2 C17 141.8(4) .
O3 Zn1 O2 C17 -112.2(4) .
N1 Zn1 O2 C17 35.5(6) .
N2 Zn1 O2 C17 -9.5(4) .
C30 S1 O3 Zn1 25.1(3) .
C31 S1 O3 Zn1 -78.1(3) .
O1 Zn1 O3 S1 40.9(3) .
O2 Zn1 O3 S1 -59.0(2) .
N1 Zn1 O3 S1 132.9(2) .
N2 Zn1 O3 S1 -148.8(2) .
Zn1 O1 C1 C2 -173.5(3) .
Zn1 O1 C1 C6 7.7(6) .
O1 C1 C2 C3 -179.2(4) .
C6 C1 C2 C3 -0.3(6) .
O1 C1 C2 C18 0.2(6) .
C6 C1 C2 C18 179.0(4) .
C1 C2 C3 C4 -0.5(6) .
C18 C2 C3 C4 -179.8(4) .
C2 C3 C4 C5 0.9(7) .
C3 C4 C5 C6 -0.6(6) .
C4 C5 C6 C1 -0.1(6) .
C4 C5 C6 C7 178.2(4) .
O1 C1 C6 C5 179.4(4) .
C2 C1 C6 C5 0.6(6) .
O1 C1 C6 C7 1.2(7) .
C2 C1 C6 C7 -177.6(4) .
C8 N1 C7 C6 -178.0(4) .
Zn1 N1 C7 C6 -1.4(6) .
C5 C6 C7 N1 177.5(4) .
C1 C6 C7 N1 -4.3(6) .
C7 N1 C8 C9 17.5(6) .
Zn1 N1 C8 C9 -159.5(3) .
C7 N1 C8 C10 -164.5(4) .
Zn1 N1 C8 C10 18.6(4) .
N1 C8 C9 C10 177.1(4) 2_676
C10 C8 C9 C10 -0.9(7) 2_676
C11 N2 C10 C9 -29.7(6) 2_676
Zn1 N2 C10 C9 158.1(3) 2_676
C11 N2 C10 C8 151.4(4) .
Zn1 N2 C10 C8 -20.8(4) .
C9 C8 C10 C9 0.9(6) 2_676
N1 C8 C10 C9 -177.3(3) 2_676
C9 C8 C10 N2 179.8(4) .
N1 C8 C10 N2 1.6(5) .
C10 N2 C11 C12 175.3(4) .
Zn1 N2 C11 C12 -13.7(6) .
N2 C11 C12 C13 -177.3(4) .
N2 C11 C12 C17 0.3(7) .
C17 C12 C13 C14 -3.0(7) .
C11 C12 C13 C14 174.7(4) .
C12 C13 C14 C15 -2.0(7) .
C13 C14 C15 C16 2.3(7) .
C14 C15 C16 C17 2.3(7) .
C14 C15 C16 C24 -175.1(4) .
Zn1 O2 C17 C12 1.1(6) .
Zn1 O2 C17 C16 178.2(3) .
C13 C12 C17 O2 -175.6(4) .
C11 C12 C17 O2 6.9(7) .
C13 C12 C17 C16 7.2(6) .
C11 C12 C17 C16 -170.3(4) .
C15 C16 C17 O2 175.8(4) .
C24 C16 C17 O2 -6.8(6) .
C15 C16 C17 C12 -6.9(6) .
C24 C16 C17 C12 170.5(4) .
C3 C2 C18 C23 59.7(5) .
C1 C2 C18 C23 -119.6(4) .
C3 C2 C18 C19 -118.5(5) .
C1 C2 C18 C19 62.1(5) .
C23 C18 C19 C20 0.7(6) .
C2 C18 C19 C20 178.9(4) .
C18 C19 C20 C21 -0.2(7) .
C19 C20 C21 C22 -0.3(7) .
C20 C21 C22 C23 0.4(7) .
C19 C18 C23 C22 -0.6(6) .
C2 C18 C23 C22 -178.9(4) .
C21 C22 C23 C18 0.0(7) .
C15 C16 C24 C29 -134.2(4) .
C17 C16 C24 C29 48.4(6) .
C15 C16 C24 C25 47.8(6) .
C17 C16 C24 C25 -129.6(4) .
C29 C24 C25 C26 -0.4(6) .
C16 C24 C25 C26 177.6(4) .
C24 C25 C26 C27 1.8(7) .
C25 C26 C27 C28 -2.3(7) .
C26 C27 C28 C29 1.4(7) .
C27 C28 C29 C24 0.0(7) .
C25 C24 C29 C28 -0.5(6) .
C16 C24 C29 C28 -178.4(4) .
