# Supplementary Information (SI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2026

####################################################################### 
# 
# 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_skcabd
_database_code_depnum_ccdc_archive 'CCDC 2530388'
loop_
_audit_author_name
_audit_author_address
'A. J. Blake'
;School of Chemistry, University of Nottingham
United Kingdom
;
_audit_update_record             
;
2026-02-13 deposited with the CCDC.	2026-04-29 downloaded from the CCDC.
;

_nottingham_internal_coll_name   SKCABD
_nottingham_internal_coll_number 13785
_nottingham_internal_coll_client SKC/AJB
_nottingham_internal_coll_type   custom
_nottingham_internal_coll_frame_time 2.0000
_nottingham_internal_coll_frame_width 2.0000
_nottingham_internal_coll_frame_method 'omega scans'
_nottingham_internal_coll_user   pcxaeoc
_nottingham_internal_coll_date   8/7/2014
_nottingham_internal_coll_location NOTTS
_nottingham_internal_NCS_number  ?
_nottingham_internal_process_user pcxaeoc
_nottingham_internal_process_date 09/07/2014
_nottingham_internal_solution_user pcxaeoc
_nottingham_internal_solution_date 09/07/2014
_nottingham_internal_refinement_user pcxaeoc
_nottingham_internal_refinement_date 09/07/2014
_nottingham_internal_self_validation_user pcxaeoc
_nottingham_internal_self_validation_date 11/7/2014
_nottingham_internal_self_archive_date 11/7/2014
_nottingham_internal_validation_user AJB
_nottingham_internal_validation_date 16/7/2014
_nottingham_internal_archive_date 16/7/2014

_olex2_exptl_crystal_mounting_method 'in fomblin film on a micromount'
# This is the default assumed mounting details

_atom_sites_solution_secondary   difmap # Also an assumed default
_refine_special_details          
;
 ?
;
_audit_creation_date             2014-07-11
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.06.27 svn.r2953 for OlexSys, GUI svn.r4855)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C19 H22 Cl2 N2 Zn'
_chemical_formula_sum            'C19 H22 Cl2 N2 Zn'
_chemical_formula_weight         414.65
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C19 H21 N2 Cl2 Zn'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   15.3505(10)
_cell_length_b                   11.9330(7)
_cell_length_c                   10.5063(7)
_cell_angle_alpha                90
_cell_angle_beta                 107.988(7)
_cell_angle_gamma                90
_cell_volume                     1830.5(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7004
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      74.145
_cell_measurement_theta_min      3.0590
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.554
_exptl_absorpt_correction_T_max  0.888
_exptl_absorpt_correction_T_min  0.784
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.505
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       irregular
_exptl_crystal_F_000             856
_exptl_crystal_size_max          0.342
_exptl_crystal_size_mid          0.226
_exptl_crystal_size_min          0.147
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.029
_diffrn_reflns_av_unetI/netI     0.023
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            13117
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.272
_diffrn_reflns_theta_min         3.027
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.3271
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   38.00  130.00   2.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      104.5000  -61.0000 -150.0000 46

#__ type_ start__ end____ width___ exp.time_
  2 omega   85.00  115.00   2.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      104.5000 -125.0000  -60.0000 15

#__ type_ start__ end____ width___ exp.time_
  3 omega   75.00  115.00   2.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      104.5000 -125.0000 -150.0000 20

#__ type_ start__ end____ width___ exp.time_
  4 omega   77.00  121.00   2.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      104.5000 -125.0000 -180.0000 22

#__ type_ start__ end____ width___ exp.time_
  5 omega   54.00   80.00   2.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      104.5000  -94.0000 -120.0000 13

#__ type_ start__ end____ width___ exp.time_
  6 omega   46.00   72.00   2.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      104.5000 -125.0000 -150.0000 13

#__ type_ start__ end____ width___ exp.time_
  7 omega   43.00   85.00   2.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      104.5000  -30.0000 -150.0000 21

#__ type_ start__ end____ width___ exp.time_
  8 omega  117.00  167.00   2.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      104.5000   15.0000 -150.0000 25

#__ type_ start__ end____ width___ exp.time_
  9 omega  124.00  172.00   2.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      104.5000  125.0000    0.0000 24

#__ type_ start__ end____ width___ exp.time_
 10 omega  126.00  152.00   2.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      104.5000   77.0000   60.0000 13

#__ type_ start__ end____ width___ exp.time_
 11 omega  135.00  171.00   2.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      104.5000   30.0000  150.0000 18

#__ type_ start__ end____ width___ exp.time_
 12 omega   90.00  116.00   2.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      104.5000   77.0000   60.0000 13

#__ type_ start__ end____ width___ exp.time_
 13 omega   75.00  101.00   2.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      104.5000  125.0000    0.0000 13

#__ type_ start__ end____ width___ exp.time_
 14 omega   79.00  119.00   2.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      104.5000  125.0000 -120.0000 20

#__ type_ start__ end____ width___ exp.time_
 15 omega  130.00  164.00   2.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      104.5000  125.0000 -120.0000 17

#__ type_ start__ end____ width___ exp.time_
 16 omega   55.00   81.00   2.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      104.5000  -45.0000   30.0000 13

#__ type_ start__ end____ width___ exp.time_
 17 omega   46.00   72.00   2.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      104.5000  -30.0000  -30.0000 13

#__ type_ start__ end____ width___ exp.time_
 18 omega   31.00   87.00   2.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      104.5000  -30.0000  -60.0000 28

#__ type_ start__ end____ width___ exp.time_
 19 omega   32.00   76.00   2.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      104.5000  -30.0000  -90.0000 22

#__ type_ start__ end____ width___ exp.time_
 20 omega   54.00   80.00   2.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      104.5000  -99.0000    4.0000 13

#__ type_ start__ end____ width___ exp.time_
 21 omega   65.00   97.00   2.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      104.5000  -45.0000   90.0000 16

#__ type_ start__ end____ width___ exp.time_
 22 omega   65.00   91.00   2.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      104.5000  -45.0000  120.0000 13

#__ type_ start__ end____ width___ exp.time_
 23 omega   42.00   72.00   2.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      104.5000 -125.0000  150.0000 15

#__ type_ start__ end____ width___ exp.time_
 24 omega   25.00   81.00   2.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      104.5000  -94.0000  150.0000 28

#__ type_ start__ end____ width___ exp.time_
 25 omega -105.00   -9.00   2.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      -38.5000  -77.0000 -150.0000 48

#__ type_ start__ end____ width___ exp.time_
 26 omega -109.00  -25.00   2.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      -38.5000  -37.0000   90.0000 42
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'GV1000, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0534262000
_diffrn_orient_matrix_UB_12      -0.0072715000
_diffrn_orient_matrix_UB_13      0.1502000000
_diffrn_orient_matrix_UB_21      0.0844848000
_diffrn_orient_matrix_UB_22      0.0520238000
_diffrn_orient_matrix_UB_23      -0.0270761000
_diffrn_orient_matrix_UB_31      -0.0337949000
_diffrn_orient_matrix_UB_32      0.1180030000
_diffrn_orient_matrix_UB_33      0.0212094000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'rotating-anode X-ray tube'
_diffrn_source_type              'GV1000 (Cu) X-ray Source'
_reflns_Friedel_coverage         .
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3504
_reflns_number_total             3693
_reflns_odcompleteness_completeness 99.62
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.34
_refine_diff_density_min         -0.46
_refine_diff_density_rms         0.07
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.10
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     222
_refine_ls_number_reflns         3693
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0272
_refine_ls_R_factor_gt           0.0255
_refine_ls_restrained_S_all      1.10
_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)+(0.038P)²+0.522P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0674
_refine_ls_wR_factor_ref         0.0685
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C16(H16A,H16B), C17(H17A,H17B)
2.b Aromatic/amide H refined with riding coordinates:
 C11(H11), C12(H12), C2(H2), C14(H14), C3(H3), C6(H6), C1(H1A), C7(H7), C13(H13)
2.c Idealised Me refined as rotating group:
 C18(H18A,H18B,H18C), C19(H19A,H19B,H19C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct

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 0.60230(2) 0.36818(2) 0.16300(2) 0.01426(8) Uani 1 1 d . . . . .
Cl2 Cl 0.68482(3) 0.21601(3) 0.24804(4) 0.02094(10) Uani 1 1 d . . . . .
Cl1 Cl 0.46576(3) 0.33602(3) 0.01685(4) 0.02310(10) Uani 1 1 d . . . . .
N1 N 0.70284(8) 0.47488(11) 0.13518(13) 0.0142(2) Uani 1 1 d . . . . .
H1 H 0.6771(13) 0.5303(17) 0.089(2) 0.017 Uiso 1 1 d R . . . .
C10 C 0.84209(10) 0.50888(13) 0.05966(16) 0.0166(3) Uani 1 1 d . . . . .
C11 C 0.73236(11) 0.57731(14) -0.15515(17) 0.0208(3) Uani 1 1 d . . . . .
H11 H 0.6852 0.5309 -0.1431 0.025 Uiso 1 1 calc R . . . .
C9 C 0.82054(10) 0.57750(13) -0.05507(16) 0.0173(3) Uani 1 1 d . . . . .
C4 C 0.92996(10) 0.51607(14) 0.15626(16) 0.0192(3) Uani 1 1 d . . . . .
C12 C 0.71464(13) 0.64228(14) -0.26737(19) 0.0258(4) Uani 1 1 d . . . . .
H12 H 0.6554 0.6410 -0.3314 0.031 Uiso 1 1 calc R . . . .
C15 C 0.77124(10) 0.42602(12) 0.07608(15) 0.0158(3) Uani 1 1 d . . . . .
H15A H 0.7382 0.3941 -0.0127 0.019 Uiso 1 1 calc R . . . .
H15B H 0.8034 0.3637 0.1338 0.019 Uiso 1 1 calc R . . . .
C2 C 1.04239(13) 0.46119(19) 0.3677(2) 0.0335(4) Uani 1 1 d . . . . .
H2 H 1.0587 0.4164 0.4463 0.040 Uiso 1 1 calc R . . . .
C8 C 0.88870(12) 0.65210(13) -0.07596(18) 0.0212(3) Uani 1 1 d . . . . .
C5 C 0.99609(11) 0.59389(15) 0.13604(18) 0.0229(3) Uani 1 1 d . . . . .
C14 C 0.86734(14) 0.71690(14) -0.1961(2) 0.0285(4) Uani 1 1 d . . . . .
H14 H 0.9127 0.7647 -0.2109 0.034 Uiso 1 1 calc R . . . .
C3 C 0.95770(11) 0.44943(16) 0.27571(17) 0.0252(4) Uani 1 1 d . . . . .
H3 H 0.9163 0.3959 0.2912 0.030 Uiso 1 1 calc R . . . .
C6 C 1.08431(12) 0.60248(18) 0.2353(2) 0.0329(4) Uani 1 1 d . . . . .
H6 H 1.1281 0.6536 0.2219 0.039 Uiso 1 1 calc R . . . .
C1 C 1.10612(12) 0.53926(19) 0.3472(2) 0.0369(5) Uani 1 1 d . . . . .
H1A H 1.1645 0.5472 0.4125 0.044 Uiso 1 1 calc R . . . .
C7 C 0.97428(12) 0.65824(14) 0.0205(2) 0.0260(4) Uani 1 1 d . . . . .
H7 H 1.0190 0.7078 0.0068 0.031 Uiso 1 1 calc R . . . .
C13 C 0.78365(15) 0.71155(15) -0.2894(2) 0.0305(4) Uani 1 1 d . . . . .
H13 H 0.7712 0.7542 -0.3693 0.037 Uiso 1 1 calc R . . . .
N2 N 0.59836(8) 0.47566(11) 0.31993(13) 0.0166(3) Uani 1 1 d . . . . .
C16 C 0.74430(10) 0.51426(13) 0.27517(15) 0.0167(3) Uani 1 1 d . . . . .
H16A H 0.7911 0.5723 0.2787 0.020 Uiso 1 1 calc R . . . .
H16B H 0.7744 0.4510 0.3330 0.020 Uiso 1 1 calc R . . . .
C18 C 0.62432(12) 0.41108(15) 0.44697(16) 0.0222(3) Uani 1 1 d . . . . .
H18A H 0.5781 0.3534 0.4426 0.033 Uiso 1 1 calc GR . . . .
H18B H 0.6280 0.4618 0.5218 0.033 Uiso 1 1 calc GR . . . .
H18C H 0.6840 0.3754 0.4603 0.033 Uiso 1 1 calc GR . . . .
C17 C 0.66893(11) 0.56254(13) 0.32418(16) 0.0180(3) Uani 1 1 d . . . . .
H17A H 0.6955 0.5901 0.4170 0.022 Uiso 1 1 calc R . . . .
H17B H 0.6400 0.6268 0.2671 0.022 Uiso 1 1 calc R . . . .
C19 C 0.50901(11) 0.53076(16) 0.30142(18) 0.0254(4) Uani 1 1 d . . . . .
H19A H 0.4896 0.5691 0.2147 0.038 Uiso 1 1 calc GR . . . .
H19B H 0.5149 0.5855 0.3732 0.038 Uiso 1 1 calc GR . . . .
H19C H 0.4633 0.4742 0.3041 0.038 Uiso 1 1 calc GR . . . .


_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 Cl2 2.2363(4) . ?
Zn1 Cl1 2.2160(5) . ?
Zn1 N1 2.0897(13) . ?
Zn1 N2 2.1044(13) . ?
N1 H1 0.84(2) . ?
N1 C15 1.4935(19) . ?
N1 C16 1.4869(19) . ?
C10 C9 1.409(2) . ?
C10 C4 1.418(2) . ?
C10 C15 1.519(2) . ?
C11 H11 0.9500 . ?
C11 C9 1.435(2) . ?
C11 C12 1.366(2) . ?
C9 C8 1.441(2) . ?
C4 C5 1.439(2) . ?
C4 C3 1.435(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.418(3) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C2 H2 0.9500 . ?
C2 C3 1.367(3) . ?
C2 C1 1.415(3) . ?
C8 C14 1.429(3) . ?
C8 C7 1.391(3) . ?
C5 C6 1.435(3) . ?
C5 C7 1.387(3) . ?
C14 H14 0.9500 . ?
C14 C13 1.355(3) . ?
C3 H3 0.9500 . ?
C6 H6 0.9500 . ?
C6 C1 1.349(3) . ?
C1 H1A 0.9500 . ?
C7 H7 0.9500 . ?
C13 H13 0.9500 . ?
N2 C18 1.485(2) . ?
N2 C17 1.4901(19) . ?
N2 C19 1.479(2) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.518(2) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?

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
Cl1 Zn1 Cl2 115.724(17) . . ?
N1 Zn1 Cl2 101.48(4) . . ?
N1 Zn1 Cl1 126.15(4) . . ?
N1 Zn1 N2 86.53(5) . . ?
N2 Zn1 Cl2 109.37(4) . . ?
N2 Zn1 Cl1 113.49(4) . . ?
Zn1 N1 H1 108.9(13) . . ?
C15 N1 Zn1 117.69(9) . . ?
C15 N1 H1 109.3(14) . . ?
C16 N1 Zn1 99.40(9) . . ?
C16 N1 H1 107.7(13) . . ?
C16 N1 C15 113.17(12) . . ?
C9 C10 C4 119.80(14) . . ?
C9 C10 C15 119.23(14) . . ?
C4 C10 C15 120.95(14) . . ?
C9 C11 H11 119.2 . . ?
C12 C11 H11 119.2 . . ?
C12 C11 C9 121.52(16) . . ?
C10 C9 C11 123.02(14) . . ?
C10 C9 C8 119.96(15) . . ?
C11 C9 C8 117.02(15) . . ?
C10 C4 C5 119.45(15) . . ?
C10 C4 C3 123.53(15) . . ?
C3 C4 C5 117.02(15) . . ?
C11 C12 H12 119.6 . . ?
C11 C12 C13 120.78(17) . . ?
C13 C12 H12 119.6 . . ?
N1 C15 C10 114.40(12) . . ?
N1 C15 H15A 108.7 . . ?
N1 C15 H15B 108.7 . . ?
C10 C15 H15A 108.7 . . ?
C10 C15 H15B 108.7 . . ?
H15A C15 H15B 107.6 . . ?
C3 C2 H2 119.6 . . ?
C3 C2 C1 120.8(2) . . ?
C1 C2 H2 119.6 . . ?
C14 C8 C9 119.29(16) . . ?
C7 C8 C9 119.23(16) . . ?
C7 C8 C14 121.48(16) . . ?
C6 C5 C4 119.29(17) . . ?
C7 C5 C4 119.72(15) . . ?
C7 C5 C6 120.99(17) . . ?
C8 C14 H14 119.3 . . ?
C13 C14 C8 121.37(16) . . ?
C13 C14 H14 119.3 . . ?
C4 C3 H3 119.3 . . ?
C2 C3 C4 121.48(18) . . ?
C2 C3 H3 119.3 . . ?
C5 C6 H6 119.4 . . ?
C1 C6 C5 121.18(18) . . ?
C1 C6 H6 119.4 . . ?
C2 C1 H1A 119.9 . . ?
C6 C1 C2 120.24(17) . . ?
C6 C1 H1A 119.9 . . ?
C8 C7 H7 119.1 . . ?
C5 C7 C8 121.78(15) . . ?
C5 C7 H7 119.1 . . ?
C12 C13 H13 120.0 . . ?
C14 C13 C12 119.93(17) . . ?
C14 C13 H13 120.0 . . ?
C18 N2 Zn1 108.86(10) . . ?
C18 N2 C17 110.07(12) . . ?
C17 N2 Zn1 104.53(9) . . ?
C19 N2 Zn1 114.70(10) . . ?
C19 N2 C18 109.24(13) . . ?
C19 N2 C17 109.32(13) . . ?
N1 C16 H16A 110.0 . . ?
N1 C16 H16B 110.0 . . ?
N1 C16 C17 108.50(12) . . ?
H16A C16 H16B 108.4 . . ?
C17 C16 H16A 110.0 . . ?
C17 C16 H16B 110.0 . . ?
N2 C18 H18A 109.5 . . ?
N2 C18 H18B 109.5 . . ?
N2 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N2 C17 C16 110.43(12) . . ?
N2 C17 H17A 109.6 . . ?
N2 C17 H17B 109.6 . . ?
C16 C17 H17A 109.6 . . ?
C16 C17 H17B 109.6 . . ?
H17A C17 H17B 108.1 . . ?
N2 C19 H19A 109.5 . . ?
N2 C19 H19B 109.5 . . ?
N2 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?

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
Zn1 N1 C15 C10 -179.78(10) . . . . ?
Zn1 N1 C16 C17 -54.65(12) . . . . ?
Zn1 N2 C17 C16 -28.90(14) . . . . ?
N1 C16 C17 N2 59.91(16) . . . . ?
C10 C9 C8 C14 176.80(14) . . . . ?
C10 C9 C8 C7 -2.3(2) . . . . ?
C10 C4 C5 C6 178.79(15) . . . . ?
C10 C4 C5 C7 -2.1(2) . . . . ?
C10 C4 C3 C2 -178.36(16) . . . . ?
C11 C9 C8 C14 -3.1(2) . . . . ?
C11 C9 C8 C7 177.80(14) . . . . ?
C11 C12 C13 C14 -2.4(3) . . . . ?
C9 C10 C4 C5 0.2(2) . . . . ?
C9 C10 C4 C3 -179.94(14) . . . . ?
C9 C10 C15 N1 -84.05(17) . . . . ?
C9 C11 C12 C13 0.7(3) . . . . ?
C9 C8 C14 C13 1.5(2) . . . . ?
C9 C8 C7 C5 0.4(2) . . . . ?
C4 C10 C9 C11 -178.16(14) . . . . ?
C4 C10 C9 C8 2.0(2) . . . . ?
C4 C10 C15 N1 97.49(16) . . . . ?
C4 C5 C6 C1 -0.2(3) . . . . ?
C4 C5 C7 C8 1.8(2) . . . . ?
C12 C11 C9 C10 -177.87(15) . . . . ?
C12 C11 C9 C8 2.0(2) . . . . ?
C15 N1 C16 C17 179.68(12) . . . . ?
C15 C10 C9 C11 3.4(2) . . . . ?
C15 C10 C9 C8 -176.52(13) . . . . ?
C15 C10 C4 C5 178.67(14) . . . . ?
C15 C10 C4 C3 -1.5(2) . . . . ?
C8 C14 C13 C12 1.3(3) . . . . ?
C5 C4 C3 C2 1.5(2) . . . . ?
C5 C6 C1 C2 1.2(3) . . . . ?
C14 C8 C7 C5 -178.66(15) . . . . ?
C3 C4 C5 C6 -1.1(2) . . . . ?
C3 C4 C5 C7 178.06(15) . . . . ?
C3 C2 C1 C6 -0.8(3) . . . . ?
C6 C5 C7 C8 -179.13(16) . . . . ?
C1 C2 C3 C4 -0.6(3) . . . . ?
C7 C8 C14 C13 -179.39(16) . . . . ?
C7 C5 C6 C1 -179.35(17) . . . . ?
C16 N1 C15 C10 -64.62(16) . . . . ?
C18 N2 C17 C16 87.86(15) . . . . ?
C19 N2 C17 C16 -152.15(13) . . . . ?

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-6 6 2 0.1256 -5.9915 6.0082 1.9973 -0.0638 -0.2477 0.9538
-5 5 -2 0.1473 -4.9951 5.0066 -2.0039 -0.6043 -0.1073 0.7171
-4 -1 -5 0.1018 -4.0047 -0.9985 -5.0013 -0.9579 -0.2549 -0.0886
-7 5 4 0.0997 -6.9917 5.0082 3.9990 0.1907 -0.4384 0.9121
-8 -3 5 0.1084 -8.0018 -2.9969 5.0050 0.3460 -0.9675 0.0229
-7 4 4 0.0951 -6.9930 4.0075 3.9997 0.1980 -0.4906 0.7941
-3 7 -2 0.1613 -2.9923 7.0068 -2.0054 -0.5120 0.1660 0.8854
4 -6 -4 0.1384 3.9900 -6.0070 -3.9981 -0.3437 0.1328 -0.9285
2 -4 5 0.1275 1.9979 -4.0039 5.0049 0.8876 -0.1750 -0.4338
-2 2 7 0.1096 -1.9933 2.0031 7.0020 0.9306 -0.2538 0.4522
-3 6 5 0.1192 -2.9893 6.0065 4.9985 0.5474 -0.0754 0.9158
10 1 -2 0.0553 10.0011 0.9943 -2.0024 0.2263 0.9509 -0.2631
3 -7 -2 0.1661 2.9898 -7.0070 -1.9964 -0.0892 -0.0579 -0.9702
-8 -4 1 0.0644 -8.0055 -3.9978 1.0038 -0.2479 -0.9115 -0.1799
3 7 0 0.1458 3.0096 7.0031 -0.0050 0.1091 0.6187 0.7246
1 0 -7 0.0990 0.9959 -0.0010 -7.0033 -0.9987 0.2737 -0.1823
-8 4 2 0.0940 -7.9943 4.0080 1.9988 -0.1560 -0.5210 0.7855
-8 0 5 0.1042 -7.9978 0.0053 5.0029 0.3241 -0.8109 0.3770

_olex2_submission_special_instructions 'No special instructions were received'
