# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_zntpp1
_audit_block_doi                 10.5517/ccdc.csd.cc2b8pr2
_database_code_depnum_ccdc_archive 'CCDC 2153314'
loop_
_audit_author_name
_audit_author_address
'Athanassios Coutsolelos'
;University of Crete
Greece
;
_audit_update_record             
;
2022-02-19 deposited with the CCDC.	2022-05-04 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT220_zntpp1              
;
PROBLEM: NonSolvent   Resd 1  C   Ueq(max)/Ueq(min) Range        6.7 Ratio 
RESPONSE: 
A combination of room-temperature data collection, relatively weak quality
of data (I/Sigma for all data = 7.56), and disordered terminal thf ring 
contribute to this alert
;
_vrf_PLAT241_zntpp1              
;
PROBLEM: High   'MainMol' Ueq as Compared to Neighbors of        C23 Check 
RESPONSE:
The observed deviations of the thermal parameters of atom C23 of thf are
indicative of intense thermal motion or disorder which result in this
alert. Due to the fact that thf molecules are at terminal positions and
data were collected at room temperature, intense thermal motion is 
expected in this atom. Resolution of the disorder was attempted but upon
application of restraints on the thermal parameters, anisotropic 
refinement of the solved disorder was not possible. The isotropic, 
disordered model did not improve the structural quality, too.
;
# end Validation Reply Form
_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H22 N2 O Zn0.50'
_chemical_formula_weight         411.14

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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.6632(19)
_cell_length_b                   11.266(2)
_cell_length_c                   11.812(2)
_cell_angle_alpha                65.13(3)
_cell_angle_beta                 76.23(3)
_cell_angle_gamma                64.73(3)
_cell_volume                     1052.4(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    14146
_cell_measurement_theta_min      3.8
_cell_measurement_theta_max      51.2

_exptl_crystal_description       plank
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.297
_exptl_crystal_F_000             430
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.07
_exptl_absorpt_coefficient_mu    0.630
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.8198
_exptl_absorpt_correction_T_max  0.9559
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  STOE
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            3938
_diffrn_reflns_av_unetI/netI     0.1256
_diffrn_reflns_av_R_equivalents  0.0
_diffrn_reflns_limit_h_min       ?
_diffrn_reflns_limit_h_max       ?
_diffrn_reflns_limit_k_min       ?
_diffrn_reflns_limit_k_max       ?
_diffrn_reflns_limit_l_min       ?
_diffrn_reflns_limit_l_max       ?
_diffrn_reflns_theta_min         1.905
_diffrn_reflns_theta_max         25.610
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             3938
_reflns_number_gt                2347
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0245P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3938
_refine_ls_number_parameters     268
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0737
_refine_ls_R_factor_gt           0.0382
_refine_ls_wR_factor_ref         0.0721
_refine_ls_wR_factor_gt          0.0665
_refine_ls_goodness_of_fit_ref   0.742
_refine_ls_restrained_S_all      0.742
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
Zn1 Zn 0.000000 0.000000 0.000000 0.02701(17) Uani 1 2 d S . P . .
N1 N -0.1282(2) -0.1040(2) -0.00750(19) 0.0234(6) Uani 1 1 d . . . . .
N2 N -0.1246(2) 0.0196(2) 0.1632(2) 0.0218(5) Uani 1 1 d . . . . .
C6 C -0.2475(3) -0.0205(3) 0.2192(2) 0.0243(7) Uani 1 1 d . . . . .
C4 C -0.2397(3) -0.1401(3) 0.0791(2) 0.0229(6) Uani 1 1 d . . . . .
C9 C -0.1185(3) 0.0987(3) 0.2230(2) 0.0254(7) Uani 1 1 d . . . . .
C1 C -0.0993(3) -0.1688(3) -0.0914(2) 0.0243(7) Uani 1 1 d . . . . .
O1 O 0.1818(2) -0.2302(2) 0.1091(2) 0.0469(6) Uani 1 1 d . . . . .
C2 C -0.1994(3) -0.2467(3) -0.0570(3) 0.0287(7) Uani 1 1 d . . . . .
H2 H -0.204264 -0.298201 -0.099208 0.034 Uiso 1 1 calc R U . . .
C7 C -0.3215(3) 0.0362(3) 0.3177(3) 0.0307(7) Uani 1 1 d . . . . .
H7 H -0.407321 0.024490 0.369735 0.037 Uiso 1 1 calc R U . . .
C17 C -0.0225(3) 0.2424(3) 0.2733(3) 0.0246(7) Uani 1 1 d . . . . .
C8 C -0.2417(3) 0.1094(3) 0.3193(3) 0.0322(7) Uani 1 1 d . . . . .
H8 H -0.262592 0.157512 0.372619 0.039 Uiso 1 1 calc R U . . .
C11 C -0.4197(3) -0.1522(3) 0.2700(2) 0.0226(7) Uani 1 1 d . . . . .
C3 C -0.2840(3) -0.2301(3) 0.0481(3) 0.0298(7) Uani 1 1 d . . . . .
H3 H -0.357167 -0.269264 0.092518 0.036 Uiso 1 1 calc R U . . .
C16 C -0.5622(3) -0.1136(3) 0.2286(3) 0.0317(7) Uani 1 1 d . . . . .
H16 H -0.585228 -0.050726 0.147557 0.038 Uiso 1 1 calc R U . . .
C15 C -0.6699(3) -0.1684(3) 0.3076(3) 0.0384(8) Uani 1 1 d . . . . .
H15 H -0.764770 -0.141379 0.279567 0.046 Uiso 1 1 calc R U . . .
C12 C -0.3888(3) -0.2457(3) 0.3927(3) 0.0334(7) Uani 1 1 d . . . . .
H12 H -0.295502 -0.270987 0.422507 0.040 Uiso 1 1 calc R U . . .
C18 C 0.0465(3) 0.1717(3) 0.3856(3) 0.0378(8) Uani 1 1 d . . . . .
H18 H 0.100995 0.074925 0.411323 0.045 Uiso 1 1 calc R U . . .
C13 C -0.4960(4) -0.3011(3) 0.4703(3) 0.0404(8) Uani 1 1 d . . . . .
H13 H -0.473727 -0.364273 0.551416 0.048 Uiso 1 1 calc R U . . .
C14 C -0.6356(4) -0.2629(4) 0.4276(3) 0.0421(9) Uani 1 1 d . . . . .
H14 H -0.706836 -0.300954 0.479888 0.051 Uiso 1 1 calc R U . . .
C10 C -0.0123(3) 0.1654(3) 0.1928(2) 0.0244(7) Uani 1 1 d . . . . .
C19 C 0.0350(4) 0.2445(4) 0.4608(3) 0.0450(9) Uani 1 1 d . . . . .
H19 H 0.081704 0.195849 0.536124 0.054 Uiso 1 1 calc R U . . .
C21 C -0.1128(4) 0.4587(4) 0.3126(3) 0.0444(9) Uani 1 1 d . . . . .
H21 H -0.166738 0.555468 0.287458 0.053 Uiso 1 1 calc R U . . .
C22 C -0.1016(4) 0.3871(3) 0.2373(3) 0.0403(8) Uani 1 1 d . . . . .
H22 H -0.147847 0.436815 0.161790 0.048 Uiso 1 1 calc R U . . .
C5 C -0.2990(3) -0.1004(3) 0.1851(2) 0.0238(6) Uani 1 1 d . . . . .
C20 C -0.0445(4) 0.3866(4) 0.4240(3) 0.0404(9) Uani 1 1 d . . . . .
H20 H -0.052221 0.434484 0.474389 0.048 Uiso 1 1 calc R U . . .
C027 C 0.3360(4) -0.2889(4) 0.0572(3) 0.0579(10) Uani 1 1 d . . . . .
H02A H 0.392567 -0.229324 0.041041 0.070 Uiso 1 1 calc R U . . .
H02B H 0.333287 -0.297189 -0.020635 0.070 Uiso 1 1 calc R U . . .
C25 C 0.1345(5) -0.3447(4) 0.1907(4) 0.0797(14) Uani 1 1 d . . . . .
H25A H 0.062454 -0.351818 0.151304 0.096 Uiso 1 1 calc R U . . .
H25B H 0.085325 -0.330587 0.268233 0.096 Uiso 1 1 calc R U . . .
C24 C 0.4109(5) -0.4334(5) 0.1547(4) 0.0885(14) Uani 1 1 d . . . . .
H24A H 0.485645 -0.498554 0.116027 0.106 Uiso 1 1 calc R U . . .
H24B H 0.460111 -0.427942 0.213993 0.106 Uiso 1 1 calc R U . . .
C23 C 0.2758(6) -0.4750(6) 0.2156(7) 0.151(3) Uani 1 1 d . . . . .
H23A H 0.270433 -0.537820 0.181928 0.181 Uiso 1 1 calc R U . . .
H23B H 0.285478 -0.523710 0.305029 0.181 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 N2 2.060(2) 2 ?
Zn1 N2 2.060(2) . ?
Zn1 N1 2.072(2) . ?
Zn1 N1 2.072(2) 2 ?
Zn1 O1 2.419(3) 2 ?
Zn1 O1 2.419(3) . ?
N1 C4 1.368(3) . ?
N1 C1 1.376(3) . ?
N2 C6 1.373(3) . ?
N2 C9 1.374(3) . ?
C6 C5 1.415(3) . ?
C6 C7 1.453(4) . ?
C4 C5 1.417(3) . ?
C4 C3 1.449(4) . ?
C9 C10 1.415(3) . ?
C9 C8 1.440(4) . ?
C1 C10 1.408(4) 2 ?
C1 C2 1.452(3) . ?
O1 C25 1.432(4) . ?
O1 C027 1.448(4) . ?
C2 C3 1.352(4) . ?
C2 H2 0.9300 . ?
C7 C8 1.356(4) . ?
C7 H7 0.9300 . ?
C17 C18 1.385(4) . ?
C17 C22 1.389(4) . ?
C17 C10 1.498(4) . ?
C8 H8 0.9300 . ?
C11 C12 1.397(4) . ?
C11 C16 1.398(4) . ?
C11 C5 1.496(3) . ?
C3 H3 0.9300 . ?
C16 C15 1.391(4) . ?
C16 H16 0.9300 . ?
C15 C14 1.381(4) . ?
C15 H15 0.9300 . ?
C12 C13 1.386(4) . ?
C12 H12 0.9300 . ?
C18 C19 1.401(4) . ?
C18 H18 0.9300 . ?
C13 C14 1.380(4) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C19 C20 1.366(5) . ?
C19 H19 0.9300 . ?
C21 C20 1.373(4) . ?
C21 C22 1.392(4) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C20 H20 0.9300 . ?
C027 C24 1.521(5) . ?
C027 H02A 0.9700 . ?
C027 H02B 0.9700 . ?
C25 C23 1.491(6) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C24 C23 1.494(6) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?

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
N2 Zn1 N2 180.0 2 . ?
N2 Zn1 N1 90.60(8) 2 . ?
N2 Zn1 N1 89.40(8) . . ?
N2 Zn1 N1 89.40(8) 2 2 ?
N2 Zn1 N1 90.60(8) . 2 ?
N1 Zn1 N1 180.0 . 2 ?
N2 Zn1 O1 92.89(9) 2 2 ?
N2 Zn1 O1 87.11(9) . 2 ?
N1 Zn1 O1 93.24(8) . 2 ?
N1 Zn1 O1 86.76(8) 2 2 ?
N2 Zn1 O1 87.11(9) 2 . ?
N2 Zn1 O1 92.89(9) . . ?
N1 Zn1 O1 86.76(8) . . ?
N1 Zn1 O1 93.24(8) 2 . ?
O1 Zn1 O1 180.00(10) 2 . ?
C4 N1 C1 107.0(2) . . ?
C4 N1 Zn1 127.04(16) . . ?
C1 N1 Zn1 125.22(16) . . ?
C6 N2 C9 106.8(2) . . ?
C6 N2 Zn1 126.56(16) . . ?
C9 N2 Zn1 125.61(16) . . ?
N2 C6 C5 126.2(2) . . ?
N2 C6 C7 109.3(2) . . ?
C5 C6 C7 124.5(2) . . ?
N1 C4 C5 125.6(2) . . ?
N1 C4 C3 109.4(2) . . ?
C5 C4 C3 125.1(2) . . ?
N2 C9 C10 126.0(2) . . ?
N2 C9 C8 109.7(2) . . ?
C10 C9 C8 124.2(2) . . ?
N1 C1 C10 126.3(2) . 2 ?
N1 C1 C2 109.3(2) . . ?
C10 C1 C2 124.4(2) 2 . ?
C25 O1 C027 107.9(3) . . ?
C25 O1 Zn1 122.0(2) . . ?
C027 O1 Zn1 123.00(19) . . ?
C3 C2 C1 106.8(2) . . ?
C3 C2 H2 126.6 . . ?
C1 C2 H2 126.6 . . ?
C8 C7 C6 106.9(2) . . ?
C8 C7 H7 126.5 . . ?
C6 C7 H7 126.5 . . ?
C18 C17 C22 118.1(3) . . ?
C18 C17 C10 121.0(3) . . ?
C22 C17 C10 120.9(3) . . ?
C7 C8 C9 107.2(2) . . ?
C7 C8 H8 126.4 . . ?
C9 C8 H8 126.4 . . ?
C12 C11 C16 118.5(2) . . ?
C12 C11 C5 119.8(2) . . ?
C16 C11 C5 121.7(2) . . ?
C2 C3 C4 107.4(2) . . ?
C2 C3 H3 126.3 . . ?
C4 C3 H3 126.3 . . ?
C15 C16 C11 120.6(3) . . ?
C15 C16 H16 119.7 . . ?
C11 C16 H16 119.7 . . ?
C14 C15 C16 119.9(3) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C13 C12 C11 120.5(3) . . ?
C13 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
C17 C18 C19 120.6(3) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 H18 119.7 . . ?
C14 C13 C12 120.3(3) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
C13 C14 C15 120.2(3) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 H14 119.9 . . ?
C1 C10 C9 125.5(2) 2 . ?
C1 C10 C17 117.2(2) 2 . ?
C9 C10 C17 117.3(2) . . ?
C20 C19 C18 120.3(3) . . ?
C20 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C20 C21 C22 120.1(3) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C17 C22 C21 121.0(3) . . ?
C17 C22 H22 119.5 . . ?
C21 C22 H22 119.5 . . ?
C6 C5 C4 124.6(2) . . ?
C6 C5 C11 117.8(2) . . ?
C4 C5 C11 117.6(2) . . ?
C19 C20 C21 120.0(3) . . ?
C19 C20 H20 120.0 . . ?
C21 C20 H20 120.0 . . ?
O1 C027 C24 106.1(3) . . ?
O1 C027 H02A 110.5 . . ?
C24 C027 H02A 110.5 . . ?
O1 C027 H02B 110.5 . . ?
C24 C027 H02B 110.5 . . ?
H02A C027 H02B 108.7 . . ?
O1 C25 C23 106.7(3) . . ?
O1 C25 H25A 110.4 . . ?
C23 C25 H25A 110.4 . . ?
O1 C25 H25B 110.4 . . ?
C23 C25 H25B 110.4 . . ?
H25A C25 H25B 108.6 . . ?
C23 C24 C027 101.6(4) . . ?
C23 C24 H24A 111.5 . . ?
C027 C24 H24A 111.5 . . ?
C23 C24 H24B 111.5 . . ?
C027 C24 H24B 111.5 . . ?
H24A C24 H24B 109.3 . . ?
C25 C23 C24 108.3(4) . . ?
C25 C23 H23A 110.0 . . ?
C24 C23 H23A 110.0 . . ?
C25 C23 H23B 110.0 . . ?
C24 C23 H23B 110.0 . . ?
H23A C23 H23B 108.4 . . ?

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
C9 N2 C6 C5 178.3(3) . . . . ?
Zn1 N2 C6 C5 9.4(4) . . . . ?
C9 N2 C6 C7 0.2(3) . . . . ?
Zn1 N2 C6 C7 -168.75(19) . . . . ?
C1 N1 C4 C5 177.3(3) . . . . ?
Zn1 N1 C4 C5 6.6(4) . . . . ?
C1 N1 C4 C3 -0.5(3) . . . . ?
Zn1 N1 C4 C3 -171.23(19) . . . . ?
C6 N2 C9 C10 -177.8(3) . . . . ?
Zn1 N2 C9 C10 -8.8(4) . . . . ?
C6 N2 C9 C8 -0.2(3) . . . . ?
Zn1 N2 C9 C8 168.81(19) . . . . ?
C4 N1 C1 C10 -177.0(3) . . . 2 ?
Zn1 N1 C1 C10 -6.0(4) . . . 2 ?
C4 N1 C1 C2 1.1(3) . . . . ?
Zn1 N1 C1 C2 172.04(19) . . . . ?
N1 C1 C2 C3 -1.3(3) . . . . ?
C10 C1 C2 C3 176.8(3) 2 . . . ?
N2 C6 C7 C8 0.0(3) . . . . ?
C5 C6 C7 C8 -178.2(3) . . . . ?
C6 C7 C8 C9 -0.1(4) . . . . ?
N2 C9 C8 C7 0.2(4) . . . . ?
C10 C9 C8 C7 177.9(3) . . . . ?
C1 C2 C3 C4 1.0(3) . . . . ?
N1 C4 C3 C2 -0.3(3) . . . . ?
C5 C4 C3 C2 -178.2(3) . . . . ?
C12 C11 C16 C15 -0.7(4) . . . . ?
C5 C11 C16 C15 176.9(3) . . . . ?
C11 C16 C15 C14 -0.7(4) . . . . ?
C16 C11 C12 C13 1.4(4) . . . . ?
C5 C11 C12 C13 -176.2(3) . . . . ?
C22 C17 C18 C19 0.6(4) . . . . ?
C10 C17 C18 C19 -179.4(3) . . . . ?
C11 C12 C13 C14 -0.9(4) . . . . ?
C12 C13 C14 C15 -0.5(5) . . . . ?
C16 C15 C14 C13 1.3(5) . . . . ?
N2 C9 C10 C1 4.0(5) . . . 2 ?
C8 C9 C10 C1 -173.2(3) . . . 2 ?
N2 C9 C10 C17 -177.8(3) . . . . ?
C8 C9 C10 C17 4.9(4) . . . . ?
C18 C17 C10 C1 -98.6(3) . . . 2 ?
C22 C17 C10 C1 81.4(3) . . . 2 ?
C18 C17 C10 C9 83.1(3) . . . . ?
C22 C17 C10 C9 -96.9(3) . . . . ?
C17 C18 C19 C20 -0.1(5) . . . . ?
C18 C17 C22 C21 -0.7(4) . . . . ?
C10 C17 C22 C21 179.2(3) . . . . ?
C20 C21 C22 C17 0.4(5) . . . . ?
N2 C6 C5 C4 -6.5(5) . . . . ?
C7 C6 C5 C4 171.4(3) . . . . ?
N2 C6 C5 C11 170.7(3) . . . . ?
C7 C6 C5 C11 -11.5(4) . . . . ?
N1 C4 C5 C6 -2.1(5) . . . . ?
C3 C4 C5 C6 175.4(3) . . . . ?
N1 C4 C5 C11 -179.2(3) . . . . ?
C3 C4 C5 C11 -1.7(4) . . . . ?
C12 C11 C5 C6 -62.5(4) . . . . ?
C16 C11 C5 C6 120.0(3) . . . . ?
C12 C11 C5 C4 114.9(3) . . . . ?
C16 C11 C5 C4 -62.7(4) . . . . ?
C18 C19 C20 C21 -0.3(5) . . . . ?
C22 C21 C20 C19 0.2(5) . . . . ?
C25 O1 C027 C24 -29.1(4) . . . . ?
Zn1 O1 C027 C24 -179.9(2) . . . . ?
C027 O1 C25 C23 15.4(5) . . . . ?
Zn1 O1 C25 C23 166.5(3) . . . . ?
O1 C027 C24 C23 30.2(5) . . . . ?
O1 C25 C23 C24 4.5(6) . . . . ?
C027 C24 C23 C25 -21.0(6) . . . . ?

_refine_diff_density_max         0.419
_refine_diff_density_min         -0.299
_refine_diff_density_rms         0.051



