#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/56/2015634.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2015634
loop_
_publ_author_name
'Hong-Chang Liang'
'Marcel Hetu'
'Wheeler, Kraig A.'
'Lev N. Zhakorov'
'Arnold L. Rheingold'
_publ_section_title
;(Acetonitrile-κN){2-[bis(2-pyridylethyl)amino]ethanol-κ⁴N,N',N'',O}zinc(II)
 bis(perchlorate) monohydrate
;
_journal_coeditor_code           FA3036
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m519
_journal_page_last               m521
_journal_paper_doi               10.1107/S0108270106037747
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac
'[Zn (C2 H3 N) (C16 H21 N3 O)] (Cl O4)2 , H2 O'
_chemical_formula_moiety         'C18 H24 N4 O Zn 2+ , 2Cl O4 - , H2 O'
_chemical_formula_sum            'C18 H26 Cl2 N4 O10 Zn'
_chemical_formula_weight         594.72
_chemical_name_systematic
;
(Acetonitrile-\kN){2-[bis(2-pyridethyl)amino]ethanol-κ⁴N,N',N'',O}zinc(II)
bis(perchlorate) monohydrate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 109.4870(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.3792(13)
_cell_length_b                   7.8924(6)
_cell_length_c                   18.6583(14)
_cell_measurement_reflns_used    9361
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      28.27
_cell_measurement_theta_min      2.32
_cell_volume                     2412.6(3)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction
'SAINT (Bruker, 2002) and XPREP (Bruker, 2001)'
_computing_molecular_graphics    X-SEED
_computing_publication_material  'X-SEED (Barbour, 2001)'
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_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  0.0310
_diffrn_reflns_av_sigmaI/netI    0.0357
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            16837
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.23
_exptl_absorpt_coefficient_mu    1.300
_exptl_absorpt_correction_T_max  0.8810
_exptl_absorpt_correction_T_min  0.6589
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.637
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1224
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.911
_refine_diff_density_min         -0.399
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     409
_refine_ls_number_reflns         5502
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0443
_refine_ls_R_factor_gt           0.0367
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0503P)²+1.2239P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0939
_refine_ls_wR_factor_ref         0.0982
_reflns_number_gt                4695
_reflns_number_total             5502
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            fa3036.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2015634
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
Zn Zn1 0.730424(11) 0.63244(3) 0.985731(11) 0.02481(5) Uani d . 1
O O1 0.70047(8) 0.80338(17) 1.05525(7) 0.0301(3) Uani d . 1
N N1 0.81947(8) 0.55236(19) 0.94474(9) 0.0279(3) Uani d . 1
N N2 0.68983(8) 0.83863(19) 0.90833(8) 0.0258(3) Uani d . 1
N N3 0.62484(8) 0.49311(19) 0.95215(9) 0.0272(3) Uani d . 1
N N4 0.78804(9) 0.5013(2) 1.08945(9) 0.0332(4) Uani d . 1
C C1 0.84356(12) 0.3900(2) 0.95692(12) 0.0351(5) Uani d . 1
C C2 0.90413(13) 0.3235(3) 0.93368(13) 0.0417(5) Uani d . 1
C C3 0.94193(12) 0.4269(3) 0.89649(13) 0.0437(5) Uani d . 1
C C4 0.91751(11) 0.5927(3) 0.88364(12) 0.0394(5) Uani d . 1
C C5 0.85618(10) 0.6534(2) 0.90817(11) 0.0296(4) Uani d . 1
C C6 0.83011(11) 0.8349(3) 0.89702(12) 0.0351(4) Uani d . 1
C C7 0.73912(12) 0.8607(3) 0.85710(11) 0.0328(4) Uani d . 1
C C8 0.60303(11) 0.8128(3) 0.86066(11) 0.0324(4) Uani d . 1
C C9 0.58665(12) 0.6342(3) 0.82901(11) 0.0363(5) Uani d . 1
C C10 0.56823(11) 0.5115(2) 0.88268(10) 0.0302(4) Uani d . 1
C C11 0.49605(12) 0.4225(3) 0.86301(12) 0.0372(5) Uani d . 1
C C12 0.48063(12) 0.3136(3) 0.91336(13) 0.0389(5) Uani d . 1
C C13 0.53755(11) 0.2974(2) 0.98477(12) 0.0343(4) Uani d . 1
C C14 0.60837(11) 0.3892(2) 1.00197(11) 0.0299(4) Uani d . 1
C C15 0.69742(11) 0.9930(2) 0.95501(11) 0.0317(4) Uani d . 1
C C16 0.66839(11) 0.9608(2) 1.02142(11) 0.0327(4) Uani d . 1
C C17 0.82307(10) 0.4511(2) 1.14735(11) 0.0306(4) Uani d . 1
C C18 0.86836(14) 0.3869(3) 1.22227(13) 0.0506(6) Uani d . 1
H H18A 0.8331 0.3127 1.2399 0.076 Uiso calc R 1
H H18B 0.8869 0.4820 1.2577 0.076 Uiso calc R 1
H H18C 0.9157 0.3227 1.2200 0.076 Uiso calc R 1
H H1 0.8187(11) 0.326(3) 0.9857(11) 0.027(5) Uiso d . 1
H H2 0.9166(13) 0.215(3) 0.9465(12) 0.044(6) Uiso d . 1
H H3 0.9862(14) 0.381(3) 0.8795(13) 0.045(7) Uiso d . 1
H H4 0.9424(13) 0.676(3) 0.8602(13) 0.042(6) Uiso d . 1
H H6A 0.8559(15) 0.886(3) 0.8696(14) 0.051(7) Uiso d . 1
H H6B 0.8503(12) 0.896(3) 0.9493(12) 0.031(5) Uiso d . 1
H H7A 0.7307(11) 0.970(3) 0.8395(11) 0.030(5) Uiso d . 1
H H7B 0.7202(11) 0.780(3) 0.8179(11) 0.028(5) Uiso d . 1
H H8A 0.5695(12) 0.839(2) 0.8916(11) 0.027(5) Uiso d . 1
H H8B 0.5859(11) 0.897(3) 0.8210(11) 0.028(5) Uiso d . 1
H H9A 0.6331(14) 0.588(3) 0.8139(13) 0.044(6) Uiso d . 1
H H9B 0.5453(13) 0.637(3) 0.7867(13) 0.039(6) Uiso d . 1
H H11 0.4625(13) 0.436(3) 0.8172(13) 0.045(6) Uiso d . 1
H H12 0.4309(13) 0.252(3) 0.9009(12) 0.044(6) Uiso d . 1
H H13 0.5291(13) 0.223(3) 1.0221(13) 0.041(6) Uiso d . 1
H H14 0.6486(13) 0.387(3) 1.0541(13) 0.037(6) Uiso d . 1
H H15A 0.7548(12) 1.021(3) 0.9759(11) 0.032(5) Uiso d . 1
H H15B 0.6707(12) 1.084(3) 0.9269(12) 0.030(5) Uiso d . 1
H H16A 0.6101(12) 0.957(3) 1.0093(11) 0.029(5) Uiso d . 1
H H16B 0.6874(11) 1.044(3) 1.0581(11) 0.025(5) Uiso d . 1
H H1A 0.7228(15) 0.823(3) 1.0949(15) 0.052(8) Uiso d . 1
Cl Cl1 0.92321(3) 0.97603(7) 1.12378(3) 0.03805(12) Uani d . 1
O O2 0.93152(11) 0.9510(4) 1.20099(10) 0.0809(7) Uani d . 1
O O3 0.99937(10) 1.0086(3) 1.11588(12) 0.0713(6) Uani d . 1
O O4 0.89125(11) 0.8214(2) 1.08408(13) 0.0683(6) Uani d . 1
O O5 0.86505(12) 1.1040(2) 1.09256(11) 0.0682(6) Uani d . 1
Cl Cl2 0.65077(3) 1.20441(7) 1.22309(3) 0.03733(11) Uani d . 1
O O6 0.59799(11) 1.0986(3) 1.16613(11) 0.0660(5) Uani d . 1
O O7 0.67617(11) 1.3450(3) 1.18870(11) 0.0680(5) Uani d . 1
O O8 0.60992(10) 1.2649(2) 1.27248(10) 0.0560(4) Uani d . 1
O O9 0.72074(10) 1.1088(2) 1.26714(9) 0.0546(5) Uani d . 1
O O10 0.77656(10) 0.8372(2) 1.20043(9) 0.0438(4) Uani d . 1
H H10A 0.8169(19) 0.872(4) 1.1985(18) 0.070(10) Uiso d . 1
H H10B 0.7573(15) 0.908(3) 1.2160(15) 0.050(8) Uiso d . 1
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_publ_flag
N1 Zn1 N3 115.63(6) y
N1 Zn1 O1 145.36(6) y
N3 Zn1 O1 98.96(6) y
N1 Zn1 N4 90.27(6) y
N3 Zn1 N4 96.83(6) y
O1 Zn1 N4 83.49(6) y
N1 Zn1 N2 95.93(6) y
N3 Zn1 N2 98.17(6) y
O1 Zn1 N2 80.23(6) y
N4 Zn1 N2 159.35(6) y
C16 O1 Zn1 115.99(11) ?
C16 O1 H1A 105(2) ?
Zn1 O1 H1A 128(2) ?
C5 N1 C1 118.60(17) ?
C5 N1 Zn1 123.73(13) ?
C1 N1 Zn1 117.65(13) ?
C15 N2 C8 109.79(14) ?
C15 N2 C7 108.91(15) ?
C8 N2 C7 108.52(14) ?
C15 N2 Zn1 106.59(11) ?
C8 N2 Zn1 109.92(11) ?
C7 N2 Zn1 113.08(11) ?
C14 N3 C10 118.45(15) ?
C14 N3 Zn1 119.52(12) ?
C10 N3 Zn1 121.86(13) ?
C17 N4 Zn1 171.29(16) ?
N1 C1 C2 122.7(2) ?
N1 C1 H1 115.7(12) ?
C2 C1 H1 121.4(12) ?
C1 C2 C3 118.7(2) ?
C1 C2 H2 115.1(15) ?
C3 C2 H2 126.1(15) ?
C2 C3 C4 118.9(2) ?
C2 C3 H3 119.8(14) ?
C4 C3 H3 121.3(14) ?
C3 C4 C5 120.1(2) ?
C3 C4 H4 124.6(14) ?
C5 C4 H4 115.2(14) ?
N1 C5 C4 120.97(18) ?
N1 C5 C6 117.81(17) ?
C4 C5 C6 121.20(18) ?
C5 C6 C7 114.46(16) ?
C5 C6 H6A 109.1(16) ?
C7 C6 H6A 107.6(15) ?
C5 C6 H6B 108.8(11) ?
C7 C6 H6B 111.6(11) ?
H6A C6 H6B 105(2) ?
N2 C7 C6 113.36(16) ?
N2 C7 H7A 106.4(13) ?
C6 C7 H7A 108.5(12) ?
N2 C7 H7B 107.1(13) ?
C6 C7 H7B 109.1(12) ?
H7A C7 H7B 112.5(17) ?
N2 C8 C9 112.38(16) ?
N2 C8 H8A 107.9(11) ?
C9 C8 H8A 110.9(12) ?
N2 C8 H8B 110.8(12) ?
C9 C8 H8B 111.8(12) ?
H8A C8 H8B 102.6(17) ?
C10 C9 C8 113.16(17) ?
C10 C9 H9A 108.7(14) ?
C8 C9 H9A 112.5(14) ?
C10 C9 H9B 108.9(16) ?
C8 C9 H9B 108.8(15) ?
H9A C9 H9B 104(2) ?
N3 C10 C11 120.61(18) ?
N3 C10 C9 117.43(16) ?
C11 C10 C9 121.94(17) ?
C12 C11 C10 120.59(18) ?
C12 C11 H11 122.5(17) ?
C10 C11 H11 116.9(17) ?
C11 C12 C13 118.88(18) ?
C11 C12 H12 121.8(14) ?
C13 C12 H12 119.3(14) ?
C14 C13 C12 118.49(19) ?
C14 C13 H13 119.8(12) ?
C12 C13 H13 121.7(13) ?
N3 C14 C13 122.95(17) ?
N3 C14 H14 116.7(13) ?
C13 C14 H14 120.2(13) ?
N2 C15 C16 110.92(16) ?
N2 C15 H15A 107.7(13) ?
C16 C15 H15A 106.9(13) ?
N2 C15 H15B 112.4(13) ?
C16 C15 H15B 110.9(14) ?
H15A C15 H15B 107.9(18) ?
O1 C16 C15 108.87(15) ?
O1 C16 H16A 107.8(13) ?
C15 C16 H16A 115.3(12) ?
O1 C16 H16B 107.7(12) ?
C15 C16 H16B 110.6(13) ?
H16A C16 H16B 106.3(17) ?
N4 C17 C18 179.7(3) y
C17 C18 H18A 109.5 ?
C17 C18 H18B 109.5 ?
H18A C18 H18B 109.5 ?
C17 C18 H18C 109.5 ?
H18A C18 H18C 109.5 ?
H18B C18 H18C 109.5 ?
O3 Cl1 O5 113.37(13) ?
O3 Cl1 O2 110.70(12) ?
O5 Cl1 O2 109.70(14) ?
O3 Cl1 O4 108.46(13) ?
O5 Cl1 O4 107.11(11) ?
O2 Cl1 O4 107.26(15) ?
O6 Cl2 O8 110.19(12) ?
O6 Cl2 O7 109.92(12) ?
O8 Cl2 O7 109.14(12) ?
O6 Cl2 O9 109.39(12) ?
O8 Cl2 O9 108.47(10) ?
O7 Cl2 O9 109.71(11) ?
H10A O10 H10B 107(3) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Zn1 N1 2.0418(15) y
Zn1 N3 2.0498(14) y
Zn1 O1 2.0552(14) y
Zn1 N4 2.1273(16) y
Zn1 N2 2.1336(14) y
O1 C16 1.420(2) ?
O1 H1A 0.73(3) ?
N1 C5 1.341(2) ?
N1 C1 1.344(2) ?
N2 C15 1.478(2) ?
N2 C8 1.488(2) ?
N2 C7 1.491(3) ?
N3 C14 1.340(2) ?
N3 C10 1.348(2) ?
N4 C17 1.121(2) ?
C1 C2 1.370(3) ?
C1 H1 0.94(2) ?
C2 C3 1.372(3) ?
C2 H2 0.90(2) ?
C3 C4 1.372(3) ?
C3 H3 0.99(2) ?
C4 C5 1.378(3) ?
C4 H4 0.97(2) ?
C5 C6 1.496(3) ?
C6 C7 1.520(3) ?
C6 H6A 0.88(3) ?
C6 H6B 1.04(2) ?
C7 H7A 0.92(2) ?
C7 H7B 0.94(2) ?
C8 C9 1.519(3) ?
C8 H8A 0.97(2) ?
C8 H8B 0.96(2) ?
C9 C10 1.502(3) ?
C9 H9A 1.01(2) ?
C9 H9B 0.87(2) ?
C10 C11 1.376(3) ?
C11 C12 1.364(3) ?
C11 H11 0.87(2) ?
C12 C13 1.375(3) ?
C12 H12 0.95(2) ?
C13 C14 1.371(3) ?
C13 H13 0.96(2) ?
C14 H14 0.99(2) ?
C15 C16 1.507(3) ?
C15 H15A 0.97(2) ?
C15 H15B 0.92(2) ?
C16 H16A 0.962(19) ?
C16 H16B 0.93(2) ?
C17 C18 1.448(3) ?
C18 H18A 0.9800 ?
C18 H18B 0.9800 ?
C18 H18C 0.9800 ?
Cl1 O3 1.4036(18) ?
Cl1 O5 1.4098(17) ?
Cl1 O2 1.4130(19) ?
Cl1 O4 1.439(2) ?
Cl2 O6 1.4204(19) ?
Cl2 O8 1.4203(17) ?
Cl2 O7 1.4237(19) ?
Cl2 O9 1.4341(16) ?
O10 H10A 0.76(3) ?
O10 H10B 0.76(3) ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O1 H1A O10 . 0.73(3) 1.88(3) 2.602(2) 170(3)
O10 H10A O2 . 0.76(3) 2.07(3) 2.836(3) 175(3)
O10 H10B O9 . 0.76(3) 2.06(3) 2.809(3) 172(3)
C1 H1 O5 1_545 0.94(2) 2.57(2) 3.318(3) 136(2)
C6 H6A O3 3_777 0.88(3) 2.58(2) 3.293(3) 139(2)
C8 H8A O6 3_677 0.97(2) 2.79(2) 3.432(3) 124.0(10)
C9 H9B O8 3_677 0.87(2) 2.67(2) 3.402(3) 143(2)
C14 H14 O7 1_545 0.99(2) 2.42(2) 3.303(3) 149(2)
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_publ_flag
N1 Zn1 O1 C16 87.53(15) ?
N3 Zn1 O1 C16 -95.58(12) ?
N4 Zn1 O1 C16 168.49(13) ?
N2 Zn1 O1 C16 1.24(12) ?
N3 Zn1 N1 C5 127.12(14) ?
O1 Zn1 N1 C5 -56.29(18) ?
N4 Zn1 N1 C5 -135.17(14) ?
N2 Zn1 N1 C5 25.10(14) ?
N3 Zn1 N1 C1 -54.48(15) ?
O1 Zn1 N1 C1 122.12(14) ?
N4 Zn1 N1 C1 43.23(14) ?
N2 Zn1 N1 C1 -156.50(13) ?
N1 Zn1 N2 C15 -122.82(11) ?
N3 Zn1 N2 C15 120.16(11) ?
O1 Zn1 N2 C15 22.41(11) y
N4 Zn1 N2 C15 -16.0(2) ?
N1 Zn1 N2 C8 118.25(12) ?
N3 Zn1 N2 C8 1.24(13) y
O1 Zn1 N2 C8 -96.51(12) ?
N4 Zn1 N2 C8 -134.96(17) ?
N1 Zn1 N2 C7 -3.19(12) y
N3 Zn1 N2 C7 -120.20(12) ?
O1 Zn1 N2 C7 142.05(12) ?
N4 Zn1 N2 C7 103.60(19) ?
N1 Zn1 N3 C14 106.38(14) ?
O1 Zn1 N3 C14 -71.66(14) ?
N4 Zn1 N3 C14 12.79(14) ?
N2 Zn1 N3 C14 -152.98(14) ?
N1 Zn1 N3 C10 -78.41(15) ?
O1 Zn1 N3 C10 103.55(14) ?
N4 Zn1 N3 C10 -172.00(14) ?
N2 Zn1 N3 C10 22.23(15) ?
C5 N1 C1 C2 0.1(3) ?
Zn1 N1 C1 C2 -178.35(16) ?
N1 C1 C2 C3 0.1(3) ?
C1 C2 C3 C4 -0.3(3) ?
C2 C3 C4 C5 0.2(3) ?
C1 N1 C5 C4 -0.2(3) ?
Zn1 N1 C5 C4 178.23(14) ?
C1 N1 C5 C6 -178.38(17) ?
Zn1 N1 C5 C6 0.0(2) ?
C3 C4 C5 N1 0.0(3) ?
C3 C4 C5 C6 178.12(19) ?
N1 C5 C6 C7 -55.3(2) ?
C4 C5 C6 C7 126.5(2) ?
C15 N2 C7 C6 78.02(19) ?
C8 N2 C7 C6 -162.50(16) ?
Zn1 N2 C7 C6 -40.27(19) ?
C5 C6 C7 N2 79.4(2) ?
C15 N2 C8 C9 -163.48(16) ?
C7 N2 C8 C9 77.59(19) ?
Zn1 N2 C8 C9 -46.54(18) ?
N2 C8 C9 C10 85.9(2) ?
C14 N3 C10 C11 -1.4(3) ?
Zn1 N3 C10 C11 -176.70(15) ?
C14 N3 C10 C9 177.50(17) ?
Zn1 N3 C10 C9 2.2(2) ?
C8 C9 C10 N3 -57.6(2) ?
C8 C9 C10 C11 121.3(2) ?
N3 C10 C11 C12 -0.3(3) ?
C9 C10 C11 C12 -179.1(2) ?
C10 C11 C12 C13 1.6(3) ?
C11 C12 C13 C14 -1.2(3) ?
C10 N3 C14 C13 1.8(3) ?
Zn1 N3 C14 C13 177.21(15) ?
C12 C13 C14 N3 -0.5(3) ?
C8 N2 C15 C16 76.63(18) ?
C7 N2 C15 C16 -164.68(14) ?
Zn1 N2 C15 C16 -42.38(16) ?
Zn1 O1 C16 C15 -24.41(18) ?
N2 C15 C16 O1 44.55(19) ?
