# Electronic Supplementary Material (ESI) for Sustainable Energy & Fuels.
# 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. 
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data_no21
_database_code_depnum_ccdc_archive 'CCDC 2143453'
loop_
_audit_author_name
_audit_author_address
'Athanassios Coutsolelos'
;University of Crete
Greece
;
_audit_update_record             
;
2022-01-20 deposited with the CCDC.	2022-10-19 downloaded from the CCDC.
;
_audit_creation_date             2021-04-12
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H18 N2 O4 Pt0.5'
_chemical_formula_sum            'C26 H18 N2 O4 Pt0.50'
_chemical_formula_weight         519.97
_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'
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'
Pt Pt -1.7033 8.3905 '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           13
_space_group_name_H-M_alt        'P 1 2/c 1'
_space_group_name_Hall           '-P 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'

_cell_length_a                   15.432(3)
_cell_length_b                   7.2120(14)
_cell_length_c                   23.586(5)
_cell_angle_alpha                90.00(3)
_cell_angle_beta                 104.17(3)
_cell_angle_gamma                90.00(3)
_cell_volume                     2545.1(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    34692
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.6
_cell_measurement_theta_min      1.8
_shelx_estimated_absorpt_T_max   0.872
_shelx_estimated_absorpt_T_min   0.244
_exptl_absorpt_coefficient_mu    2.810
_exptl_absorpt_correction_T_max  0.5942
_exptl_absorpt_correction_T_min  0.2674
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.357
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plank
_exptl_crystal_F_000             1036
_exptl_crystal_size_max          0.7
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.18
_diffrn_reflns_av_unetI/netI     0.0286
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            4778
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.600
_diffrn_reflns_theta_min         1.781
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3184
_reflns_number_total             4778
_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 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max         1.789
_refine_diff_density_min         -3.581
_refine_diff_density_rms         0.178
_refine_ls_extinction_coef       0.0083(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         4778
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0767
_refine_ls_R_factor_gt           0.0641
_refine_ls_restrained_S_all      1.056
_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)+(0.1440P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1906
_refine_ls_wR_factor_ref         0.1948
_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.a Aromatic/amide H refined with riding coordinates:
 C13(H13), C12(H12), C16(H16), C15(H15), C20(H20), C7(H7), C23(H23), C8(H8),
 C24(H24), C21(H21), C3(H3), C2(H2)
2.b Idealised Me refined as rotating group:
 C26(H26A,H26B,H26C), C18(H18A,H18B,H18C)
;
_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
Pt1 Pt 0.0000 0.0000 0.5000 0.0400(2) Uani 1 2 d S . P . .
O1 O 0.5909(8) -0.592(2) 0.6191(6) 0.135(5) Uani 1 1 d . . . . .
O3 O 0.1482(7) 0.8115(10) 0.8429(3) 0.081(3) Uani 1 1 d . . . . .
O4 O 0.1597(13) 1.0409(13) 0.7835(5) 0.123(6) Uani 1 1 d . . . . .
O2 O 0.6386(7) -0.369(2) 0.5723(7) 0.148(6) Uani 1 1 d . . . . .
N1 N 0.1143(6) 0.0764(12) 0.5563(4) 0.054(2) Uani 1 1 d . . . . .
N2 N -0.0658(4) 0.2151(11) 0.5263(3) 0.0443(17) Uani 1 1 d . . . . .
C26 C 0.1654(12) 0.938(2) 0.8926(6) 0.092(5) Uani 1 1 d . . . . .
H26A H 0.1441 1.0594 0.8797 0.138 Uiso 1 1 calc R U . . .
H26B H 0.2285 0.9429 0.9100 0.138 Uiso 1 1 calc R U . . .
H26C H 0.1350 0.8943 0.9210 0.138 Uiso 1 1 calc R U . . .
C18 C 0.6809(13) -0.672(4) 0.6360(11) 0.199(13) Uani 1 1 d . . . . .
H18A H 0.6985 -0.7114 0.6016 0.298 Uiso 1 1 calc R U . . .
H18B H 0.6810 -0.7765 0.6612 0.298 Uiso 1 1 calc R U . . .
H18C H 0.7221 -0.5802 0.6562 0.298 Uiso 1 1 calc R U . . .
C13 C 0.4177(11) -0.4711(19) 0.5905(9) 0.092(5) Uani 1 1 d . . . . .
H13 H 0.4302 -0.5842 0.6096 0.111 Uiso 1 1 calc R U . . .
C12 C 0.3307(8) -0.402(2) 0.5780(6) 0.080(4) Uani 1 1 d . . . . .
H12 H 0.2859 -0.4677 0.5892 0.096 Uiso 1 1 calc R U . . .
C16 C 0.3783(8) -0.138(2) 0.5336(6) 0.084(4) Uani 1 1 d . . . . .
H16 H 0.3660 -0.0246 0.5148 0.100 Uiso 1 1 calc R U . . .
C15 C 0.4646(8) -0.211(2) 0.5458(7) 0.100(5) Uani 1 1 d . . . . .
H15 H 0.5091 -0.1452 0.5340 0.120 Uiso 1 1 calc R U . . .
C17 C 0.5796(12) -0.440(3) 0.5882(8) 0.102(5) Uani 1 1 d . . . . .
C4 C 0.1525(6) -0.2589(14) 0.4935(4) 0.052(2) Uani 1 1 d . . . . .
C9 C 0.1253(6) 0.2192(12) 0.5969(4) 0.0447(19) Uani 1 1 d . . . . .
C10 C 0.0618(6) 0.3445(12) 0.6044(4) 0.045(2) Uani 1 1 d . . . . .
C5 C 0.2176(6) -0.1643(13) 0.5353(4) 0.050(2) Uani 1 1 d . . . . .
C20 C 0.0965(8) 0.4265(16) 0.7096(5) 0.059(3) Uani 1 1 d . . . . .
H20 H 0.0931 0.3011 0.7179 0.070 Uiso 1 1 calc R U . . .
C6 C 0.1947(7) -0.0101(13) 0.5627(5) 0.053(2) Uani 1 1 d . . . . .
C7 C 0.2606(7) 0.0836(16) 0.6103(5) 0.058(2) Uani 1 1 d . . . . .
H7 H 0.3207 0.0532 0.6237 0.069 Uiso 1 1 calc R U . . .
C19 C 0.0831(8) 0.4836(12) 0.6520(5) 0.053(2) Uani 1 1 d . . . . .
C23 C 0.1098(8) 0.7981(14) 0.6856(4) 0.064(3) Uani 1 1 d . . . . .
H23 H 0.1143 0.9233 0.6773 0.077 Uiso 1 1 calc R U . . .
C8 C 0.2175(6) 0.2211(15) 0.6308(4) 0.056(2) Uani 1 1 d . . . . .
H8 H 0.2423 0.3022 0.6611 0.067 Uiso 1 1 calc R U . . .
C1 C -0.0260(7) 0.3424(13) 0.5689(4) 0.049(2) Uani 1 1 d . . . . .
C24 C 0.0899(8) 0.6695(15) 0.6400(5) 0.065(3) Uani 1 1 d . . . . .
H24 H 0.0811 0.7092 0.6015 0.078 Uiso 1 1 calc R U . . .
C11 C 0.3115(7) -0.2359(14) 0.5494(4) 0.055(2) Uani 1 1 d . . . . .
C21 C 0.1147(9) 0.5540(15) 0.7546(5) 0.063(3) Uani 1 1 d . . . . .
H21 H 0.1215 0.5141 0.7929 0.076 Uiso 1 1 calc R U . . .
C3 C 0.1711(8) -0.4229(16) 0.4620(5) 0.064(3) Uani 1 1 d . . . . .
H3 H 0.2256 -0.4839 0.4678 0.077 Uiso 1 1 calc R U . . .
C25 C 0.1442(8) 0.8837(15) 0.7903(5) 0.063(3) Uani 1 1 d . . . . .
C14 C 0.4857(7) -0.374(2) 0.5748(6) 0.076(3) Uani 1 1 d . . . . .
C2 C -0.0945(9) 0.4695(13) 0.5770(5) 0.063(3) Uani 1 1 d . . . . .
H2 H -0.0871 0.5656 0.6040 0.076 Uiso 1 1 calc R U . . .
C22 C 0.1230(7) 0.7399(13) 0.7433(4) 0.055(2) Uani 1 1 d . . . . .


_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
Pt1 N1 2.007(10) 3_556 ?
Pt1 N1 2.007(10) . ?
Pt1 N2 2.033(7) . ?
Pt1 N2 2.033(7) 3_556 ?
O1 C18 1.466(17) . ?
O1 C17 1.30(3) . ?
O3 C26 1.457(13) . ?
O3 C25 1.334(13) . ?
O4 C25 1.177(15) . ?
O2 C17 1.18(2) . ?
N1 C9 1.389(12) . ?
N1 C6 1.364(14) . ?
N2 C4 1.342(10) 3_556 ?
N2 C1 1.388(11) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C13 H13 0.9300 . ?
C13 C12 1.395(18) . ?
C13 C14 1.38(2) . ?
C12 H12 0.9300 . ?
C12 C11 1.370(16) . ?
C16 H16 0.9300 . ?
C16 C15 1.393(16) . ?
C16 C11 1.372(15) . ?
C15 H15 0.9300 . ?
C15 C14 1.364(19) . ?
C17 C14 1.484(17) . ?
C4 N2 1.342(10) 3_556 ?
C4 C5 1.400(13) . ?
C4 C3 1.462(14) . ?
C9 C10 1.376(13) . ?
C9 C8 1.452(12) . ?
C10 C19 1.482(13) . ?
C10 C1 1.407(13) . ?
C5 C6 1.376(13) . ?
C5 C11 1.497(13) . ?
C20 H20 0.9300 . ?
C20 C19 1.386(15) . ?
C20 C21 1.382(16) . ?
C6 C7 1.481(14) . ?
C7 H7 0.9300 . ?
C7 C8 1.348(14) . ?
C19 C24 1.379(13) . ?
C23 H23 0.9300 . ?
C23 C24 1.396(14) . ?
C23 C22 1.391(13) . ?
C8 H8 0.9300 . ?
C1 C2 1.447(15) . ?
C24 H24 0.9300 . ?
C21 H21 0.9300 . ?
C21 C22 1.379(14) . ?
C3 H3 0.9300 . ?
C3 C2 1.351(17) 3_556 ?
C25 C22 1.494(14) . ?
C2 C3 1.351(17) 3_556 ?
C2 H2 0.9300 . ?

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 Pt1 N1 180.0 3_556 . ?
N1 Pt1 N2 90.7(3) . . ?
N1 Pt1 N2 89.3(3) . 3_556 ?
N1 Pt1 N2 89.3(3) 3_556 . ?
N1 Pt1 N2 90.7(3) 3_556 3_556 ?
N2 Pt1 N2 180.0 . 3_556 ?
C17 O1 C18 118.0(17) . . ?
C25 O3 C26 117.6(9) . . ?
C9 N1 Pt1 126.8(6) . . ?
C6 N1 Pt1 125.2(7) . . ?
C6 N1 C9 107.9(9) . . ?
C4 N2 Pt1 127.0(6) 3_556 . ?
C4 N2 C1 108.9(8) 3_556 . ?
C1 N2 Pt1 124.1(5) . . ?
O3 C26 H26A 109.5 . . ?
O3 C26 H26B 109.5 . . ?
O3 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O1 C18 H18A 109.5 . . ?
O1 C18 H18B 109.5 . . ?
O1 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C12 C13 H13 119.4 . . ?
C14 C13 H13 119.4 . . ?
C14 C13 C12 121.1(12) . . ?
C13 C12 H12 120.1 . . ?
C11 C12 C13 119.8(12) . . ?
C11 C12 H12 120.1 . . ?
C15 C16 H16 120.1 . . ?
C11 C16 H16 120.1 . . ?
C11 C16 C15 119.7(12) . . ?
C16 C15 H15 119.1 . . ?
C14 C15 C16 121.7(13) . . ?
C14 C15 H15 119.1 . . ?
O1 C17 C14 112.2(16) . . ?
O2 C17 O1 122.4(14) . . ?
O2 C17 C14 125.4(18) . . ?
N2 C4 C5 127.8(9) 3_556 . ?
N2 C4 C3 108.4(9) 3_556 . ?
C5 C4 C3 123.7(9) . . ?
N1 C9 C8 109.0(8) . . ?
C10 C9 N1 127.2(8) . . ?
C10 C9 C8 123.8(8) . . ?
C9 C10 C19 120.5(9) . . ?
C9 C10 C1 122.0(8) . . ?
C1 C10 C19 117.5(8) . . ?
C4 C5 C11 118.5(9) . . ?
C6 C5 C4 120.1(9) . . ?
C6 C5 C11 121.4(9) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C21 C20 C19 120.6(11) . . ?
N1 C6 C5 130.5(10) . . ?
N1 C6 C7 108.3(9) . . ?
C5 C6 C7 121.2(9) . . ?
C6 C7 H7 126.3 . . ?
C8 C7 C6 107.5(9) . . ?
C8 C7 H7 126.3 . . ?
C20 C19 C10 119.6(9) . . ?
C24 C19 C10 121.1(9) . . ?
C24 C19 C20 119.3(10) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C22 C23 C24 120.4(10) . . ?
C9 C8 H8 126.3 . . ?
C7 C8 C9 107.4(9) . . ?
C7 C8 H8 126.3 . . ?
N2 C1 C10 128.9(8) . . ?
N2 C1 C2 107.9(9) . . ?
C10 C1 C2 122.8(8) . . ?
C19 C24 C23 120.1(10) . . ?
C19 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C12 C11 C16 119.7(11) . . ?
C12 C11 C5 119.4(10) . . ?
C16 C11 C5 120.9(10) . . ?
C20 C21 H21 119.7 . . ?
C22 C21 C20 120.6(11) . . ?
C22 C21 H21 119.7 . . ?
C4 C3 H3 126.3 . . ?
C2 C3 C4 107.5(10) 3_556 . ?
C2 C3 H3 126.3 3_556 . ?
O3 C25 C22 111.8(9) . . ?
O4 C25 O3 122.5(10) . . ?
O4 C25 C22 125.6(11) . . ?
C13 C14 C17 123.2(14) . . ?
C15 C14 C13 117.9(11) . . ?
C15 C14 C17 119.0(14) . . ?
C1 C2 H2 126.3 . . ?
C3 C2 C1 107.3(9) 3_556 . ?
C3 C2 H2 126.3 3_556 . ?
C23 C22 C25 118.0(9) . . ?
C21 C22 C23 119.0(9) . . ?
C21 C22 C25 123.0(9) . . ?

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
Pt1 N1 C9 C10 -4.6(14) . . . . ?
Pt1 N1 C9 C8 177.0(6) . . . . ?
Pt1 N1 C6 C5 -1.3(16) . . . . ?
Pt1 N1 C6 C7 -177.5(7) . . . . ?
Pt1 N2 C1 C10 -4.7(14) . . . . ?
Pt1 N2 C1 C2 -177.9(7) . . . . ?
O1 C17 C14 C13 -4(3) . . . . ?
O1 C17 C14 C15 175.9(18) . . . . ?
O3 C25 C22 C23 175.0(11) . . . . ?
O3 C25 C22 C21 -4.0(17) . . . . ?
O4 C25 C22 C23 -8(2) . . . . ?
O4 C25 C22 C21 172.9(16) . . . . ?
O2 C17 C14 C13 175(2) . . . . ?
O2 C17 C14 C15 -6(3) . . . . ?
N1 C9 C10 C19 176.9(9) . . . . ?
N1 C9 C10 C1 -0.9(15) . . . . ?
N1 C9 C8 C7 0.7(12) . . . . ?
N1 C6 C7 C8 0.4(12) . . . . ?
N2 C4 C5 C6 2.4(16) 3_556 . . . ?
N2 C4 C5 C11 -178.1(9) 3_556 . . . ?
N2 C4 C3 C2 1.4(13) 3_556 . . 3_556 ?
N2 C1 C2 C3 -3.0(12) . . . 3_556 ?
C26 O3 C25 O4 5(2) . . . . ?
C26 O3 C25 C22 -178.0(12) . . . . ?
C18 O1 C17 O2 2(4) . . . . ?
C18 O1 C17 C14 -179.5(19) . . . . ?
C13 C12 C11 C16 -1(2) . . . . ?
C13 C12 C11 C5 178.9(14) . . . . ?
C12 C13 C14 C15 -1(3) . . . . ?
C12 C13 C14 C17 178.6(17) . . . . ?
C16 C15 C14 C13 2(2) . . . . ?
C16 C15 C14 C17 -177.9(16) . . . . ?
C15 C16 C11 C12 1(2) . . . . ?
C15 C16 C11 C5 -178.3(13) . . . . ?
C4 N2 C1 C10 175.3(9) 3_556 . . . ?
C4 N2 C1 C2 2.1(11) 3_556 . . . ?
C4 C5 C6 N1 -0.6(17) . . . . ?
C4 C5 C6 C7 175.1(10) . . . . ?
C4 C5 C11 C12 -68.5(14) . . . . ?
C4 C5 C11 C16 111.1(13) . . . . ?
C9 N1 C6 C5 176.1(11) . . . . ?
C9 N1 C6 C7 0.0(11) . . . . ?
C9 C10 C19 C20 -69.6(14) . . . . ?
C9 C10 C19 C24 110.5(12) . . . . ?
C9 C10 C1 N2 6.0(15) . . . . ?
C9 C10 C1 C2 178.2(10) . . . . ?
C10 C9 C8 C7 -177.8(10) . . . . ?
C10 C19 C24 C23 179.8(11) . . . . ?
C10 C1 C2 C3 -176.7(10) . . . 3_556 ?
C5 C4 C3 C2 -176.2(10) . . . 3_556 ?
C5 C6 C7 C8 -176.2(10) . . . . ?
C20 C19 C24 C23 -0.1(19) . . . . ?
C20 C21 C22 C23 2.1(19) . . . . ?
C20 C21 C22 C25 -178.9(12) . . . . ?
C6 N1 C9 C10 178.1(10) . . . . ?
C6 N1 C9 C8 -0.4(11) . . . . ?
C6 C5 C11 C12 111.0(13) . . . . ?
C6 C5 C11 C16 -69.4(15) . . . . ?
C6 C7 C8 C9 -0.6(12) . . . . ?
C19 C10 C1 N2 -171.9(9) . . . . ?
C19 C10 C1 C2 0.3(14) . . . . ?
C19 C20 C21 C22 -2.2(19) . . . . ?
C8 C9 C10 C19 -4.8(15) . . . . ?
C8 C9 C10 C1 177.3(9) . . . . ?
C1 C10 C19 C20 108.3(12) . . . . ?
C1 C10 C19 C24 -71.6(14) . . . . ?
C24 C23 C22 C21 -1.0(18) . . . . ?
C24 C23 C22 C25 180.0(11) . . . . ?
C11 C16 C15 C14 -2(2) . . . . ?
C11 C5 C6 N1 179.9(10) . . . . ?
C11 C5 C6 C7 -4.4(15) . . . . ?
C21 C20 C19 C10 -178.7(11) . . . . ?
C21 C20 C19 C24 1.2(18) . . . . ?
C3 C4 C5 C6 179.6(10) . . . . ?
C3 C4 C5 C11 -0.9(15) . . . . ?
C14 C13 C12 C11 1(3) . . . . ?
C22 C23 C24 C19 0.0(19) . . . . ?

_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 -0.072 0.250 258.4 59.3 ?
2 0.500 -0.101 0.750 258.4 59.3 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
