# Electronic Supplementary Material (ESI) for CrystEngComm
# This journal is © The Royal Society of Chemistry 2013

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
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data_1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C22 H15 Cl N3 O5 Zn'
_chemical_formula_weight         502.19

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'
Cl Cl 0.1484 0.1585 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/c

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'

_cell_length_a                   9.4500(19)
_cell_length_b                   19.880(4)
_cell_length_c                   13.513(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 127.380(19)
_cell_angle_gamma                90.00
_cell_volume                     2017.3(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    3549
_cell_measurement_theta_min      3.04
_cell_measurement_theta_max      25.03

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.654
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1020
_exptl_absorpt_coefficient_mu    1.392
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            15468
_diffrn_reflns_av_R_equivalents  0.0275
_diffrn_reflns_av_sigmaI/netI    0.0244
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.04
_diffrn_reflns_theta_max         25.03
_reflns_number_total             3549
_reflns_number_gt                3362
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F^2^, conventional R-factors R are based 
 on F, with F set to zero for negative F^2^. The threshold expression of 
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0542P)^2^+1.5718P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3549
_refine_ls_number_parameters     289
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0343
_refine_ls_R_factor_gt           0.0328
_refine_ls_wR_factor_ref         0.0926
_refine_ls_wR_factor_gt          0.0914
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.001
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn -0.13837(3) -0.395504(13) -0.66788(3) 0.03022(12) Uani 1 1 d . . .
Cl1 Cl -0.27066(10) -0.42280(4) -0.87172(7) 0.0553(2) Uani 1 1 d . . .
O1 O 0.0762(2) -0.45212(10) -0.5634(2) 0.0482(5) Uani 1 1 d . . .
O2 O 0.1566(2) -0.37074(9) -0.62844(19) 0.0452(5) Uani 1 1 d . . .
O3 O -0.2983(2) -0.43168(9) -0.63430(16) 0.0360(4) Uani 1 1 d . . .
O4 O -0.1269(2) -0.39733(9) -0.43787(18) 0.0417(4) Uani 1 1 d . . .
N1 N -0.1657(3) -0.29285(10) -0.66825(19) 0.0342(4) Uani 1 1 d . . .
N2 N -0.2514(3) 0.05661(10) -0.64240(18) 0.0323(4) Uani 1 1 d . . .
N3 N -0.4994(4) 0.25770(14) -0.4595(3) 0.0662(8) Uani 1 1 d . . .
C1 C -0.1237(4) -0.25198(13) -0.7253(3) 0.0413(6) Uani 1 1 d . . .
H1A H -0.0790 -0.2710 -0.7641 0.050 Uiso 1 1 calc R . .
C2 C -0.1430(4) -0.18324(13) -0.7295(3) 0.0408(6) Uani 1 1 d . . .
H2A H -0.1116 -0.1566 -0.7700 0.049 Uiso 1 1 calc R . .
C3 C -0.2321(4) -0.26483(13) -0.6143(3) 0.0443(6) Uani 1 1 d . . .
H3A H -0.2634 -0.2926 -0.5751 0.053 Uiso 1 1 calc R . .
C4 C -0.2556(4) -0.19679(13) -0.6145(3) 0.0453(6) Uani 1 1 d . . .
H4A H -0.3020 -0.1792 -0.5759 0.054 Uiso 1 1 calc R . .
C5 C -0.2100(3) -0.15415(11) -0.6724(2) 0.0333(5) Uani 1 1 d . . .
C6 C -0.2295(3) -0.08030(12) -0.6689(2) 0.0338(5) Uani 1 1 d . . .
C7 C -0.3603(3) -0.05386(12) -0.6631(2) 0.0374(5) Uani 1 1 d . . .
H7A H -0.4419 -0.0825 -0.6676 0.045 Uiso 1 1 calc R . .
C8 C -0.3700(3) 0.01411(12) -0.6508(2) 0.0367(5) Uani 1 1 d . . .
H8A H -0.4593 0.0312 -0.6482 0.044 Uiso 1 1 calc R . .
C9 C -0.1142(3) -0.03520(12) -0.6660(2) 0.0358(5) Uani 1 1 d . . .
H9A H -0.0290 -0.0509 -0.6741 0.043 Uiso 1 1 calc R . .
C10 C -0.1258(3) 0.03227(13) -0.6511(2) 0.0364(5) Uani 1 1 d . . .
H10A H -0.0460 0.0618 -0.6470 0.044 Uiso 1 1 calc R . .
C11 C -0.2628(3) 0.12846(13) -0.6262(2) 0.0356(5) Uani 1 1 d . . .
C12 C -0.2111(4) 0.17465(13) -0.6752(3) 0.0468(7) Uani 1 1 d . . .
H12A H -0.1686 0.1601 -0.7181 0.056 Uiso 1 1 calc R . .
C13 C -0.2230(5) 0.24233(15) -0.6598(3) 0.0570(8) Uani 1 1 d . . .
H13A H -0.1845 0.2734 -0.6902 0.068 Uiso 1 1 calc R . .
C14 C -0.2911(4) 0.26446(14) -0.6002(3) 0.0505(7) Uani 1 1 d . . .
H14A H -0.3007 0.3103 -0.5914 0.061 Uiso 1 1 calc R . .
C15 C -0.3276(3) 0.14910(13) -0.5636(2) 0.0393(6) Uani 1 1 d . . .
H15A H -0.3590 0.1179 -0.5288 0.047 Uiso 1 1 calc R . .
C16 C -0.3453(4) 0.21777(13) -0.5534(3) 0.0427(6) Uani 1 1 d . . .
C17 C -0.4278(4) 0.23982(15) -0.4984(3) 0.0505(7) Uani 1 1 d . . .
C18 C 0.1842(3) -0.42603(12) -0.5776(2) 0.0309(5) Uani 1 1 d . . .
C19 C -0.2504(3) -0.43043(11) -0.5238(2) 0.0283(5) Uani 1 1 d . . .
C20 C -0.3749(3) -0.46841(11) -0.5087(2) 0.0261(4) Uani 1 1 d . . .
C21 C -0.5260(3) -0.43459(11) -0.5413(2) 0.0282(5) Uani 1 1 d . . .
H21A H -0.5442 -0.3904 -0.5693 0.034 Uiso 1 1 calc R . .
C22 C 0.3485(3) -0.46507(11) -0.5333(2) 0.0266(4) Uani 1 1 d . . .
O5 O 0.2273(4) -0.41495(18) -0.2174(4) 0.1345(17) Uani 1 1 d . . .
H1 H 0.1351 -0.4132 -0.2930 0.202 Uiso 1 1 d R . .
H2 H 0.2455 -0.4436 -0.1641 0.202 Uiso 1 1 d R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Zn1 0.02739(17) 0.02976(18) 0.04252(19) 0.00638(10) 0.02591(15) 0.00595(9)
Cl1 0.0474(4) 0.0828(5) 0.0438(4) -0.0026(3) 0.0319(3) 0.0045(3)
O1 0.0372(10) 0.0534(11) 0.0743(13) 0.0268(10) 0.0443(10) 0.0198(8)
O2 0.0412(10) 0.0359(10) 0.0700(13) 0.0173(9) 0.0397(10) 0.0153(8)
O3 0.0294(8) 0.0485(10) 0.0390(9) 0.0056(7) 0.0254(8) -0.0015(7)
O4 0.0337(10) 0.0467(11) 0.0469(10) -0.0085(8) 0.0257(9) -0.0094(7)
N1 0.0326(10) 0.0315(10) 0.0478(12) 0.0069(8) 0.0293(10) 0.0062(8)
N2 0.0329(10) 0.0315(10) 0.0336(10) 0.0035(8) 0.0209(9) 0.0033(8)
N3 0.0744(19) 0.0553(16) 0.098(2) -0.0150(15) 0.0672(19) -0.0059(14)
C1 0.0511(16) 0.0354(13) 0.0569(16) 0.0073(11) 0.0429(14) 0.0080(11)
C2 0.0499(15) 0.0365(14) 0.0530(15) 0.0105(11) 0.0401(14) 0.0069(11)
C3 0.0547(16) 0.0347(13) 0.0703(18) 0.0120(12) 0.0519(16) 0.0083(11)
C4 0.0585(17) 0.0370(13) 0.0681(18) 0.0089(12) 0.0528(16) 0.0096(12)
C5 0.0316(12) 0.0316(12) 0.0399(13) 0.0069(9) 0.0234(11) 0.0058(9)
C6 0.0348(13) 0.0330(12) 0.0353(12) 0.0063(10) 0.0222(11) 0.0057(10)
C7 0.0344(13) 0.0342(13) 0.0489(14) 0.0063(10) 0.0279(12) 0.0034(10)
C8 0.0324(12) 0.0387(13) 0.0420(13) 0.0043(10) 0.0241(11) 0.0057(10)
C9 0.0395(13) 0.0351(13) 0.0424(14) 0.0056(10) 0.0299(12) 0.0061(10)
C10 0.0380(14) 0.0387(14) 0.0401(13) 0.0038(10) 0.0277(12) 0.0011(10)
C11 0.0351(12) 0.0347(12) 0.0355(12) -0.0021(10) 0.0206(11) 0.0004(10)
C12 0.0676(19) 0.0380(14) 0.0531(16) -0.0044(12) 0.0462(16) -0.0047(13)
C13 0.084(2) 0.0382(15) 0.067(2) -0.0041(13) 0.0555(19) -0.0104(15)
C14 0.0634(19) 0.0362(14) 0.0556(17) -0.0078(12) 0.0380(16) -0.0025(13)
C15 0.0369(13) 0.0400(14) 0.0437(14) -0.0016(11) 0.0259(12) -0.0005(10)
C16 0.0391(14) 0.0429(14) 0.0454(14) -0.0086(11) 0.0253(12) 0.0003(11)
C17 0.0521(17) 0.0436(15) 0.0635(18) -0.0106(13) 0.0390(16) -0.0042(13)
C18 0.0276(11) 0.0346(12) 0.0365(12) 0.0028(10) 0.0226(10) 0.0079(9)
C19 0.0254(11) 0.0277(11) 0.0383(12) 0.0045(9) 0.0228(10) 0.0066(9)
C20 0.0246(11) 0.0293(11) 0.0305(11) 0.0020(8) 0.0199(9) 0.0025(8)
C21 0.0287(11) 0.0258(11) 0.0366(12) 0.0050(9) 0.0232(10) 0.0050(9)
C22 0.0248(11) 0.0298(11) 0.0314(11) 0.0029(9) 0.0203(10) 0.0045(8)
O5 0.074(2) 0.091(2) 0.136(3) -0.024(2) 0.010(2) 0.0020(18)

_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 O3 1.9597(16) . ?
Zn1 O1 1.9737(18) . ?
Zn1 N1 2.057(2) . ?
Zn1 Cl1 2.2942(11) . ?
Zn1 C18 2.575(2) . ?
O1 C18 1.259(3) . ?
O2 C18 1.237(3) . ?
O3 C19 1.271(3) . ?
O4 C19 1.223(3) . ?
N1 C1 1.336(3) . ?
N1 C3 1.338(3) . ?
N2 C10 1.352(3) . ?
N2 C8 1.352(3) . ?
N2 C11 1.459(3) . ?
N3 C17 1.136(4) . ?
C1 C2 1.375(4) . ?
C1 H1A 0.9300 . ?
C2 C5 1.387(3) . ?
C2 H2A 0.9300 . ?
C3 C4 1.371(4) . ?
C3 H3A 0.9300 . ?
C4 C5 1.388(3) . ?
C4 H4A 0.9300 . ?
C5 C6 1.484(3) . ?
C6 C7 1.388(3) . ?
C6 C9 1.393(3) . ?
C7 C8 1.371(4) . ?
C7 H7A 0.9300 . ?
C8 H8A 0.9300 . ?
C9 C10 1.370(4) . ?
C9 H9A 0.9300 . ?
C10 H10A 0.9300 . ?
C11 C15 1.375(4) . ?
C11 C12 1.383(4) . ?
C12 C13 1.376(4) . ?
C12 H12A 0.9300 . ?
C13 C14 1.373(4) . ?
C13 H13A 0.9300 . ?
C14 C16 1.385(4) . ?
C14 H14A 0.9300 . ?
C15 C16 1.392(4) . ?
C15 H15A 0.9300 . ?
C16 C17 1.434(4) . ?
C18 C22 1.498(3) . ?
C19 C20 1.512(3) . ?
C20 C21 1.387(3) . ?
C20 C22 1.400(3) 3_544 ?
C21 C22 1.393(3) 1_455 ?
C21 H21A 0.9300 . ?
C22 C21 1.393(3) 1_655 ?
C22 C20 1.400(3) 3_544 ?
O5 H1 0.8500 . ?
O5 H2 0.8500 . ?

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 O1 103.12(7) . . ?
O3 Zn1 N1 104.55(8) . . ?
O1 Zn1 N1 129.84(9) . . ?
O3 Zn1 Cl1 104.86(6) . . ?
O1 Zn1 Cl1 107.35(7) . . ?
N1 Zn1 Cl1 104.82(6) . . ?
O3 Zn1 C18 131.40(7) . . ?
O1 Zn1 C18 28.40(7) . . ?
N1 Zn1 C18 110.23(8) . . ?
Cl1 Zn1 C18 97.96(6) . . ?
C18 O1 Zn1 103.40(15) . . ?
C19 O3 Zn1 119.35(15) . . ?
C1 N1 C3 117.6(2) . . ?
C1 N1 Zn1 121.61(17) . . ?
C3 N1 Zn1 120.76(16) . . ?
C10 N2 C8 119.7(2) . . ?
C10 N2 C11 120.8(2) . . ?
C8 N2 C11 119.4(2) . . ?
N1 C1 C2 123.4(2) . . ?
N1 C1 H1A 118.3 . . ?
C2 C1 H1A 118.3 . . ?
C1 C2 C5 119.0(2) . . ?
C1 C2 H2A 120.5 . . ?
C5 C2 H2A 120.5 . . ?
N1 C3 C4 122.6(2) . . ?
N1 C3 H3A 118.7 . . ?
C4 C3 H3A 118.7 . . ?
C3 C4 C5 119.9(2) . . ?
C3 C4 H4A 120.0 . . ?
C5 C4 H4A 120.0 . . ?
C4 C5 C2 117.5(2) . . ?
C4 C5 C6 120.0(2) . . ?
C2 C5 C6 122.5(2) . . ?
C7 C6 C9 117.5(2) . . ?
C7 C6 C5 120.5(2) . . ?
C9 C6 C5 121.9(2) . . ?
C8 C7 C6 120.5(2) . . ?
C8 C7 H7A 119.7 . . ?
C6 C7 H7A 119.7 . . ?
N2 C8 C7 120.8(2) . . ?
N2 C8 H8A 119.6 . . ?
C7 C8 H8A 119.6 . . ?
C10 C9 C6 120.2(2) . . ?
C10 C9 H9A 119.9 . . ?
C6 C9 H9A 119.9 . . ?
N2 C10 C9 121.0(2) . . ?
N2 C10 H10A 119.5 . . ?
C9 C10 H10A 119.5 . . ?
C15 C11 C12 121.0(2) . . ?
C15 C11 N2 119.1(2) . . ?
C12 C11 N2 119.9(2) . . ?
C13 C12 C11 119.5(3) . . ?
C13 C12 H12A 120.3 . . ?
C11 C12 H12A 120.3 . . ?
C14 C13 C12 120.8(3) . . ?
C14 C13 H13A 119.6 . . ?
C12 C13 H13A 119.6 . . ?
C13 C14 C16 119.2(3) . . ?
C13 C14 H14A 120.4 . . ?
C16 C14 H14A 120.4 . . ?
C11 C15 C16 118.6(2) . . ?
C11 C15 H15A 120.7 . . ?
C16 C15 H15A 120.7 . . ?
C14 C16 C15 120.8(3) . . ?
C14 C16 C17 120.0(3) . . ?
C15 C16 C17 119.1(3) . . ?
N3 C17 C16 177.2(4) . . ?
O2 C18 O1 122.3(2) . . ?
O2 C18 C22 120.0(2) . . ?
O1 C18 C22 117.7(2) . . ?
O2 C18 Zn1 74.82(13) . . ?
O1 C18 Zn1 48.20(11) . . ?
C22 C18 Zn1 162.40(16) . . ?
O4 C19 O3 125.4(2) . . ?
O4 C19 C20 120.8(2) . . ?
O3 C19 C20 113.40(19) . . ?
C21 C20 C22 118.8(2) . 3_544 ?
C21 C20 C19 116.78(19) . . ?
C22 C20 C19 124.38(19) 3_544 . ?
C20 C21 C22 121.7(2) . 1_455 ?
C20 C21 H21A 119.1 . . ?
C22 C21 H21A 119.1 1_455 . ?
C21 C22 C20 119.5(2) 1_655 3_544 ?
C21 C22 C18 117.91(19) 1_655 . ?
C20 C22 C18 122.5(2) 3_544 . ?
H1 O5 H2 125.3 . . ?

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 O1 C18 -175.44(16) . . . . ?
N1 Zn1 O1 C18 -53.4(2) . . . . ?
Cl1 Zn1 O1 C18 74.15(17) . . . . ?
O1 Zn1 O3 C19 60.41(18) . . . . ?
N1 Zn1 O3 C19 -77.32(17) . . . . ?
Cl1 Zn1 O3 C19 172.66(15) . . . . ?
C18 Zn1 O3 C19 57.5(2) . . . . ?
O3 Zn1 N1 C1 -158.4(2) . . . . ?
O1 Zn1 N1 C1 80.1(2) . . . . ?
Cl1 Zn1 N1 C1 -48.4(2) . . . . ?
C18 Zn1 N1 C1 56.1(2) . . . . ?
O3 Zn1 N1 C3 19.4(2) . . . . ?
O1 Zn1 N1 C3 -102.0(2) . . . . ?
Cl1 Zn1 N1 C3 129.5(2) . . . . ?
C18 Zn1 N1 C3 -126.1(2) . . . . ?
C3 N1 C1 C2 0.9(4) . . . . ?
Zn1 N1 C1 C2 178.8(2) . . . . ?
N1 C1 C2 C5 -0.2(4) . . . . ?
C1 N1 C3 C4 -0.8(4) . . . . ?
Zn1 N1 C3 C4 -178.7(2) . . . . ?
N1 C3 C4 C5 0.0(5) . . . . ?
C3 C4 C5 C2 0.6(4) . . . . ?
C3 C4 C5 C6 -177.9(3) . . . . ?
C1 C2 C5 C4 -0.5(4) . . . . ?
C1 C2 C5 C6 177.9(2) . . . . ?
C4 C5 C6 C7 -30.0(4) . . . . ?
C2 C5 C6 C7 151.6(3) . . . . ?
C4 C5 C6 C9 147.2(3) . . . . ?
C2 C5 C6 C9 -31.1(4) . . . . ?
C9 C6 C7 C8 -2.1(4) . . . . ?
C5 C6 C7 C8 175.3(2) . . . . ?
C10 N2 C8 C7 2.6(4) . . . . ?
C11 N2 C8 C7 -178.4(2) . . . . ?
C6 C7 C8 N2 -0.9(4) . . . . ?
C7 C6 C9 C10 3.4(4) . . . . ?
C5 C6 C9 C10 -173.9(2) . . . . ?
C8 N2 C10 C9 -1.3(4) . . . . ?
C11 N2 C10 C9 179.8(2) . . . . ?
C6 C9 C10 N2 -1.8(4) . . . . ?
C10 N2 C11 C15 -150.8(2) . . . . ?
C8 N2 C11 C15 30.3(3) . . . . ?
C10 N2 C11 C12 30.2(3) . . . . ?
C8 N2 C11 C12 -148.7(3) . . . . ?
C15 C11 C12 C13 0.7(4) . . . . ?
N2 C11 C12 C13 179.7(3) . . . . ?
C11 C12 C13 C14 -2.2(5) . . . . ?
C12 C13 C14 C16 1.1(5) . . . . ?
C12 C11 C15 C16 1.8(4) . . . . ?
N2 C11 C15 C16 -177.2(2) . . . . ?
C13 C14 C16 C15 1.5(5) . . . . ?
C13 C14 C16 C17 -175.8(3) . . . . ?
C11 C15 C16 C14 -3.0(4) . . . . ?
C11 C15 C16 C17 174.4(3) . . . . ?
C14 C16 C17 N3 78(7) . . . . ?
C15 C16 C17 N3 -100(7) . . . . ?
Zn1 O1 C18 O2 11.5(3) . . . . ?
Zn1 O1 C18 C22 -167.06(17) . . . . ?
O3 Zn1 C18 O2 -164.00(14) . . . . ?
O1 Zn1 C18 O2 -169.9(3) . . . . ?
N1 Zn1 C18 O2 -31.00(17) . . . . ?
Cl1 Zn1 C18 O2 78.07(15) . . . . ?
O3 Zn1 C18 O1 5.9(2) . . . . ?
N1 Zn1 C18 O1 138.92(17) . . . . ?
Cl1 Zn1 C18 O1 -112.01(17) . . . . ?
O3 Zn1 C18 C22 46.9(6) . . . . ?
O1 Zn1 C18 C22 41.0(5) . . . . ?
N1 Zn1 C18 C22 179.9(5) . . . . ?
Cl1 Zn1 C18 C22 -71.0(5) . . . . ?
Zn1 O3 C19 O4 14.7(3) . . . . ?
Zn1 O3 C19 C20 -172.05(13) . . . . ?
O4 C19 C20 C21 91.1(3) . . . . ?
O3 C19 C20 C21 -82.5(3) . . . . ?
O4 C19 C20 C22 -90.2(3) . . . 3_544 ?
O3 C19 C20 C22 96.2(3) . . . 3_544 ?
C22 C20 C21 C22 0.1(4) 3_544 . . 1_455 ?
C19 C20 C21 C22 178.9(2) . . . 1_455 ?
O2 C18 C22 C21 5.5(3) . . . 1_655 ?
O1 C18 C22 C21 -175.9(2) . . . 1_655 ?
Zn1 C18 C22 C21 150.6(4) . . . 1_655 ?
O2 C18 C22 C20 -170.8(2) . . . 3_544 ?
O1 C18 C22 C20 7.8(3) . . . 3_544 ?
Zn1 C18 C22 C20 -25.7(7) . . . 3_544 ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.03
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.170
_refine_diff_density_min         -0.527
_refine_diff_density_rms         0.062
_database_code_depnum_ccdc_archive 'CCDC 949675'