#------------------------------------------------------------------------------
#$Date: 2016-09-10 01:23:22 +0200 (Sat 10 de Sep de 2016) $
#$Revision: 186374 $
#$URL: svn://www.crystallography.net/cod/cif/7/04/00/7040053.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_7040053
loop_
_publ_author_name
'Petzold, Holm'
'Djomgoue, Paul'
'Hörner, Gerald'
'Speck, J Matthäus'
'Rüffer, Tobias'
'Schaarschmidt, Dieter'
_publ_section_title
;
 (1)H NMR spectroscopic elucidation in solution of the kinetics and
 thermodynamics of spin crossover for an exceptionally robust Fe(2+)
 complex.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13798
_journal_page_last               13809
_journal_paper_doi               10.1039/c6dt01895e
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C32 H30 N6 Zn, 2(Cl O4), 2(C2 H3 N)'
_chemical_formula_sum            'C36 H36 Cl2 N8 O8 Zn'
_chemical_formula_weight         845.00
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-04-06 deposited with the CCDC.
2016-07-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 119.285(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.4625(1)
_cell_length_b                   10.3557(2)
_cell_length_c                   16.8781(4)
_cell_measurement_reflns_used    8209
_cell_measurement_temperature    150
_cell_measurement_theta_max      24.9983
_cell_measurement_theta_min      2.9221
_cell_volume                     3576.78(13)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'oxford gemini s'
_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  0.0247
_diffrn_reflns_av_unetI/netI     0.0221
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            13625
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         3.134
_exptl_absorpt_coefficient_mu    0.902
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.89899
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.569
_exptl_crystal_description       block
_exptl_crystal_F_000             1744
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.803
_refine_diff_density_min         -0.469
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     273
_refine_ls_number_reflns         3132
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.0428
_refine_ls_R_factor_gt           0.0365
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0654P)²+1.9864P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1004
_refine_ls_wR_factor_ref         0.1023
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2666
_reflns_number_total             3132
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt01895e2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7040051--7040055.cif.'
_cod_database_code               7040053
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C2 C 0.4600(3) 0.6017(7) 0.6695(5) 0.0346(17) Uani 0.5 1 d D . P A 1
H2A H 0.4854 0.5969 0.6384 0.042 Uiso 0.5 1 calc R U P A 1
H2B H 0.4149 0.6167 0.6238 0.042 Uiso 0.5 1 calc R U P A 1
C3 C 0.4835(4) 0.7175(6) 0.7328(8) 0.040(4) Uani 0.5 1 d D . P A 1
H3A H 0.4615 0.7203 0.7687 0.048 Uiso 0.5 1 calc R U P A 1
H3B H 0.4735 0.7966 0.6976 0.048 Uiso 0.5 1 calc R U P A 1
C2' C 0.4290(3) 0.5877(7) 0.6460(5) 0.0315(17) Uani 0.5 1 d D . P A 2
H2'1 H 0.4466 0.5983 0.6051 0.038 Uiso 0.5 1 calc R U P A 2
H2'2 H 0.3823 0.5720 0.6102 0.038 Uiso 0.5 1 calc R U P A 2
C3' C 0.4420(3) 0.7064(6) 0.7041(6) 0.041(2) Uani 0.5 1 d D . P A 2
H3'1 H 0.4200 0.6994 0.7399 0.049 Uiso 0.5 1 calc R U P A 2
H3'2 H 0.4257 0.7826 0.6660 0.049 Uiso 0.5 1 calc R U P A 2
C4 C 0.37911(14) 0.3256(3) 0.6020(2) 0.0473(8) Uani 1 1 d . . . . .
H4A H 0.3701 0.2844 0.5454 0.057 Uiso 1 1 calc R U . . .
H4B H 0.3544 0.4055 0.5875 0.057 Uiso 1 1 calc R U . . .
C1 C 0.46400(16) 0.4707(2) 0.7139(2) 0.0492(8) Uani 1 1 d D . . . .
H1 H 0.4366 0.4711 0.7430 0.059 Uiso 0.5 1 calc R U P A 1
H1' H 0.4399 0.4587 0.7471 0.059 Uiso 0.5 1 calc R U P A 2
C5 C 0.35773(13) 0.2379(3) 0.65405(19) 0.0345(6) Uani 1 1 d . . . . .
C6 C 0.29205(13) 0.2212(3) 0.6315(2) 0.0432(7) Uani 1 1 d . . . . .
H6 H 0.2596 0.2722 0.5869 0.052 Uiso 1 1 calc R U . . .
C7 C 0.27647(13) 0.1292(3) 0.67597(19) 0.0416(7) Uani 1 1 d . . . . .
H7 H 0.2331 0.1169 0.6612 0.050 Uiso 1 1 calc R U . . .
C8 C 0.32571(12) 0.0534(3) 0.74383(18) 0.0319(6) Uani 1 1 d . . . . .
C9 C 0.39003(11) 0.0790(2) 0.76429(16) 0.0246(5) Uani 1 1 d . . . . .
C10 C 0.31496(14) -0.0493(3) 0.79268(19) 0.0390(7) Uani 1 1 d . . . . .
H10 H 0.2727 -0.0678 0.7805 0.047 Uiso 1 1 calc R U . . .
C11 C 0.36543(14) -0.1190(3) 0.85583(19) 0.0362(6) Uani 1 1 d . . . . .
H11 H 0.3570 -0.1864 0.8850 0.043 Uiso 1 1 calc R U . . .
C12 C 0.43155(13) -0.0917(2) 0.87898(16) 0.0291(6) Uani 1 1 d . . . . .
C13 C 0.44418(11) 0.0089(2) 0.83377(16) 0.0235(5) Uani 1 1 d . . . . .
C14 C 0.48606(14) -0.1590(2) 0.94584(18) 0.0341(6) Uani 1 1 d . . . . .
H14 H 0.4803 -0.2284 0.9762 0.041 Uiso 1 1 calc R U . . .
C15 C 0.54728(14) -0.1214(3) 0.96564(18) 0.0357(6) Uani 1 1 d . . . . .
H15 H 0.5837 -0.1634 1.0109 0.043 Uiso 1 1 calc R U . . .
C16 C 0.55494(13) -0.0185(2) 0.91694(17) 0.0307(6) Uani 1 1 d . . . . .
H16 H 0.5970 0.0061 0.9313 0.037 Uiso 1 1 calc R U . . .
C17 C 0.2770(2) 0.7055(4) 0.6345(3) 0.0922(16) Uani 1 1 d . . . . .
H17A H 0.3000 0.6695 0.6946 0.138 Uiso 1 1 calc R U . . .
H17C H 0.2445 0.7651 0.6311 0.138 Uiso 1 1 calc R U . . .
H17B H 0.3073 0.7500 0.6214 0.138 Uiso 1 1 calc R U . . .
C18 C 0.24580(17) 0.6033(4) 0.5694(2) 0.0620(10) Uani 1 1 d . . . . .
N1 N 0.44962(11) 0.3544(2) 0.65575(16) 0.0338(5) Uani 1 1 d D . . . .
N2 N 0.40451(9) 0.16903(19) 0.71903(14) 0.0258(5) Uani 1 1 d . . . . .
N3 N 0.50496(10) 0.04472(18) 0.85182(13) 0.0250(4) Uani 1 1 d . . . . .
N4 N 0.22148(15) 0.5225(4) 0.5189(2) 0.0766(10) Uani 1 1 d . . . . .
O1 O 0.55362(10) 0.3902(2) 0.59482(15) 0.0556(6) Uani 1 1 d . . . . .
O2 O 0.65135(13) 0.3711(3) 0.5931(2) 0.0897(10) Uani 1 1 d . . . . .
O3 O 0.64829(12) 0.4883(3) 0.70899(16) 0.0835(9) Uani 1 1 d . . . . .
O4 O 0.60184(14) 0.5664(2) 0.5630(2) 0.0824(9) Uani 1 1 d . . . . .
Cl1 Cl 0.61334(3) 0.45179(6) 0.61572(4) 0.02972(18) Uani 1 1 d . . . . .
Zn1 Zn 0.5000 0.19574(4) 0.7500 0.02504(15) Uani 1 2 d S T P . .
H1N H 0.4669(13) 0.370(3) 0.6166(17) 0.039(8) Uiso 1 1 d 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'
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'
H H 0.0000 0.0000 '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
C3 C2 C1 116.2(7) . .
C3 C2 H2A 108.2 . .
C1 C2 H2A 108.2 . .
C3 C2 H2B 108.2 . .
C1 C2 H2B 108.2 . .
H2A C2 H2B 107.4 . .
C2 C3 H3A 109.9 . .
C2 C3 H3B 109.9 . .
H3A C3 H3B 108.3 . .
C3' C2' C1 106.5(6) . .
C3' C2' H2'1 110.4 . .
C1 C2' H2'1 110.4 . .
C3' C2' H2'2 110.4 . .
C1 C2' H2'2 110.4 . .
H2'1 C2' H2'2 108.6 . .
C2' C3' H3'1 110.1 . .
C2' C3' H3'2 110.1 . .
H3'1 C3' H3'2 108.4 . .
N1 C4 C5 110.8(2) . .
N1 C4 H4A 109.5 . .
C5 C4 H4A 109.5 . .
N1 C4 H4B 109.5 . .
C5 C4 H4B 109.5 . .
H4A C4 H4B 108.1 . .
N1 C1 C1 109.43(19) . 2_656
N1 C1 C2 117.1(4) . .
C1 C1 C2 99.8(3) 2_656 .
N1 C1 C2' 105.7(3) . .
C1 C1 C2' 123.7(3) 2_656 .
N1 C1 H1 110.0 . .
C1 C1 H1 110.0 2_656 .
C2 C1 H1 110.0 . .
N1 C1 H1' 105.6 . .
C1 C1 H1' 105.6 2_656 .
C2' C1 H1' 105.6 . .
N2 C5 C6 121.0(2) . .
N2 C5 C4 115.5(2) . .
C6 C5 C4 123.3(2) . .
C7 C6 C5 119.2(3) . .
C7 C6 H6 120.4 . .
C5 C6 H6 120.4 . .
C6 C7 C8 120.2(2) . .
C6 C7 H7 119.9 . .
C8 C7 H7 119.9 . .
C9 C8 C7 117.0(2) . .
C9 C8 C10 117.9(2) . .
C7 C8 C10 125.1(2) . .
N2 C9 C8 122.1(2) . .
N2 C9 C13 116.4(2) . .
C8 C9 C13 121.5(2) . .
C11 C10 C8 121.0(2) . .
C11 C10 H10 119.5 . .
C8 C10 H10 119.5 . .
C10 C11 C12 121.7(2) . .
C10 C11 H11 119.2 . .
C12 C11 H11 119.2 . .
C13 C12 C14 116.8(2) . .
C13 C12 C11 119.1(2) . .
C14 C12 C11 124.0(2) . .
N3 C13 C12 124.0(2) . .
N3 C13 C9 117.3(2) . .
C12 C13 C9 118.8(2) . .
C15 C14 C12 119.4(2) . .
C15 C14 H14 120.3 . .
C12 C14 H14 120.3 . .
C14 C15 C16 119.5(2) . .
C14 C15 H15 120.3 . .
C16 C15 H15 120.3 . .
N3 C16 C15 123.0(2) . .
N3 C16 H16 118.5 . .
C15 C16 H16 118.5 . .
C18 C17 H17A 109.5 . .
C18 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
C18 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
H17C C17 H17B 109.5 . .
N4 C18 C17 179.4(5) . .
C4 N1 C1 113.2(2) . .
C4 N1 Zn1 109.81(15) . .
C1 N1 Zn1 105.12(17) . .
C4 N1 H1N 109.9(17) . .
C1 N1 H1N 106.9(17) . .
Zn1 N1 H1N 111.9(17) . .
C5 N2 C9 120.5(2) . .
C5 N2 Zn1 119.94(16) . .
C9 N2 Zn1 119.60(16) . .
C16 N3 C13 117.3(2) . .
C16 N3 Zn1 131.45(17) . .
C13 N3 Zn1 110.93(15) . .
O2 Cl1 O1 110.29(15) . .
O2 Cl1 O3 111.07(19) . .
O1 Cl1 O3 111.03(13) . .
O2 Cl1 O4 106.07(19) . .
O1 Cl1 O4 110.87(16) . .
O3 Cl1 O4 107.37(19) . .
N2 Zn1 N2 164.53(11) . 2_656
N2 Zn1 N1 114.83(8) . 2_656
N2 Zn1 N1 77.42(8) 2_656 2_656
N2 Zn1 N1 77.42(8) . .
N2 Zn1 N1 114.83(8) 2_656 .
N1 Zn1 N1 82.65(13) 2_656 .
N2 Zn1 N3 93.93(8) . 2_656
N2 Zn1 N3 75.36(7) 2_656 2_656
N1 Zn1 N3 150.66(7) 2_656 2_656
N1 Zn1 N3 99.01(8) . 2_656
N2 Zn1 N3 75.36(7) . .
N2 Zn1 N3 93.93(8) 2_656 .
N1 Zn1 N3 99.01(8) 2_656 .
N1 Zn1 N3 150.66(7) . .
N3 Zn1 N3 93.58(9) 2_656 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C2 C3 1.519(10) .
C2 C1 1.531(8) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C3' 1.543(11) 2_656
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C2' C3' 1.508(10) .
C2' C1 1.593(8) .
C2' H2'1 0.9700 .
C2' H2'2 0.9700 .
C3' C3 1.543(11) 2_656
C3' H3'1 0.9700 .
C3' H3'2 0.9700 .
C4 N1 1.477(4) .
C4 C5 1.510(4) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C1 N1 1.484(4) .
C1 C1 1.524(7) 2_656
C1 H1 0.9800 .
C1 H1' 0.9800 .
C5 N2 1.318(3) .
C5 C6 1.406(4) .
C6 C7 1.369(4) .
C6 H6 0.9300 .
C7 C8 1.403(4) .
C7 H7 0.9300 .
C8 C9 1.399(3) .
C8 C10 1.442(4) .
C9 N2 1.350(3) .
C9 C13 1.435(3) .
C10 C11 1.351(4) .
C10 H10 0.9300 .
C11 C12 1.430(4) .
C11 H11 0.9300 .
C12 C13 1.406(3) .
C12 C14 1.408(4) .
C13 N3 1.356(3) .
C14 C15 1.362(4) .
C14 H14 0.9300 .
C15 C16 1.410(4) .
C15 H15 0.9300 .
C16 N3 1.323(3) .
C16 H16 0.9300 .
C17 C18 1.441(6) .
C17 H17A 0.9600 .
C17 H17C 0.9600 .
C17 H17B 0.9600 .
C18 N4 1.131(5) .
N1 Zn1 2.188(2) .
N1 H1N 0.941(17) .
N2 Zn1 2.0552(19) .
N3 Zn1 2.2841(19) .
O1 Cl1 1.4179(19) .
O2 Cl1 1.404(2) .
O3 Cl1 1.425(2) .
O4 Cl1 1.428(2) .
Zn1 N2 2.0552(19) 2_656
Zn1 N1 2.188(2) 2_656
Zn1 N3 2.2841(19) 2_656
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
C1 C2 C3 C3' 67.4(11) . 2_656
C1 C2' C3' C3 53.7(9) . 2_656
C3 C2 C1 N1 -172.1(6) . .
C3 C2 C1 C1 -54.3(7) . 2_656
C3 C2 C1 C2' 121.5(16) . .
C3' C2' C1 N1 179.0(4) . .
C3' C2' C1 C1 -54.0(7) . 2_656
C3' C2' C1 C2 -59.0(12) . .
N1 C4 C5 N2 -22.1(4) . .
N1 C4 C5 C6 162.8(3) . .
N2 C5 C6 C7 -2.0(5) . .
C4 C5 C6 C7 172.8(3) . .
C5 C6 C7 C8 0.6(5) . .
C6 C7 C8 C9 1.5(4) . .
C6 C7 C8 C10 -177.5(3) . .
C7 C8 C9 N2 -2.4(4) . .
C10 C8 C9 N2 176.7(2) . .
C7 C8 C9 C13 178.8(2) . .
C10 C8 C9 C13 -2.1(4) . .
C9 C8 C10 C11 -0.4(4) . .
C7 C8 C10 C11 178.7(3) . .
C8 C10 C11 C12 1.9(4) . .
C10 C11 C12 C13 -1.0(4) . .
C10 C11 C12 C14 178.3(3) . .
C14 C12 C13 N3 -0.9(4) . .
C11 C12 C13 N3 178.4(2) . .
C14 C12 C13 C9 179.2(2) . .
C11 C12 C13 C9 -1.4(3) . .
N2 C9 C13 N3 4.2(3) . .
C8 C9 C13 N3 -176.9(2) . .
N2 C9 C13 C12 -175.9(2) . .
C8 C9 C13 C12 3.0(4) . .
C13 C12 C14 C15 2.4(4) . .
C11 C12 C14 C15 -177.0(2) . .
C12 C14 C15 C16 -1.9(4) . .
C14 C15 C16 N3 -0.1(4) . .
C5 C4 N1 C1 -89.7(3) . .
C5 C4 N1 Zn1 27.5(3) . .
C1 C1 N1 C4 163.3(2) 2_656 .
C2 C1 N1 C4 -84.2(4) . .
C2' C1 N1 C4 -61.4(4) . .
C1 C1 N1 Zn1 43.5(3) 2_656 .
C2 C1 N1 Zn1 155.9(4) . .
C2' C1 N1 Zn1 178.7(3) . .
C6 C5 N2 C9 1.2(4) . .
C4 C5 N2 C9 -174.0(2) . .
C6 C5 N2 Zn1 179.9(2) . .
C4 C5 N2 Zn1 4.7(3) . .
C8 C9 N2 C5 1.0(4) . .
C13 C9 N2 C5 179.9(2) . .
C8 C9 N2 Zn1 -177.63(18) . .
C13 C9 N2 Zn1 1.3(3) . .
C15 C16 N3 C13 1.5(3) . .
C15 C16 N3 Zn1 -171.37(18) . .
C12 C13 N3 C16 -1.0(3) . .
C9 C13 N3 C16 178.9(2) . .
C12 C13 N3 Zn1 173.31(18) . .
C9 C13 N3 Zn1 -6.9(2) . .
