#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:41:51 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179858 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/54/7015491.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_7015491
loop_
_publ_author_name
'Qian, Jing'
'Wang, Liping'
'Gu, Wen'
'Liu, Xin'
'Tian, Jinlei'
'Yan, Shiping'
_publ_section_title
;
 Efficient double-strand cleavage of DNA mediated by Zn(ii)-based
 artificial nucleases.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5617
_journal_page_last               5624
_journal_paper_doi               10.1039/c0dt01659d
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C29 H38 Cl2 N6 O15 Zn2'
_chemical_formula_weight         912.29
_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                90.705(3)
_cell_angle_beta                 107.070(2)
_cell_angle_gamma                103.628(2)
_cell_formula_units_Z            1
_cell_length_a                   8.5051(16)
_cell_length_b                   9.3340(18)
_cell_length_c                   12.880(3)
_cell_measurement_reflns_used    3340
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.22
_cell_measurement_theta_min      2.86
_cell_volume                     946.3(3)
_computing_cell_refinement       'Bruker SMART APEX II'
_computing_data_collection       'Bruker SMART APEX II'
_computing_data_reduction        'Bruker SAINT'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'APEX II CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0140
_diffrn_reflns_av_sigmaI/netI    0.0289
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5168
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.25
_exptl_absorpt_coefficient_mu    1.483
_exptl_absorpt_correction_T_max  0.8421
_exptl_absorpt_correction_T_min  0.7172
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.601
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             468
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.787
_refine_diff_density_min         -0.336
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     302
_refine_ls_number_reflns         3294
_refine_ls_number_restraints     93
_refine_ls_restrained_S_all      1.148
_refine_ls_R_factor_all          0.0487
_refine_ls_R_factor_gt           0.0404
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0734P)²+0.5511P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1129
_refine_ls_wR_factor_ref         0.1178
_reflns_number_gt                2816
_reflns_number_total             3294
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01659d.txt
_cod_data_source_block           60317a
_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.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed
to 'multi-scan' 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 1555 2011-01-17 13:19:09Z saulius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7015491
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 0.73670(5) 0.67163(4) 0.68208(3) 0.03526(18) Uani 1 1 d . . .
O1 O 1.0056(4) 0.7293(3) 0.7221(3) 0.0555(8) Uani 1 1 d . . .
H1A H 1.0567 0.6651 0.7116 0.083 Uiso 1 1 d R . .
H1B H 1.0637 0.8188 0.7338 0.083 Uiso 1 1 d R . .
O2 O 0.4575(3) 0.5814(3) 0.6076(2) 0.0410(6) Uani 1 1 d . . .
O3 O 0.2780(3) 0.4540(3) 0.4546(2) 0.0413(6) Uani 1 1 d . . .
N1 N 0.7522(4) 0.5223(3) 0.8050(3) 0.0419(8) Uani 1 1 d . . .
N2 N 0.6869(4) 0.7927(3) 0.8112(3) 0.0382(7) Uani 1 1 d . . .
N3 N 0.7195(4) 0.8756(3) 0.6167(3) 0.0383(7) Uani 1 1 d . . .
C1 C 0.8310(6) 0.4129(4) 0.8145(4) 0.0505(10) Uani 1 1 d . . .
H1 H 0.8761 0.3931 0.7599 0.061 Uiso 1 1 calc R . .
C2 C 0.8478(7) 0.3287(5) 0.9019(4) 0.0621(13) Uani 1 1 d . . .
H2 H 0.8997 0.2509 0.9052 0.075 Uiso 1 1 calc R . .
C3 C 0.7868(7) 0.3616(6) 0.9838(4) 0.0676(14) Uani 1 1 d . . .
H3 H 0.7980 0.3070 1.0443 0.081 Uiso 1 1 calc R . .
C4 C 0.7086(6) 0.4759(5) 0.9762(4) 0.0567(11) Uani 1 1 d . . .
H4 H 0.6680 0.5006 1.0319 0.068 Uiso 1 1 calc R . .
C5 C 0.6912(5) 0.5538(4) 0.8846(3) 0.0442(9) Uani 1 1 d . . .
C6 C 0.6009(5) 0.6772(5) 0.8674(3) 0.0477(10) Uani 1 1 d . . .
H6A H 0.4833 0.6386 0.8238 0.057 Uiso 1 1 calc R . .
H6B H 0.6028 0.7192 0.9371 0.057 Uiso 1 1 calc R . .
C7 C 0.8444(6) 0.8844(5) 0.8884(3) 0.0508(10) Uani 1 1 d . . .
H7A H 0.9005 0.9571 0.8503 0.076 Uiso 1 1 calc R . .
H7B H 0.9181 0.8226 0.9207 0.076 Uiso 1 1 calc R . .
H7C H 0.8172 0.9332 0.9444 0.076 Uiso 1 1 calc R . .
C8 C 0.5782(5) 0.8874(5) 0.7532(3) 0.0454(9) Uani 1 1 d . . .
H8A H 0.5754 0.9632 0.8044 0.054 Uiso 1 1 calc R . .
H8B H 0.4631 0.8282 0.7199 0.054 Uiso 1 1 calc R . .
C9 C 0.6495(5) 0.9585(4) 0.6666(3) 0.0402(9) Uani 1 1 d . . .
C10 C 0.6425(6) 1.0999(5) 0.6387(4) 0.0531(11) Uani 1 1 d . . .
H10 H 0.5921 1.1558 0.6731 0.064 Uiso 1 1 calc R . .
C11 C 0.7114(6) 1.1564(5) 0.5592(4) 0.0615(13) Uani 1 1 d . . .
H11 H 0.7108 1.2524 0.5410 0.074 Uiso 1 1 calc R . .
C12 C 0.7809(6) 1.0715(5) 0.5070(4) 0.0567(12) Uani 1 1 d . . .
H12 H 0.8261 1.1077 0.4522 0.068 Uiso 1 1 calc R . .
C13 C 0.7820(5) 0.9301(5) 0.5380(3) 0.0469(10) Uani 1 1 d . . .
H13 H 0.8281 0.8711 0.5026 0.056 Uiso 1 1 calc R . .
C14 C 0.4243(4) 0.5100(4) 0.5186(3) 0.0335(8) Uani 1 1 d . . .
C15 C 0.0955(16) 0.5591(16) 0.5955(10) 0.101(4) Uani 0.50 1 d PDU . .
H15A H -0.0007 0.5943 0.5983 0.152 Uiso 0.50 1 calc PR . .
H15B H 0.0579 0.4728 0.5447 0.152 Uiso 0.50 1 calc PR . .
H15C H 0.1728 0.6350 0.5725 0.152 Uiso 0.50 1 calc PR . .
O4 O 0.1731(10) 0.5251(8) 0.6931(9) 0.085(2) Uani 0.50 1 d PDU . .
H4A H 0.1380 0.4365 0.6978 0.127 Uiso 0.50 1 calc PR . .
Cl1 Cl 0.2483(2) 0.1545(2) 0.78857(15) 0.0612(6) Uani 0.75 1 d PDU A 1
O5 O 0.1598(10) 0.0244(7) 0.7176(5) 0.123(2) Uani 0.75 1 d PDU A 1
O6 O 0.3609(11) 0.2451(9) 0.7375(8) 0.153(3) Uani 0.75 1 d PDU A 1
O7 O 0.1333(13) 0.2261(13) 0.8104(10) 0.199(6) Uani 0.75 1 d PDU A 1
O8 O 0.3513(14) 0.1110(13) 0.8886(6) 0.207(5) Uani 0.75 1 d PDU A 1
Cl1' Cl 0.243(2) 0.140(2) 0.7923(14) 0.258(12) Uani 0.25 1 d PDU B 2
O5' O 0.220(4) -0.0128(19) 0.817(3) 0.205(14) Uani 0.25 1 d PDU B 2
O6' O 0.144(4) 0.149(4) 0.6824(14) 0.31(3) Uani 0.25 1 d PDU B 2
O7' O 0.188(3) 0.218(3) 0.8656(18) 0.106(7) Uani 0.25 1 d PDU B 2
O8' O 0.420(2) 0.204(2) 0.809(2) 0.126(8) Uani 0.25 1 d PDU 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'
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
O3 Zn1 N3 100.50(12) 2_666 . ?
O3 Zn1 N1 104.01(12) 2_666 . ?
N3 Zn1 N1 155.42(13) . . ?
O3 Zn1 O1 89.45(11) 2_666 . ?
N3 Zn1 O1 92.19(12) . . ?
N1 Zn1 O1 89.76(12) . . ?
O3 Zn1 N2 166.45(11) 2_666 . ?
N3 Zn1 N2 77.77(12) . . ?
N1 Zn1 N2 77.99(12) . . ?
O1 Zn1 N2 104.00(12) . . ?
O3 Zn1 O2 77.44(10) 2_666 . ?
N3 Zn1 O2 90.32(11) . . ?
N1 Zn1 O2 93.30(12) . . ?
O1 Zn1 O2 166.89(11) . . ?
N2 Zn1 O2 89.10(11) . . ?
Zn1 O1 H1A 119.9 . . ?
Zn1 O1 H1B 122.3 . . ?
H1A O1 H1B 116.2 . . ?
C14 O2 Zn1 111.3(2) . . ?
C14 O3 Zn1 116.7(2) . 2_666 ?
C1 N1 C5 119.0(4) . . ?
C1 N1 Zn1 126.0(3) . . ?
C5 N1 Zn1 114.6(3) . . ?
C7 N2 C6 110.4(3) . . ?
C7 N2 C8 110.3(3) . . ?
C6 N2 C8 113.7(3) . . ?
C7 N2 Zn1 112.2(3) . . ?
C6 N2 Zn1 105.1(2) . . ?
C8 N2 Zn1 104.9(2) . . ?
C13 N3 C9 119.3(3) . . ?
C13 N3 Zn1 125.7(3) . . ?
C9 N3 Zn1 114.8(3) . . ?
N1 C1 C2 122.4(5) . . ?
N1 C1 H1 118.8 . . ?
C2 C1 H1 118.8 . . ?
C3 C2 C1 118.6(5) . . ?
C3 C2 H2 120.7 . . ?
C1 C2 H2 120.7 . . ?
C2 C3 C4 119.5(4) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C3 C4 C5 119.0(5) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 H4 120.5 . . ?
N1 C5 C4 121.4(4) . . ?
N1 C5 C6 116.0(3) . . ?
C4 C5 C6 122.6(4) . . ?
N2 C6 C5 109.2(3) . . ?
N2 C6 H6A 109.8 . . ?
C5 C6 H6A 109.8 . . ?
N2 C6 H6B 109.8 . . ?
C5 C6 H6B 109.8 . . ?
H6A C6 H6B 108.3 . . ?
N2 C7 H7A 109.5 . . ?
N2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
N2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N2 C8 C9 108.9(3) . . ?
N2 C8 H8A 109.9 . . ?
C9 C8 H8A 109.9 . . ?
N2 C8 H8B 109.9 . . ?
C9 C8 H8B 109.9 . . ?
H8A C8 H8B 108.3 . . ?
N3 C9 C10 121.3(4) . . ?
N3 C9 C8 116.0(3) . . ?
C10 C9 C8 122.7(4) . . ?
C11 C10 C9 118.9(4) . . ?
C11 C10 H10 120.6 . . ?
C9 C10 H10 120.6 . . ?
C12 C11 C10 120.0(4) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C12 C13 118.2(4) . . ?
C11 C12 H12 120.9 . . ?
C13 C12 H12 120.9 . . ?
N3 C13 C12 122.3(4) . . ?
N3 C13 H13 118.8 . . ?
C12 C13 H13 118.8 . . ?
O2 C14 O3 125.8(3) . . ?
O2 C14 C14 117.5(4) . 2_666 ?
O3 C14 C14 116.7(4) . 2_666 ?
O4 C15 H15A 109.5 . . ?
O4 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
O4 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C15 O4 H4A 109.5 . . ?
O7 Cl1 O5 110.2(6) . . ?
O7 Cl1 O6 112.8(6) . . ?
O5 Cl1 O6 107.4(5) . . ?
O7 Cl1 O8 110.5(6) . . ?
O5 Cl1 O8 107.8(5) . . ?
O6 Cl1 O8 108.0(5) . . ?
O7' Cl1' O8' 108.9(9) . . ?
O7' Cl1' O6' 109.4(9) . . ?
O8' Cl1' O6' 110.9(10) . . ?
O7' Cl1' O5' 108.7(9) . . ?
O8' Cl1' O5' 108.8(9) . . ?
O6' Cl1' O5' 110.1(10) . . ?
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 O3 2.059(3) 2_666 ?
Zn1 N3 2.110(3) . ?
Zn1 N1 2.118(3) . ?
Zn1 O1 2.123(3) . ?
Zn1 N2 2.194(3) . ?
Zn1 O2 2.229(3) . ?
O1 H1A 0.8498 . ?
O1 H1B 0.8501 . ?
O2 C14 1.241(4) . ?
O3 C14 1.258(4) . ?
O3 Zn1 2.059(3) 2_666 ?
N1 C1 1.335(5) . ?
N1 C5 1.336(5) . ?
N2 C7 1.474(5) . ?
N2 C6 1.476(5) . ?
N2 C8 1.480(5) . ?
N3 C13 1.331(5) . ?
N3 C9 1.340(5) . ?
C1 C2 1.374(6) . ?
C1 H1 0.9300 . ?
C2 C3 1.366(8) . ?
C2 H2 0.9300 . ?
C3 C4 1.375(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.383(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.514(6) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C9 1.510(6) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.382(6) . ?
C10 C11 1.374(7) . ?
C10 H10 0.9300 . ?
C11 C12 1.368(7) . ?
C11 H11 0.9300 . ?
C12 C13 1.385(6) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C14 1.547(7) 2_666 ?
C15 O4 1.318(9) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
O4 H4A 0.8200 . ?
Cl1 O7 1.395(6) . ?
Cl1 O5 1.419(5) . ?
Cl1 O6 1.437(6) . ?
Cl1 O8 1.453(7) . ?
Cl1' O7' 1.428(10) . ?
Cl1' O8' 1.433(10) . ?
Cl1' O6' 1.433(10) . ?
Cl1' O5' 1.447(10) . ?
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
O3 Zn1 O2 C14 -4.8(2) 2_666 . . . ?
N3 Zn1 O2 C14 95.9(3) . . . . ?
N1 Zn1 O2 C14 -108.4(3) . . . . ?
O1 Zn1 O2 C14 -5.2(6) . . . . ?
N2 Zn1 O2 C14 173.7(3) . . . . ?
O3 Zn1 N1 C1 34.7(3) 2_666 . . . ?
N3 Zn1 N1 C1 -149.4(3) . . . . ?
O1 Zn1 N1 C1 -54.7(3) . . . . ?
N2 Zn1 N1 C1 -159.1(3) . . . . ?
O2 Zn1 N1 C1 112.5(3) . . . . ?
O3 Zn1 N1 C5 -152.5(3) 2_666 . . . ?
N3 Zn1 N1 C5 23.4(5) . . . . ?
O1 Zn1 N1 C5 118.2(3) . . . . ?
N2 Zn1 N1 C5 13.8(3) . . . . ?
O2 Zn1 N1 C5 -74.6(3) . . . . ?
O3 Zn1 N2 C7 -171.3(4) 2_666 . . . ?
N3 Zn1 N2 C7 -87.3(3) . . . . ?
N1 Zn1 N2 C7 88.7(3) . . . . ?
O1 Zn1 N2 C7 2.0(3) . . . . ?
O2 Zn1 N2 C7 -177.8(3) . . . . ?
O3 Zn1 N2 C6 68.6(5) 2_666 . . . ?
N3 Zn1 N2 C6 152.7(3) . . . . ?
N1 Zn1 N2 C6 -31.4(2) . . . . ?
O1 Zn1 N2 C6 -118.1(2) . . . . ?
O2 Zn1 N2 C6 62.2(2) . . . . ?
O3 Zn1 N2 C8 -51.6(6) 2_666 . . . ?
N3 Zn1 N2 C8 32.5(2) . . . . ?
N1 Zn1 N2 C8 -151.6(3) . . . . ?
O1 Zn1 N2 C8 121.7(2) . . . . ?
O2 Zn1 N2 C8 -58.1(2) . . . . ?
O3 Zn1 N3 C13 -34.2(3) 2_666 . . . ?
N1 Zn1 N3 C13 149.9(3) . . . . ?
O1 Zn1 N3 C13 55.7(3) . . . . ?
N2 Zn1 N3 C13 159.5(3) . . . . ?
O2 Zn1 N3 C13 -111.5(3) . . . . ?
O3 Zn1 N3 C9 151.0(3) 2_666 . . . ?
N1 Zn1 N3 C9 -25.0(5) . . . . ?
O1 Zn1 N3 C9 -119.2(3) . . . . ?
N2 Zn1 N3 C9 -15.3(3) . . . . ?
O2 Zn1 N3 C9 73.7(3) . . . . ?
C5 N1 C1 C2 1.7(6) . . . . ?
Zn1 N1 C1 C2 174.3(3) . . . . ?
N1 C1 C2 C3 -2.3(7) . . . . ?
C1 C2 C3 C4 0.9(7) . . . . ?
C2 C3 C4 C5 1.0(7) . . . . ?
C1 N1 C5 C4 0.3(6) . . . . ?
Zn1 N1 C5 C4 -173.1(3) . . . . ?
C1 N1 C5 C6 -179.0(3) . . . . ?
Zn1 N1 C5 C6 7.6(4) . . . . ?
C3 C4 C5 N1 -1.6(6) . . . . ?
C3 C4 C5 C6 177.6(4) . . . . ?
C7 N2 C6 C5 -77.5(4) . . . . ?
C8 N2 C6 C5 157.9(3) . . . . ?
Zn1 N2 C6 C5 43.7(3) . . . . ?
N1 C5 C6 N2 -36.2(5) . . . . ?
C4 C5 C6 N2 144.6(4) . . . . ?
C7 N2 C8 C9 76.7(4) . . . . ?
C6 N2 C8 C9 -158.6(3) . . . . ?
Zn1 N2 C8 C9 -44.3(3) . . . . ?
C13 N3 C9 C10 -0.6(6) . . . . ?
Zn1 N3 C9 C10 174.6(3) . . . . ?
C13 N3 C9 C8 178.8(3) . . . . ?
Zn1 N3 C9 C8 -6.0(4) . . . . ?
N2 C8 C9 N3 35.4(5) . . . . ?
N2 C8 C9 C10 -145.2(4) . . . . ?
N3 C9 C10 C11 -1.0(6) . . . . ?
C8 C9 C10 C11 179.7(4) . . . . ?
C9 C10 C11 C12 1.9(7) . . . . ?
C10 C11 C12 C13 -1.2(7) . . . . ?
C9 N3 C13 C12 1.4(6) . . . . ?
Zn1 N3 C13 C12 -173.3(3) . . . . ?
C11 C12 C13 N3 -0.5(7) . . . . ?
Zn1 O2 C14 O3 -175.3(3) . . . . ?
Zn1 O2 C14 C14 3.5(5) . . . 2_666 ?
Zn1 O3 C14 O2 -175.6(3) 2_666 . . . ?
Zn1 O3 C14 C14 5.6(5) 2_666 . . 2_666 ?
