# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1973869'
loop_
_audit_author_name
_audit_author_address
'Guoping YONG'
;University of Science and Technology of China
China
;
_audit_update_record             
;
2019-12-24 deposited with the CCDC.	2020-07-15 downloaded from the CCDC.
;


_audit_creation_date             2019-03-10
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C48 H28 Cl2 N8 O4 Zn'
_chemical_formula_sum            'C48 H28 Cl2 N8 O4 Zn'
_chemical_formula_weight         917.07
_chemical_melting_point          ?
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'
O O 0.0492 0.0322 '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                   20.5108(4)
_cell_length_b                   8.95151(16)
_cell_length_c                   28.8448(5)
_cell_angle_alpha                90
_cell_angle_beta                 90.8122(17)
_cell_angle_gamma                90
_cell_volume                     5295.45(17)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    10391
_cell_measurement_temperature    291(2)
_cell_measurement_theta_min      5.1550
_cell_measurement_theta_max      73.8990
_shelx_estimated_absorpt_T_max   0.734
_shelx_estimated_absorpt_T_min   0.697
_exptl_absorpt_coefficient_mu    1.942
_exptl_absorpt_correction_T_min  0.712
_exptl_absorpt_correction_T_max  0.719
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.150
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1872
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0305
_diffrn_reflns_av_unetI/netI     0.0372
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.967
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            20162
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.967
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.964
_diffrn_reflns_theta_min         3.722
_diffrn_ambient_temperature      291(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8848
_reflns_number_total             10375
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.348
_refine_diff_density_min         -0.478
_refine_diff_density_rms         0.046
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     568
_refine_ls_number_reflns         10375
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0508
_refine_ls_R_factor_gt           0.0443
_refine_ls_restrained_S_all      1.023
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0604P)²+1.6668P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1200
_refine_ls_wR_factor_ref         0.1257
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Rigid bond restraints
 O1, C24
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
3.a Aromatic/amide H refined with riding coordinates:
 C30(H30), C32(H32), C12(H12), C5(H5), C9(H9), C26(H26), C41(H41), C13(H13),
 C37(H37), C16(H16), C15(H15), C34(H34), C7(H7), C40(H40), C28(H28), C46(H46),
 C38(H38), C1(H1), C23(H23), C44(H44), C45(H45), C3(H3), C47(H47), C27(H27),
 C20(H20), C2(H2), C21(H21), C22(H22)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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 0.27507(2) 0.85604(3) 0.03935(2) 0.03763(9) Uani 1 1 d . . . . .
Cl1 Cl 0.61380(4) 0.64467(14) 0.29331(3) 0.0970(3) Uani 1 1 d . . . . .
Cl2 Cl 0.28471(5) 1.50404(9) -0.18621(3) 0.0924(3) Uani 1 1 d . . . . .
N6 N 0.15242(8) 1.36008(18) -0.02787(6) 0.0396(4) Uani 1 1 d . . . . .
N1 N 0.29048(9) 0.8267(2) 0.10985(6) 0.0446(4) Uani 1 1 d . . . . .
C36 C 0.03940(10) 1.3898(2) -0.04942(7) 0.0424(4) Uani 1 1 d . . . . .
C10 C 0.49262(10) 0.4807(3) 0.16763(7) 0.0428(4) Uani 1 1 d . . . . .
N2 N 0.43920(9) 0.5579(2) 0.15569(6) 0.0450(4) Uani 1 1 d . . . . .
O4 O 0.17463(8) 0.8758(2) 0.03126(7) 0.0623(5) Uani 1 1 d . . . . .
C11 C 0.53032(10) 0.4136(3) 0.12930(7) 0.0419(4) Uani 1 1 d . . . . .
O2 O 0.36867(11) 0.7499(2) 0.02111(6) 0.0712(5) Uani 1 1 d . . . . .
O1 O 0.30131(9) 0.8301(3) -0.03136(7) 0.0729(5) Uani 1 1 d . U . . .
N5 N 0.29217(9) 1.0848(2) 0.03553(6) 0.0438(4) Uani 1 1 d . . . . .
O3 O 0.20579(8) 0.6473(2) 0.04484(8) 0.0682(5) Uani 1 1 d . . . . .
C30 C 0.25287(10) 1.1649(2) 0.00771(7) 0.0422(4) Uani 1 1 d . . . . .
H30 H 0.2178 1.1169 -0.0066 0.051 Uiso 1 1 calc R . . . .
C14 C 0.60295(10) 0.2898(2) 0.05739(7) 0.0428(4) Uani 1 1 d . . . . .
N7 N 0.20008(9) 1.8306(2) -0.12549(6) 0.0447(4) Uani 1 1 d . . . . .
C29 C 0.26176(10) 1.3149(2) -0.00080(7) 0.0408(4) Uani 1 1 d . . . . .
C32 C 0.23850(10) 1.4977(2) -0.06415(7) 0.0417(4) Uani 1 1 d . . . . .
H32 H 0.2829 1.5163 -0.0668 0.050 Uiso 1 1 calc R . . . .
N4 N 0.45933(10) 0.4393(3) 0.33257(6) 0.0547(5) Uani 1 1 d . . . . .
C12 C 0.51940(11) 0.4574(3) 0.08354(7) 0.0480(5) Uani 1 1 d . . . . .
H12 H 0.4877 0.5286 0.0767 0.058 Uiso 1 1 calc R . . . .
C4 C 0.34630(11) 0.7093(3) 0.17316(7) 0.0479(5) Uani 1 1 d . . . . .
C25 C 0.16182(11) 0.7403(3) 0.03869(8) 0.0531(6) Uani 1 1 d . . . . .
C33 C 0.19364(10) 1.5717(2) -0.09204(7) 0.0410(4) Uani 1 1 d . . . . .
C5 C 0.33830(10) 0.7414(2) 0.12657(7) 0.0401(4) Uani 1 1 d . . . . .
H5 H 0.3679 0.7012 0.1059 0.048 Uiso 1 1 calc R . . . .
C42 C 0.25280(14) 1.6678(3) -0.16537(9) 0.0564(6) Uani 1 1 d . . . . .
C6 C 0.40224(10) 0.6154(3) 0.18918(7) 0.0437(5) Uani 1 1 d . . . . .
N8 N 0.26191(13) 1.7975(3) -0.18829(7) 0.0655(6) Uani 1 1 d . . . . .
C31 C 0.21579(9) 1.3950(2) -0.03210(7) 0.0382(4) Uani 1 1 d . . . . .
C9 C 0.51214(11) 0.4639(3) 0.21386(7) 0.0499(5) Uani 1 1 d . . . . .
H9 H 0.5511 0.4159 0.2212 0.060 Uiso 1 1 calc R . . . .
C26 C 0.34209(12) 1.1536(3) 0.05659(9) 0.0562(6) Uani 1 1 d . . . . .
H26 H 0.3695 1.0988 0.0761 0.067 Uiso 1 1 calc R . . . .
C8 C 0.47299(11) 0.5194(3) 0.24880(7) 0.0489(5) Uani 1 1 d . . . . .
C35 C 0.10893(10) 1.4332(2) -0.05473(7) 0.0397(4) Uani 1 1 d . . . . .
C41 C 0.02263(11) 1.2551(3) -0.02918(9) 0.0539(6) Uani 1 1 d . . . . .
H41 H 0.0553 1.1920 -0.0180 0.065 Uiso 1 1 calc R . . . .
C13 C 0.55551(12) 0.3955(3) 0.04809(7) 0.0515(5) Uani 1 1 d . . . . .
H13 H 0.5477 0.4255 0.0177 0.062 Uiso 1 1 calc R . . . .
C37 C -0.01072(11) 1.4829(3) -0.06437(9) 0.0551(6) Uani 1 1 d . . . . .
H37 H -0.0007 1.5746 -0.0777 0.066 Uiso 1 1 calc R . . . .
C17 C 0.49487(11) 0.5050(3) 0.29738(7) 0.0533(6) Uani 1 1 d . . . . .
C39 C -0.09150(10) 1.3059(3) -0.04100(8) 0.0474(5) Uani 1 1 d . . . . .
C16 C 0.57731(12) 0.3049(3) 0.13779(8) 0.0534(6) Uani 1 1 d . . . . .
H16 H 0.5846 0.2722 0.1680 0.064 Uiso 1 1 calc R . . . .
C15 C 0.61336(12) 0.2442(3) 0.10250(8) 0.0527(5) Uani 1 1 d . . . . .
H15 H 0.6448 0.1722 0.1092 0.063 Uiso 1 1 calc R . . . .
C18 C 0.55123(13) 0.5502(4) 0.31912(9) 0.0643(7) Uani 1 1 d . . . . .
C34 C 0.12798(10) 1.5401(2) -0.08697(8) 0.0445(5) Uani 1 1 d . . . . .
H34 H 0.0969 1.5899 -0.1049 0.053 Uiso 1 1 calc R . . . .
C7 C 0.41632(11) 0.5946(3) 0.23620(7) 0.0484(5) Uani 1 1 d . . . . .
H7 H 0.3882 0.6304 0.2587 0.058 Uiso 1 1 calc R . . . .
C48 C 0.22925(13) 1.8973(3) -0.16376(8) 0.0554(6) Uani 1 1 d . . . . .
C40 C -0.04209(12) 1.2130(3) -0.02527(10) 0.0566(6) Uani 1 1 d . . . . .
H40 H -0.0524 1.1215 -0.0120 0.068 Uiso 1 1 calc R . . . .
C24 C 0.35337(13) 0.7695(3) -0.01987(9) 0.0527(5) Uani 1 1 d . U . . .
C28 C 0.31362(12) 1.3851(3) 0.02124(10) 0.0564(6) Uani 1 1 d . . . . .
H28 H 0.3212 1.4864 0.0166 0.068 Uiso 1 1 calc R . . . .
C46 C 0.18456(18) 2.1299(3) -0.13950(14) 0.0827(9) Uani 1 1 d . . . . .
H46 H 0.1775 2.2314 -0.1442 0.099 Uiso 1 1 calc R . . . .
C43 C 0.21560(11) 1.6811(2) -0.12678(7) 0.0446(5) Uani 1 1 d . . . . .
C38 C -0.07526(11) 1.4416(3) -0.05980(10) 0.0571(6) Uani 1 1 d . . . . .
H38 H -0.1081 1.5065 -0.0696 0.068 Uiso 1 1 calc R . . . .
C1 C 0.24837(15) 0.8867(4) 0.13923(9) 0.0758(9) Uani 1 1 d . . . . .
H1 H 0.2150 0.9472 0.1277 0.091 Uiso 1 1 calc R . . . .
C23 C 0.39959(15) 0.3715(4) 0.33253(10) 0.0700(7) Uani 1 1 d . . . . .
H23 H 0.3751 0.3637 0.3052 0.084 Uiso 1 1 calc R . . . .
C44 C 0.16625(13) 1.9110(3) -0.09367(9) 0.0588(6) Uani 1 1 d . . . . .
H44 H 0.1490 1.8645 -0.0678 0.071 Uiso 1 1 calc R . . . .
C19 C 0.49742(14) 0.4495(4) 0.37274(8) 0.0650(7) Uani 1 1 d . . . . .
N3 N 0.55353(12) 0.5182(3) 0.36466(7) 0.0732(7) Uani 1 1 d . . . . .
C45 C 0.15817(17) 2.0593(3) -0.10031(12) 0.0753(8) Uani 1 1 d . . . . .
H45 H 0.1350 2.1152 -0.0789 0.090 Uiso 1 1 calc R . . . .
C3 C 0.30161(16) 0.7706(5) 0.20327(9) 0.0907(12) Uani 1 1 d . . . . .
H3 H 0.3045 0.7505 0.2349 0.109 Uiso 1 1 calc R . . . .
C47 C 0.21998(16) 2.0517(3) -0.17041(11) 0.0734(8) Uani 1 1 d . . . . .
H47 H 0.2380 2.0995 -0.1958 0.088 Uiso 1 1 calc R . . . .
C27 C 0.35417(13) 1.3028(3) 0.05022(11) 0.0691(8) Uani 1 1 d . . . . .
H27 H 0.3893 1.3483 0.0653 0.083 Uiso 1 1 calc R . . . .
C20 C 0.4725(2) 0.3891(4) 0.41418(10) 0.0829(10) Uani 1 1 d . . . . .
H20 H 0.4971 0.3938 0.4415 0.099 Uiso 1 1 calc R . . . .
C2 C 0.25292(19) 0.8614(5) 0.18599(10) 0.1103(17) Uani 1 1 d . . . . .
H2 H 0.2233 0.9053 0.2059 0.132 Uiso 1 1 calc R . . . .
C21 C 0.4136(2) 0.3253(5) 0.41404(12) 0.0929(11) Uani 1 1 d . . . . .
H21 H 0.3969 0.2869 0.4414 0.111 Uiso 1 1 calc R . . . .
C22 C 0.3766(2) 0.3161(4) 0.37255(13) 0.0879(10) Uani 1 1 d . . . . .
H22 H 0.3357 0.2711 0.3728 0.106 Uiso 1 1 calc R . . . .


_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 N1 2.0702(17) . ?
Zn1 O4 2.0776(17) . ?
Zn1 O2 2.212(2) . ?
Zn1 O1 2.130(2) . ?
Zn1 N5 2.0806(18) . ?
Zn1 O3 2.354(2) . ?
Zn1 C25 2.543(2) . ?
Zn1 C24 2.485(2) . ?
Cl1 C18 1.715(3) . ?
Cl2 C42 1.717(3) . ?
N6 C31 1.344(3) . ?
N6 C35 1.343(3) . ?
N1 C5 1.328(3) . ?
N1 C1 1.332(3) . ?
C36 C35 1.488(3) . ?
C36 C41 1.385(3) . ?
C36 C37 1.387(3) . ?
C10 N2 1.336(3) . ?
C10 C11 1.485(3) . ?
C10 C9 1.395(3) . ?
N2 C6 1.339(3) . ?
O4 C25 1.260(3) . ?
C11 C12 1.392(3) . ?
C11 C16 1.389(3) . ?
O2 C24 1.232(3) . ?
O1 C24 1.239(3) . ?
N5 C30 1.338(3) . ?
N5 C26 1.334(3) . ?
O3 C25 1.238(3) . ?
C30 C29 1.378(3) . ?
C14 C13 1.380(3) . ?
C14 C15 1.377(3) . ?
C14 C24 1.511(3) 3_665 ?
N7 C48 1.397(3) . ?
N7 C43 1.376(3) . ?
N7 C44 1.364(3) . ?
C29 C31 1.481(3) . ?
C29 C28 1.382(3) . ?
C32 C33 1.383(3) . ?
C32 C31 1.389(3) . ?
N4 C17 1.389(3) . ?
N4 C23 1.368(4) . ?
N4 C19 1.391(3) . ?
C12 C13 1.387(3) . ?
C4 C5 1.382(3) . ?
C4 C6 1.491(3) . ?
C4 C3 1.385(3) . ?
C25 C39 1.503(3) 3_575 ?
C33 C34 1.386(3) . ?
C33 C43 1.476(3) . ?
C42 N8 1.350(3) . ?
C42 C43 1.364(3) . ?
C6 C7 1.395(3) . ?
N8 C48 1.327(4) . ?
C9 C8 1.389(3) . ?
C26 C27 1.371(4) . ?
C8 C17 1.471(3) . ?
C8 C7 1.387(3) . ?
C35 C34 1.394(3) . ?
C41 C40 1.386(3) . ?
C37 C38 1.383(3) . ?
C17 C18 1.369(3) . ?
C39 C25 1.503(3) 3_575 ?
C39 C40 1.383(3) . ?
C39 C38 1.373(4) . ?
C16 C15 1.378(3) . ?
C18 N3 1.344(3) . ?
C48 C47 1.408(4) . ?
C24 C14 1.511(3) 3_665 ?
C28 C27 1.383(4) . ?
C46 C45 1.410(5) . ?
C46 C47 1.353(5) . ?
C1 C2 1.369(4) . ?
C23 C22 1.348(5) . ?
C44 C45 1.351(4) . ?
C19 N3 1.329(4) . ?
C19 C20 1.414(4) . ?
C3 C2 1.376(4) . ?
C20 C21 1.337(6) . ?
C21 C22 1.410(5) . ?

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
N1 Zn1 O4 104.98(7) . . ?
N1 Zn1 O2 93.34(7) . . ?
N1 Zn1 O1 152.85(8) . . ?
N1 Zn1 N5 98.82(7) . . ?
N1 Zn1 O3 85.26(8) . . ?
N1 Zn1 C25 94.73(8) . . ?
N1 Zn1 C24 123.00(8) . . ?
O4 Zn1 O2 150.74(8) . . ?
O4 Zn1 O1 99.52(8) . . ?
O4 Zn1 N5 94.46(7) . . ?
O4 Zn1 O3 58.45(7) . . ?
O4 Zn1 C25 29.52(8) . . ?
O4 Zn1 C24 126.79(8) . . ?
O2 Zn1 O3 101.64(7) . . ?
O2 Zn1 C25 128.23(9) . . ?
O2 Zn1 C24 29.68(8) . . ?
O1 Zn1 O2 59.56(7) . . ?
O1 Zn1 O3 97.99(8) . . ?
O1 Zn1 C25 101.05(7) . . ?
O1 Zn1 C24 29.89(8) . . ?
N5 Zn1 O2 105.23(8) . . ?
N5 Zn1 O1 90.65(8) . . ?
N5 Zn1 O3 152.50(7) . . ?
N5 Zn1 C25 123.72(8) . . ?
N5 Zn1 C24 99.17(7) . . ?
O3 Zn1 C25 28.96(8) . . ?
O3 Zn1 C24 101.26(7) . . ?
C24 Zn1 C25 117.83(8) . . ?
C35 N6 C31 118.02(17) . . ?
C5 N1 Zn1 122.08(14) . . ?
C5 N1 C1 118.88(19) . . ?
C1 N1 Zn1 118.87(15) . . ?
C41 C36 C35 120.98(19) . . ?
C41 C36 C37 117.8(2) . . ?
C37 C36 C35 121.21(19) . . ?
N2 C10 C11 116.80(18) . . ?
N2 C10 C9 121.68(19) . . ?
C9 C10 C11 121.51(19) . . ?
C10 N2 C6 118.89(17) . . ?
C25 O4 Zn1 96.17(16) . . ?
C12 C11 C10 120.90(19) . . ?
C16 C11 C10 121.30(19) . . ?
C16 C11 C12 117.8(2) . . ?
C24 O2 Zn1 87.53(16) . . ?
C24 O1 Zn1 91.16(16) . . ?
C30 N5 Zn1 117.31(14) . . ?
C26 N5 Zn1 124.00(15) . . ?
C26 N5 C30 118.54(19) . . ?
C25 O3 Zn1 84.03(16) . . ?
N5 C30 C29 123.31(19) . . ?
C13 C14 C24 121.7(2) . 3_665 ?
C15 C14 C13 119.1(2) . . ?
C15 C14 C24 119.1(2) . 3_665 ?
C43 N7 C48 107.01(19) . . ?
C44 N7 C48 122.2(2) . . ?
C44 N7 C43 130.7(2) . . ?
C30 C29 C31 119.70(18) . . ?
C30 C29 C28 117.6(2) . . ?
C28 C29 C31 122.66(19) . . ?
C33 C32 C31 118.53(19) . . ?
C17 N4 C19 106.7(2) . . ?
C23 N4 C17 131.8(2) . . ?
C23 N4 C19 121.5(2) . . ?
C13 C12 C11 120.4(2) . . ?
C5 C4 C6 119.92(19) . . ?
C5 C4 C3 117.2(2) . . ?
C3 C4 C6 122.8(2) . . ?
O4 C25 Zn1 54.32(12) . . ?
O4 C25 C39 118.4(2) . 3_575 ?
O3 C25 Zn1 67.01(13) . . ?
O3 C25 O4 121.2(2) . . ?
O3 C25 C39 120.4(2) . 3_575 ?
C39 C25 Zn1 171.44(19) 3_575 . ?
C32 C33 C34 118.73(18) . . ?
C32 C33 C43 120.39(19) . . ?
C34 C33 C43 120.88(19) . . ?
N1 C5 C4 123.32(19) . . ?
N8 C42 Cl2 120.42(19) . . ?
N8 C42 C43 114.1(2) . . ?
C43 C42 Cl2 125.5(2) . . ?
N2 C6 C4 115.74(17) . . ?
N2 C6 C7 122.57(19) . . ?
C7 C6 C4 121.63(19) . . ?
C48 N8 C42 104.1(2) . . ?
N6 C31 C29 116.14(17) . . ?
N6 C31 C32 123.24(18) . . ?
C32 C31 C29 120.62(18) . . ?
C8 C9 C10 119.61(19) . . ?
N5 C26 C27 121.9(2) . . ?
C9 C8 C17 119.2(2) . . ?
C7 C8 C9 118.29(19) . . ?
C7 C8 C17 122.4(2) . . ?
N6 C35 C36 116.31(17) . . ?
N6 C35 C34 121.93(19) . . ?
C34 C35 C36 121.72(18) . . ?
C36 C41 C40 121.0(2) . . ?
C14 C13 C12 120.8(2) . . ?
C38 C37 C36 121.1(2) . . ?
N4 C17 C8 125.3(2) . . ?
C18 C17 N4 103.8(2) . . ?
C18 C17 C8 130.9(3) . . ?
C40 C39 C25 121.3(2) . 3_575 ?
C38 C39 C25 120.0(2) . 3_575 ?
C38 C39 C40 118.7(2) . . ?
C15 C16 C11 121.6(2) . . ?
C14 C15 C16 120.2(2) . . ?
C17 C18 Cl1 125.4(2) . . ?
N3 C18 Cl1 120.8(2) . . ?
N3 C18 C17 113.7(3) . . ?
C33 C34 C35 119.49(19) . . ?
C8 C7 C6 118.7(2) . . ?
N7 C48 C47 118.0(3) . . ?
N8 C48 N7 111.0(2) . . ?
N8 C48 C47 131.0(2) . . ?
C39 C40 C41 120.5(2) . . ?
O2 C24 Zn1 62.80(13) . . ?
O2 C24 O1 121.7(2) . . ?
O2 C24 C14 119.5(2) . 3_665 ?
O1 C24 Zn1 58.95(13) . . ?
O1 C24 C14 118.7(2) . 3_665 ?
C14 C24 Zn1 175.88(17) 3_665 . ?
C29 C28 C27 119.2(2) . . ?
C47 C46 C45 120.8(3) . . ?
N7 C43 C33 123.65(19) . . ?
C42 C43 N7 103.83(19) . . ?
C42 C43 C33 132.5(2) . . ?
C39 C38 C37 120.8(2) . . ?
N1 C1 C2 121.6(2) . . ?
C22 C23 N4 119.1(3) . . ?
C45 C44 N7 119.1(3) . . ?
N4 C19 C20 118.3(3) . . ?
N3 C19 N4 111.2(2) . . ?
N3 C19 C20 130.5(3) . . ?
C19 N3 C18 104.6(2) . . ?
C44 C45 C46 120.4(3) . . ?
C2 C3 C4 119.4(2) . . ?
C46 C47 C48 119.4(3) . . ?
C26 C27 C28 119.4(2) . . ?
C21 C20 C19 119.9(3) . . ?
C1 C2 C3 119.6(3) . . ?
C20 C21 C22 120.2(3) . . ?
C23 C22 C21 121.0(4) . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 -0.401 0.250 785.2 201.8 ?
2 0.000 -0.448 0.750 785.2 201.8 ?
3 0.481 0.125 0.021 7.1 0.0 ?
4 0.481 0.375 0.521 7.1 0.0 ?
5 0.519 0.625 0.479 7.1 0.0 ?
6 0.519 0.875 0.979 7.1 0.0 ?

_olex2_submission_special_instructions 'No special instructions were received'

#===END 
