# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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 2181503'
loop_
_audit_author_name
_audit_author_address
'hou leixin'
;Dalian University of Technology 
China
;
_audit_update_record             
;
2022-06-27 deposited with the CCDC.	2023-02-20 downloaded from the CCDC.
;
_audit_creation_date             2022-06-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C66 H50 F4 N4 O10 Zn2'
_chemical_formula_sum            'C66 H50 F4 N4 O10 Zn2'
_chemical_formula_weight         1265.84
_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 0.0033 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'
F F 0.0171 0.0103 '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'

_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                   21.6596(10)
_cell_length_b                   10.1234(5)
_cell_length_c                   15.4018(7)
_cell_angle_alpha                90
_cell_angle_beta                 98.6440(10)
_cell_angle_gamma                90
_cell_volume                     3338.8(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9910
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      25.02
_cell_measurement_theta_min      2.23
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.786
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6965
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2014/3 (Bruker,2014/3) was used for absorption correction.
wR2(int) was 0.0928 before and 0.0496 after correction.
The Ratio of minimum to maximum transmission is 0.9346.
The λ/2 correction factor is 0.00150.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1300
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0371
_diffrn_reflns_av_unetI/netI     0.0398
_diffrn_reflns_Laue_measured_fraction_full 0.834
_diffrn_reflns_Laue_measured_fraction_max 0.850
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            20576
_diffrn_reflns_point_group_measured_fraction_full 0.834
_diffrn_reflns_point_group_measured_fraction_max 0.850
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.062
_diffrn_reflns_theta_min         2.416
_diffrn_ambient_temperature      200.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.834
_diffrn_measured_fraction_theta_max 0.850
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3839
_reflns_number_total             5033
_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       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.807
_refine_diff_density_min         -0.295
_refine_diff_density_rms         0.054
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.781
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     391
_refine_ls_number_reflns         5033
_refine_ls_number_restraints     111
_refine_ls_R_factor_all          0.0577
_refine_ls_R_factor_gt           0.0407
_refine_ls_restrained_S_all      0.774
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.1000P)²]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0986
_refine_ls_wR_factor_ref         0.1105
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 F1, C7
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.02
 C2, C7
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.02
 Zn1, O2
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.02
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.01
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.01
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.01
3.a Aromatic/amide H refined with riding coordinates:
 C12(H12), C15(H15), C16(H16), C22(H22), C13(H13), C21(H21), C9(H9), C10(H10),
 C18(H18), C19(H19), C4(H4), C25(H25), C24(H24), C3(H3), C6(H6), C29(H29)
3.b Idealised Me refined as rotating group:
 C33(H33A,H33B,H33C), C32(H32A,H32B,H32C), C34(H34A,H34B,H34C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 -0.03875(2) 0.37413(3) 0.56044(2) 0.03030(13) Uani 1 1 d . U . . .
O3 O 0.03169(8) 0.59318(17) 0.56720(11) 0.0318(4) Uani 1 1 d . U . . .
O4 O 0.04750(9) 0.39465(19) 0.62390(13) 0.0410(5) Uani 1 1 d . U . . .
O5 O -0.05373(9) 0.18054(19) 0.54658(13) 0.0409(5) Uani 1 1 d . U . . .
N1 N 0.49638(9) 0.8252(2) 0.85606(14) 0.0300(5) Uani 1 1 d . U . . .
C14 C 0.49930(10) 0.9133(2) 0.92976(15) 0.0239(5) Uani 1 1 d . U . . .
O1 O 0.91492(11) 0.4141(3) 0.68575(19) 0.0669(7) Uani 1 1 d . U . . .
C12 C 0.54990(11) 0.7622(2) 0.73459(16) 0.0280(5) Uani 1 1 d . U . . .
H12 H 0.5118 0.7692 0.6953 0.034 Uiso 1 1 calc R . . . .
C8 C 0.66064(11) 0.7123(2) 0.75863(16) 0.0270(5) Uani 1 1 d . U . . .
O2 O 0.88380(11) 0.4881(2) 0.55515(16) 0.0610(6) Uani 1 1 d . U . . .
C15 C 0.53224(11) 1.0325(3) 0.93085(15) 0.0283(5) Uani 1 1 d . U . . .
H15 H 0.5540 1.0552 0.8838 0.034 Uiso 1 1 calc R . . . .
N2 N -0.06218(12) -0.0322(2) 0.57884(18) 0.0473(6) Uani 1 1 d . U . . .
C17 C 0.43740(11) 0.7756(2) 0.82014(15) 0.0259(5) Uani 1 1 d . U . . .
C11 C 0.55115(11) 0.7907(2) 0.82291(16) 0.0249(5) Uani 1 1 d . U . . .
C16 C 0.46757(11) 0.8830(2) 0.99804(16) 0.0298(5) Uani 1 1 d . U . . .
H16 H 0.4450 0.8024 0.9966 0.036 Uiso 1 1 calc R . . . .
C22 C 0.42814(12) 0.6423(2) 0.79633(17) 0.0308(5) Uani 1 1 d . U . . .
H22 H 0.4627 0.5835 0.8024 0.037 Uiso 1 1 calc R . . . .
C30 C 0.06594(11) 0.5092(2) 0.61098(16) 0.0277(5) Uani 1 1 d . U . . .
C13 C 0.60396(12) 0.7234(2) 0.70331(16) 0.0302(5) Uani 1 1 d . U . . .
H13 H 0.6022 0.7041 0.6426 0.036 Uiso 1 1 calc R . . . .
C26 C 0.13029(11) 0.5496(3) 0.65032(16) 0.0310(5) Uani 1 1 d . U . . .
C20 C 0.31670(11) 0.6792(2) 0.75425(17) 0.0301(5) Uani 1 1 d . U . . .
C5 C 0.71773(12) 0.6628(2) 0.72595(18) 0.0319(6) Uani 1 1 d . U . . .
C21 C 0.36911(12) 0.5962(3) 0.76408(18) 0.0346(6) Uani 1 1 d . U . . .
H21 H 0.3639 0.5058 0.7481 0.042 Uiso 1 1 calc R . . . .
C9 C 0.66166(12) 0.7455(3) 0.84628(17) 0.0340(6) Uani 1 1 d . U . . .
H9 H 0.7002 0.7419 0.8850 0.041 Uiso 1 1 calc R . . . .
C10 C 0.60892(13) 0.7832(3) 0.87863(17) 0.0348(6) Uani 1 1 d . U . . .
H10 H 0.6112 0.8044 0.9391 0.042 Uiso 1 1 calc R . . . .
C2 C 0.82386(12) 0.5516(3) 0.6648(2) 0.0402(6) Uani 1 1 d . U . . .
C23 C 0.25288(12) 0.6326(3) 0.71787(18) 0.0335(6) Uani 1 1 d . U . . .
C18 C 0.38533(13) 0.8576(3) 0.8104(2) 0.0398(7) Uani 1 1 d . U . . .
H18 H 0.3902 0.9480 0.8263 0.048 Uiso 1 1 calc R . . . .
C31 C -0.04356(13) 0.0891(3) 0.60221(19) 0.0382(6) Uani 1 1 d . U . . .
C19 C 0.32755(13) 0.8106(3) 0.7785(2) 0.0409(7) Uani 1 1 d . U . . .
H19 H 0.2932 0.8699 0.7725 0.049 Uiso 1 1 calc R . . . .
C4 C 0.76453(13) 0.5966(3) 0.78276(19) 0.0385(6) Uani 1 1 d . U . . .
H4 H 0.7606 0.5866 0.8430 0.046 Uiso 1 1 calc R . . . .
F2 F 0.15895(11) 0.3401(2) 0.7099(2) 0.1116(12) Uani 1 1 d . U . . .
F1 F 0.78314(14) 0.6415(3) 0.52685(17) 0.1054(10) Uani 1 1 d . U . . .
C28 C 0.17504(14) 0.4639(3) 0.6950(2) 0.0488(8) Uani 1 1 d . U . . .
C25 C 0.14964(13) 0.6798(3) 0.64328(18) 0.0380(6) Uani 1 1 d . U . . .
H25 H 0.1207 0.7428 0.6155 0.046 Uiso 1 1 calc R . . . .
C24 C 0.20907(14) 0.7198(3) 0.67516(19) 0.0406(7) Uani 1 1 d . U . . .
H24 H 0.2206 0.8092 0.6679 0.049 Uiso 1 1 calc R . . . .
C7 C 0.77870(15) 0.6214(3) 0.6102(2) 0.0494(8) Uani 1 1 d . U . . .
C3 C 0.81609(12) 0.5461(3) 0.75155(19) 0.0392(6) Uani 1 1 d . U . . .
H3 H 0.8478 0.5054 0.7921 0.047 Uiso 1 1 calc R . . . .
C1 C 0.87834(14) 0.4793(3) 0.6337(2) 0.0474(7) Uani 1 1 d . U . . .
C6 C 0.72631(14) 0.6755(3) 0.63994(19) 0.0444(7) Uani 1 1 d . U . . .
H6 H 0.6962 0.7217 0.6000 0.053 Uiso 1 1 calc R . . . .
C33 C -0.09413(18) -0.0592(3) 0.4911(3) 0.0640(9) Uani 1 1 d . U . . .
H33A H -0.1391 -0.0461 0.4894 0.096 Uiso 1 1 calc GR . . . .
H33B H -0.0861 -0.1507 0.4752 0.096 Uiso 1 1 calc GR . . . .
H33C H -0.0787 0.0009 0.4493 0.096 Uiso 1 1 calc GR . . . .
C29 C 0.23413(14) 0.5037(3) 0.7284(3) 0.0502(8) Uani 1 1 d . U . . .
H29 H 0.2626 0.4423 0.7592 0.060 Uiso 1 1 calc R . . . .
C32 C -0.01194(18) 0.1195(3) 0.6924(2) 0.0552(8) Uani 1 1 d . U . . .
H32A H 0.0257 0.1719 0.6890 0.083 Uiso 1 1 calc GR . . . .
H32B H -0.0002 0.0368 0.7237 0.083 Uiso 1 1 calc GR . . . .
H32C H -0.0404 0.1696 0.7238 0.083 Uiso 1 1 calc GR . . . .
C34 C -0.0532(2) -0.1473(3) 0.6373(3) 0.0808(13) Uani 1 1 d . U . . .
H34A H -0.0090 -0.1544 0.6626 0.121 Uiso 1 1 calc GR . . . .
H34B H -0.0661 -0.2275 0.6038 0.121 Uiso 1 1 calc GR . . . .
H34C H -0.0784 -0.1369 0.6846 0.121 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 O3 2.0218(17) 3_566 ?
Zn1 O4 1.9849(19) . ?
Zn1 O5 1.993(2) . ?
Zn1 O1 2.340(3) 1_455 ?
Zn1 O2 2.027(2) 1_455 ?
Zn1 C1 2.498(3) 1_455 ?
O3 Zn1 2.0219(17) 3_566 ?
O3 C30 1.256(3) . ?
O4 C30 1.252(3) . ?
O5 C31 1.258(3) . ?
N1 C14 1.438(3) . ?
N1 C17 1.406(3) . ?
N1 C11 1.404(3) . ?
C14 C15 1.401(3) . ?
C14 C16 1.375(4) . ?
O1 Zn1 2.340(3) 1_655 ?
O1 C1 1.231(4) . ?
C12 H12 0.9500 . ?
C12 C11 1.387(3) . ?
C12 C13 1.388(4) . ?
C8 C13 1.390(4) . ?
C8 C5 1.490(4) . ?
C8 C9 1.388(4) . ?
O2 Zn1 2.027(2) 1_655 ?
O2 C1 1.237(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.389(3) 3_677 ?
N2 C31 1.326(4) . ?
N2 C33 1.449(5) . ?
N2 C34 1.468(4) . ?
C17 C22 1.404(3) . ?
C17 C18 1.390(4) . ?
C11 C10 1.409(4) . ?
C16 C15 1.389(3) 3_677 ?
C16 H16 0.9500 . ?
C22 H22 0.9500 . ?
C22 C21 1.382(4) . ?
C30 C26 1.491(3) . ?
C13 H13 0.9500 . ?
C26 C28 1.402(4) . ?
C26 C25 1.392(4) . ?
C20 C21 1.402(4) . ?
C20 C23 1.488(4) . ?
C20 C19 1.392(4) . ?
C5 C4 1.406(4) . ?
C5 C6 1.371(4) . ?
C21 H21 0.9500 . ?
C9 H9 0.9500 . ?
C9 C10 1.368(4) . ?
C10 H10 0.9500 . ?
C2 C7 1.384(5) . ?
C2 C3 1.373(4) . ?
C2 C1 1.525(4) . ?
C23 C24 1.387(4) . ?
C23 C29 1.384(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.360(4) . ?
C31 C32 1.485(5) . ?
C19 H19 0.9500 . ?
C4 H4 0.9500 . ?
C4 C3 1.379(4) . ?
F2 C28 1.330(4) . ?
F1 C7 1.318(4) . ?
C28 C29 1.366(4) . ?
C25 H25 0.9500 . ?
C25 C24 1.368(4) . ?
C24 H24 0.9500 . ?
C7 C6 1.398(4) . ?
C3 H3 0.9500 . ?
C1 Zn1 2.498(3) 1_655 ?
C6 H6 0.9500 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C29 H29 0.9500 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 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
O3 Zn1 O1 151.40(8) 3_566 1_455 ?
O3 Zn1 O2 92.92(9) 3_566 1_455 ?
O3 Zn1 C1 122.29(10) 3_566 1_455 ?
O4 Zn1 O3 104.98(8) . 3_566 ?
O4 Zn1 O5 106.36(8) . . ?
O4 Zn1 O1 93.69(8) . 1_455 ?
O4 Zn1 O2 132.23(9) . 1_455 ?
O4 Zn1 C1 114.84(9) . 1_455 ?
O5 Zn1 O3 95.26(8) . 3_566 ?
O5 Zn1 O1 100.09(9) . 1_455 ?
O5 Zn1 O2 115.78(9) . 1_455 ?
O5 Zn1 C1 110.56(9) . 1_455 ?
O1 Zn1 C1 29.24(10) 1_455 1_455 ?
O2 Zn1 O1 58.67(10) 1_455 1_455 ?
O2 Zn1 C1 29.44(10) 1_455 1_455 ?
C30 O3 Zn1 120.52(15) . 3_566 ?
C30 O4 Zn1 108.53(16) . . ?
C31 O5 Zn1 129.92(19) . . ?
C17 N1 C14 117.52(18) . . ?
C11 N1 C14 120.12(19) . . ?
C11 N1 C17 122.36(19) . . ?
C15 C14 N1 120.4(2) . . ?
C16 C14 N1 119.8(2) . . ?
C16 C14 C15 119.7(2) . . ?
C1 O1 Zn1 82.5(2) . 1_655 ?
C11 C12 H12 119.8 . . ?
C11 C12 C13 120.4(2) . . ?
C13 C12 H12 119.8 . . ?
C13 C8 C5 121.4(2) . . ?
C9 C8 C13 117.4(2) . . ?
C9 C8 C5 121.1(2) . . ?
C1 O2 Zn1 96.9(2) . 1_655 ?
C14 C15 H15 120.6 . . ?
C16 C15 C14 118.8(2) 3_677 . ?
C16 C15 H15 120.6 3_677 . ?
C31 N2 C33 120.7(3) . . ?
C31 N2 C34 124.2(3) . . ?
C33 N2 C34 115.1(3) . . ?
C22 C17 N1 122.1(2) . . ?
C18 C17 N1 120.2(2) . . ?
C18 C17 C22 117.6(2) . . ?
N1 C11 C10 120.9(2) . . ?
C12 C11 N1 121.0(2) . . ?
C12 C11 C10 118.1(2) . . ?
C14 C16 C15 121.5(2) . 3_677 ?
C14 C16 H16 119.2 . . ?
C15 C16 H16 119.2 3_677 . ?
C17 C22 H22 119.8 . . ?
C21 C22 C17 120.5(2) . . ?
C21 C22 H22 119.8 . . ?
O3 C30 C26 118.2(2) . . ?
O4 C30 O3 122.4(2) . . ?
O4 C30 C26 119.4(2) . . ?
C12 C13 C8 121.6(2) . . ?
C12 C13 H13 119.2 . . ?
C8 C13 H13 119.2 . . ?
C28 C26 C30 124.4(2) . . ?
C25 C26 C30 120.2(2) . . ?
C25 C26 C28 115.5(2) . . ?
C21 C20 C23 122.8(2) . . ?
C19 C20 C21 116.3(2) . . ?
C19 C20 C23 120.9(2) . . ?
C4 C5 C8 120.5(2) . . ?
C6 C5 C8 122.3(2) . . ?
C6 C5 C4 117.1(2) . . ?
C22 C21 C20 121.8(2) . . ?
C22 C21 H21 119.1 . . ?
C20 C21 H21 119.1 . . ?
C8 C9 H9 119.0 . . ?
C10 C9 C8 122.0(2) . . ?
C10 C9 H9 119.0 . . ?
C11 C10 H10 119.8 . . ?
C9 C10 C11 120.5(2) . . ?
C9 C10 H10 119.8 . . ?
C7 C2 C1 124.3(3) . . ?
C3 C2 C7 115.7(2) . . ?
C3 C2 C1 119.9(3) . . ?
C24 C23 C20 120.5(2) . . ?
C29 C23 C20 121.8(2) . . ?
C29 C23 C24 117.6(3) . . ?
C17 C18 H18 119.4 . . ?
C19 C18 C17 121.2(2) . . ?
C19 C18 H18 119.4 . . ?
O5 C31 N2 118.8(3) . . ?
O5 C31 C32 119.6(3) . . ?
N2 C31 C32 121.6(3) . . ?
C20 C19 H19 118.7 . . ?
C18 C19 C20 122.7(2) . . ?
C18 C19 H19 118.7 . . ?
C5 C4 H4 119.8 . . ?
C3 C4 C5 120.4(3) . . ?
C3 C4 H4 119.8 . . ?
F2 C28 C26 119.2(3) . . ?
F2 C28 C29 117.9(3) . . ?
C29 C28 C26 122.8(3) . . ?
C26 C25 H25 119.0 . . ?
C24 C25 C26 122.0(2) . . ?
C24 C25 H25 119.0 . . ?
C23 C24 H24 119.3 . . ?
C25 C24 C23 121.4(3) . . ?
C25 C24 H24 119.3 . . ?
C2 C7 C6 122.4(3) . . ?
F1 C7 C2 121.5(3) . . ?
F1 C7 C6 116.1(3) . . ?
C2 C3 C4 123.2(3) . . ?
C2 C3 H3 118.4 . . ?
C4 C3 H3 118.4 . . ?
O1 C1 Zn1 68.24(18) . 1_655 ?
O1 C1 O2 121.9(3) . . ?
O1 C1 C2 120.4(3) . . ?
O2 C1 Zn1 53.67(15) . 1_655 ?
O2 C1 C2 117.7(3) . . ?
C2 C1 Zn1 171.3(2) . 1_655 ?
C5 C6 C7 121.0(3) . . ?
C5 C6 H6 119.5 . . ?
C7 C6 H6 119.5 . . ?
N2 C33 H33A 109.5 . . ?
N2 C33 H33B 109.5 . . ?
N2 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C23 C29 H29 119.7 . . ?
C28 C29 C23 120.6(3) . . ?
C28 C29 H29 119.7 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
N2 C34 H34A 109.5 . . ?
N2 C34 H34B 109.5 . . ?
N2 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?

_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 0.500 0.500 1.000 405.5 106.5 ?
2 0.500 1.000 0.500 405.5 106.5 ?

_olex2_submission_special_instructions 'No special instructions were received'
