# 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. 
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data_29150003_0m
_database_code_depnum_ccdc_archive 'CCDC 2211902'
loop_
_audit_author_name
_audit_author_address
'F J'
;nanjing university
China
;
_audit_update_record             
;
2022-10-19 deposited with the CCDC.	2023-01-13 downloaded from the CCDC.
;
_audit_creation_date             2022-09-16
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'O20 Si10, C8 H15 N2, F'
_chemical_formula_sum            'C8 H15 F N2 O20 Si10'
_chemical_formula_weight         759.12
_chemical_absolute_configuration ad
_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 0.0137 0.0067 '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 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2153 0.2529 '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      hexagonal
_space_group_IT_number           178
_space_group_name_H-M_alt        'P 61 2 2'
_space_group_name_Hall           'P 61 2 (0 0 -1)'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x-y, x, z+1/6'
'-y, x-y, z+1/3'
'-x, -y, z+1/2'
'-x+y, -x, z+2/3'
'y, -x+y, z+5/6'
'-y, -x, -z+5/6'
'x-y, -y, -z'
'x, x-y, -z+1/6'
'y, x, -z+1/3'
'-x+y, y, -z+1/2'
'-x, -x+y, -z+2/3'

_cell_length_a                   11.8995(9)
_cell_length_b                   11.8995(9)
_cell_length_c                   29.636(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     3634.2(7)
_cell_formula_units_Z            6
_cell_measurement_reflns_used    9936
_cell_measurement_temperature    210
_cell_measurement_theta_max      56.82
_cell_measurement_theta_min      3.73
_shelx_estimated_absorpt_T_max   0.689
_shelx_estimated_absorpt_T_min   0.623
_exptl_absorpt_coefficient_mu    4.020
_exptl_absorpt_correction_T_max  0.7512
_exptl_absorpt_correction_T_min  0.5374
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1346 before and 0.0917 after correction.
The Ratio of minimum to maximum transmission is 0.7154.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    2.081
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2316
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0953
_diffrn_reflns_av_unetI/netI     0.0664
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            18960
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         56.992
_diffrn_reflns_theta_min         3.732
_diffrn_ambient_temperature      210
_diffrn_detector                 CPAD
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON II'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE Metaljet PHOTON II'
_diffrn_measurement_method       'ω and φ shutterless scans'
_diffrn_measurement_specimen_support 'nylon loop'
_diffrn_radiation_monochromator  'Helios Multi-layer Optic'
_diffrn_radiation_probe          X-ray
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   MetalJet
_diffrn_source_current           2.86
_diffrn_source_power             0.19931339999999997
_diffrn_source_type              'Liquid Metal source'
_diffrn_source_voltage           69.69
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.606
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                1822
_reflns_number_total             2484
_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       'SAINT V8.40B (Bruker, 2019)'
_computing_data_collection       'APEX4 V2022.1-1 (Bruker, 2022)'
_computing_data_reduction        'SAINT V8.40B (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.320
_refine_diff_density_min         -0.559
_refine_diff_density_rms         0.100
_refine_ls_abs_structure_details 
;
 Flack x determined using 575 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.02(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     234
_refine_ls_number_reflns         2484
_refine_ls_number_restraints     81
_refine_ls_R_factor_all          0.0758
_refine_ls_R_factor_gt           0.0516
_refine_ls_restrained_S_all      1.064
_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)+(0.0745P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1211
_refine_ls_wR_factor_ref         0.1305
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 N2-C8 = C8-C7 = C7-C6 = C6-C5 = N1-C1
 1.5 with sigma of 0.005
 C4-C3 = C3-C2
 1.5 with sigma of 0.005
 N2-C4 = N1-C2
 1.45 with sigma of 0.005
 N2-C7
 2.4 with sigma of 0.005
 C5-C8
 2.4 with sigma of 0.005
 C7-C5
 2.4 with sigma of 0.005
 C8-C6
 2.5 with sigma of 0.005
 N2-C6
 2.4 with sigma of 0.005
 C4-C2
 2.5 with sigma of 0.005
3. Uiso/Uaniso restraints and constraints
C4 \\sim N1 \\sim C1 \\sim C2 \\sim C5 \\sim C3 \\sim N2 \\sim C6 \\sim C8
\\sim C7: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 2A
4. Others
 Fixed Sof: N1(0.5) C5(0.5) N2(0.5) C4(0.5) H4A(0.5) H4B(0.5) C3(0.5) H3A(0.5)
 H3B(0.5) C2(0.5) H2A(0.5) H2B(0.5) C1(0.5) H1A(0.5) H1B(0.5) H1C(0.5) C6(0.5)
 H6A(0.5) H6B(0.5) C7(0.5) H7A(0.5) H7B(0.5) C8(0.5) H8A(0.5) H8B(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C3(H3A,H3B), C2(H2A,H2B), C6(H6A,H6B), C7(H7A,H7B), C8(H8A,H8B)
5.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C)
;
_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
Si1 Si -0.0872(2) 0.6625(2) 0.54846(7) 0.0248(5) Uani 1 1 d . . . . .
Si2 Si 0.1159(2) 0.5306(2) 0.63365(7) 0.0260(5) Uani 1 1 d . . . . .
Si3 Si -0.0955(2) 0.6032(2) 0.64816(7) 0.0257(5) Uani 1 1 d . . . . .
Si4 Si -0.2989(2) 0.3778(2) 0.53346(7) 0.0261(5) Uani 1 1 d . . . . .
Si5 Si -0.03011(19) 0.84784(19) 0.69966(6) 0.0207(5) Uani 1 1 d . . . . .
O1 O 0.0454(5) 0.6714(5) 0.53124(18) 0.0293(13) Uani 1 1 d . . . . .
O2 O -0.2139(5) 0.5337(5) 0.53001(18) 0.0329(13) Uani 1 1 d . . . . .
O3 O -0.0911(5) 0.6775(5) 0.60221(16) 0.0297(13) Uani 1 1 d . . . . .
O4 O 0.0291(5) 0.5871(5) 0.65442(17) 0.0328(13) Uani 1 1 d . . . . .
O5 O 0.1699(7) 0.5849(3) 0.583333 0.0304(18) Uani 1 2 d S T P . .
O6 O 0.2390(5) 0.5776(5) 0.66711(18) 0.0280(11) Uani 1 1 d . . . . .
O7 O -0.2288(5) 0.4671(5) 0.65397(17) 0.0301(13) Uani 1 1 d . . . . .
O8 O -0.0970(5) 0.6961(5) 0.68785(16) 0.0262(12) Uani 1 1 d . . . . .
O9 O 0.1249(5) 0.9137(5) 0.69421(16) 0.0253(12) Uani 1 1 d . . . . .
O10 O -0.0690(3) 0.8620(7) 0.750000 0.0252(16) Uani 1 2 d S T P . .
O11 O -0.0779(6) 0.9221(6) 0.666667 0.0257(16) Uani 1 2 d S T P . .
O16 O -0.3571(7) 0.3214(4) 0.583333 0.0317(18) Uani 1 2 d S T P . .
N1 N -0.557(2) 0.458(2) 0.6279(7) 0.086(5) Uani 0.5 1 d D U P A -1
C5 C -0.560(5) 0.447(5) 0.6677(11) 0.077(6) Uani 0.5 1 d D U P A -1
N2 N -0.6553(15) 0.3351(16) 0.6909(6) 0.080(4) Uani 0.5 1 d D U P A -1
C4 C -0.7758(16) 0.245(2) 0.6692(7) 0.085(7) Uani 0.5 1 d D U P A -1
H4A H -0.836439 0.279088 0.669088 0.101 Uiso 0.5 1 calc R U P A -1
H4B H -0.817542 0.160135 0.684960 0.101 Uiso 0.5 1 calc R U P A -1
C3 C -0.738(3) 0.2316(18) 0.6221(7) 0.097(6) Uani 0.5 1 d D U P A -1
H3A H -0.818269 0.179996 0.604128 0.117 Uiso 0.5 1 calc R U P A -1
H3B H -0.690713 0.183267 0.622967 0.117 Uiso 0.5 1 calc R U P A -1
C2 C -0.656(3) 0.359(2) 0.5992(7) 0.089(7) Uani 0.5 1 d D U P A -1
H2A H -0.612909 0.345661 0.572895 0.107 Uiso 0.5 1 calc R U P A -1
H2B H -0.712616 0.391713 0.587793 0.107 Uiso 0.5 1 calc R U P A -1
C1 C -0.452(3) 0.581(2) 0.6076(10) 0.099(8) Uani 0.5 1 d D U P A -1
H1A H -0.489851 0.625284 0.591425 0.149 Uiso 0.5 1 calc R U P A -1
H1B H -0.400798 0.560293 0.586593 0.149 Uiso 0.5 1 calc R U P A -1
H1C H -0.394712 0.637291 0.631645 0.149 Uiso 0.5 1 calc R U P A -1
C6 C -0.449(2) 0.530(2) 0.6989(8) 0.097(7) Uani 0.5 1 d D U P A -1
H6A H -0.444899 0.614241 0.704767 0.116 Uiso 0.5 1 calc R U P A -1
H6B H -0.365020 0.547664 0.685921 0.116 Uiso 0.5 1 calc R U P A -1
C7 C -0.479(2) 0.451(3) 0.7420(7) 0.103(7) Uani 0.5 1 d D U P A -1
H7A H -0.416321 0.420203 0.745826 0.124 Uiso 0.5 1 calc R U P A -1
H7B H -0.471680 0.505429 0.768303 0.124 Uiso 0.5 1 calc R U P A -1
C8 C -0.616(2) 0.336(3) 0.7392(6) 0.088(7) Uani 0.5 1 d D U P A -1
H8A H -0.616923 0.254178 0.746696 0.105 Uiso 0.5 1 calc R U P A -1
H8B H -0.674623 0.346683 0.760073 0.105 Uiso 0.5 1 calc R U P A -1
F1 F -0.0953(8) 0.4524(4) 0.583333 0.055(2) Uani 1 2 d S T P . .


_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
Si1 O1 1.611(5) . ?
Si1 O2 1.615(6) . ?
Si1 O3 1.606(5) . ?
Si1 O9 1.620(5) 6_454 ?
Si2 O1 1.618(5) 9_566 ?
Si2 O4 1.610(6) . ?
Si2 O5 1.625(3) . ?
Si2 O6 1.620(5) . ?
Si3 O3 1.610(5) . ?
Si3 O4 1.597(6) . ?
Si3 O7 1.613(5) . ?
Si3 O8 1.621(5) . ?
Si4 O2 1.612(5) . ?
Si4 O6 1.628(5) 6_454 ?
Si4 O7 1.604(5) 9_566 ?
Si4 O16 1.628(3) . ?
Si5 O8 1.606(5) . ?
Si5 O9 1.612(5) . ?
Si5 O10 1.596(2) . ?
Si5 O11 1.601(2) . ?
N1 C5 1.19(3) . ?
N1 C2 1.448(7) . ?
N1 C1 1.496(7) . ?
C5 N2 1.421(11) . ?
C5 C6 1.507(6) . ?
N2 C4 1.442(7) . ?
N2 C8 1.506(6) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C3 1.498(7) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C2 1.499(7) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C7 1.520(6) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.517(6) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?

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
O1 Si1 O2 111.9(3) . . ?
O1 Si1 O9 105.4(3) . 6_454 ?
O2 Si1 O9 108.8(3) . 6_454 ?
O3 Si1 O1 112.8(3) . . ?
O3 Si1 O2 112.1(3) . . ?
O3 Si1 O9 105.3(3) . 6_454 ?
O1 Si2 O5 111.3(2) 9_566 . ?
O1 Si2 O6 103.7(3) 9_566 . ?
O4 Si2 O1 113.4(3) . 9_566 ?
O4 Si2 O5 113.2(3) . . ?
O4 Si2 O6 106.3(3) . . ?
O6 Si2 O5 108.4(3) . . ?
O3 Si3 O7 112.8(3) . . ?
O3 Si3 O8 104.3(3) . . ?
O4 Si3 O3 112.8(3) . . ?
O4 Si3 O7 111.9(3) . . ?
O4 Si3 O8 109.0(3) . . ?
O7 Si3 O8 105.5(3) . . ?
O2 Si4 O6 104.4(3) . 6_454 ?
O2 Si4 O16 115.1(2) . . ?
O6 Si4 O16 106.9(3) 6_454 . ?
O7 Si4 O2 114.0(3) 9_566 . ?
O7 Si4 O6 104.7(3) 9_566 6_454 ?
O7 Si4 O16 110.7(2) 9_566 . ?
O8 Si5 O9 109.2(3) . . ?
O10 Si5 O8 108.4(3) . . ?
O10 Si5 O9 111.4(2) . . ?
O10 Si5 O11 108.12(17) . . ?
O11 Si5 O8 112.0(3) . . ?
O11 Si5 O9 107.9(3) . . ?
Si1 O1 Si2 138.5(3) . 9_566 ?
Si4 O2 Si1 145.2(4) . . ?
Si1 O3 Si3 140.6(3) . . ?
Si3 O4 Si2 146.4(4) . . ?
Si2 O5 Si2 140.0(5) 9_566 . ?
Si2 O6 Si4 136.3(3) . 2_665 ?
Si4 O7 Si3 139.1(4) 9_566 . ?
Si5 O8 Si3 139.2(3) . . ?
Si5 O9 Si1 142.4(3) . 2_665 ?
Si5 O10 Si5 169.5(5) 11_456 . ?
Si5 O11 Si5 168.7(5) . 10_466 ?
Si4 O16 Si4 136.7(5) . 9_566 ?
C5 N1 C2 122(2) . . ?
C5 N1 C1 118(2) . . ?
C2 N1 C1 120(2) . . ?
N1 C5 N2 123(2) . . ?
N1 C5 C6 125(2) . . ?
N2 C5 C6 110.4(4) . . ?
C5 N2 C4 121.0(16) . . ?
C5 N2 C8 110.6(4) . . ?
C4 N2 C8 128.2(16) . . ?
N2 C4 H4A 110.8 . . ?
N2 C4 H4B 110.8 . . ?
N2 C4 C3 104.8(17) . . ?
H4A C4 H4B 108.9 . . ?
C3 C4 H4A 110.8 . . ?
C3 C4 H4B 110.8 . . ?
C4 C3 H3A 108.9 . . ?
C4 C3 H3B 108.9 . . ?
C4 C3 C2 113.2(7) . . ?
H3A C3 H3B 107.8 . . ?
C2 C3 H3A 108.9 . . ?
C2 C3 H3B 108.9 . . ?
N1 C2 C3 114.3(18) . . ?
N1 C2 H2A 108.7 . . ?
N1 C2 H2B 108.7 . . ?
C3 C2 H2A 108.7 . . ?
C3 C2 H2B 108.7 . . ?
H2A C2 H2B 107.6 . . ?
N1 C1 H1A 109.5 . . ?
N1 C1 H1B 109.5 . . ?
N1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C5 C6 H6A 110.9 . . ?
C5 C6 H6B 110.9 . . ?
C5 C6 C7 104.3(5) . . ?
H6A C6 H6B 108.9 . . ?
C7 C6 H6A 110.9 . . ?
C7 C6 H6B 110.9 . . ?
C6 C7 H7A 109.8 . . ?
C6 C7 H7B 109.8 . . ?
H7A C7 H7B 108.3 . . ?
C8 C7 C6 109.3(5) . . ?
C8 C7 H7A 109.8 . . ?
C8 C7 H7B 109.8 . . ?
N2 C8 C7 104.3(4) . . ?
N2 C8 H8A 110.9 . . ?
N2 C8 H8B 110.9 . . ?
C7 C8 H8A 110.9 . . ?
C7 C8 H8B 110.9 . . ?
H8A C8 H8B 108.9 . . ?

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
O1 Si1 O2 Si4 70.0(7) . . . . ?
O1 Si1 O3 Si3 -66.4(6) . . . . ?
O1 Si2 O4 Si3 -70.8(7) 9_566 . . . ?
O1 Si2 O5 Si2 68.2(2) 9_566 . . 9_566 ?
O1 Si2 O6 Si4 -149.8(5) 9_566 . . 2_665 ?
O2 Si1 O1 Si2 -56.7(6) . . . 9_566 ?
O2 Si1 O3 Si3 61.1(7) . . . . ?
O2 Si4 O16 Si4 -62.6(3) . . . 9_566 ?
O3 Si1 O1 Si2 70.8(6) . . . 9_566 ?
O3 Si1 O2 Si4 -57.9(8) . . . . ?
O3 Si3 O4 Si2 -58.3(8) . . . . ?
O3 Si3 O7 Si4 73.2(6) . . . 9_566 ?
O3 Si3 O8 Si5 -40.4(6) . . . . ?
O4 Si2 O5 Si2 -60.8(2) . . . 9_566 ?
O4 Si2 O6 Si4 -30.0(6) . . . 2_665 ?
O4 Si3 O3 Si1 61.8(7) . . . . ?
O4 Si3 O7 Si4 -55.2(6) . . . 9_566 ?
O4 Si3 O8 Si5 80.3(6) . . . . ?
O5 Si2 O4 Si3 57.1(8) . . . . ?
O5 Si2 O6 Si4 91.9(5) . . . 2_665 ?
O6 Si2 O4 Si3 175.9(6) . . . . ?
O6 Si2 O5 Si2 -178.4(2) . . . 9_566 ?
O6 Si4 O2 Si1 176.3(7) 6_454 . . . ?
O6 Si4 O16 Si4 -178.0(2) 6_454 . . 9_566 ?
O7 Si3 O3 Si1 -66.2(7) . . . . ?
O7 Si3 O4 Si2 70.1(7) . . . . ?
O7 Si3 O8 Si5 -159.4(5) . . . . ?
O7 Si4 O2 Si1 -70.0(8) 9_566 . . . ?
O7 Si4 O16 Si4 68.4(2) 9_566 . . 9_566 ?
O8 Si3 O3 Si1 179.9(5) . . . . ?
O8 Si3 O4 Si2 -173.6(6) . . . . ?
O8 Si3 O7 Si4 -173.5(5) . . . 9_566 ?
O8 Si5 O9 Si1 -65.0(6) . . . 2_665 ?
O8 Si5 O10 Si5 1(2) . . . 11_456 ?
O8 Si5 O11 Si5 33.1(18) . . . 10_466 ?
O9 Si1 O1 Si2 -174.8(5) 6_454 . . 9_566 ?
O9 Si1 O2 Si4 -173.9(6) 6_454 . . . ?
O9 Si1 O3 Si3 179.1(5) 6_454 . . . ?
O9 Si5 O8 Si3 -50.8(6) . . . . ?
O9 Si5 O10 Si5 -119(2) . . . 11_456 ?
O9 Si5 O11 Si5 153.2(17) . . . 10_466 ?
O10 Si5 O8 Si3 -172.3(4) . . . . ?
O10 Si5 O9 Si1 54.7(7) . . . 2_665 ?
O10 Si5 O11 Si5 -86.2(3) . . . 10_466 ?
O11 Si5 O8 Si3 68.5(6) . . . . ?
O11 Si5 O9 Si1 173.2(5) . . . 2_665 ?
O11 Si5 O10 Si5 122(2) . . . 11_456 ?
O16 Si4 O2 Si1 59.5(8) . . . . ?
N1 C5 N2 C4 -18(10) . . . . ?
N1 C5 N2 C8 167(7) . . . . ?
N1 C5 C6 C7 -160(7) . . . . ?
C5 N1 C2 C3 -15(7) . . . . ?
C5 N2 C4 C3 41(5) . . . . ?
C5 N2 C8 C7 -7(5) . . . . ?
C5 C6 C7 C8 -10(5) . . . . ?
N2 C5 C6 C7 6(7) . . . . ?
N2 C4 C3 C2 -51(3) . . . . ?
C4 N2 C8 C7 179(2) . . . . ?
C4 C3 C2 N1 41(4) . . . . ?
C2 N1 C5 N2 3(11) . . . . ?
C2 N1 C5 C6 167(5) . . . . ?
C1 N1 C5 N2 180(5) . . . . ?
C1 N1 C5 C6 -16(10) . . . . ?
C1 N1 C2 C3 168(2) . . . . ?
C6 C5 N2 C4 175(4) . . . . ?
C6 C5 N2 C8 0(7) . . . . ?
C6 C7 C8 N2 10(3) . . . . ?
C8 N2 C4 C3 -145(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_site                            XU
# start Validation Reply Form
_vrf_PLAT431_29150003_0m         
;
PROBLEM: Short Inter HL..A Contact  F1       ..O2       .       2.61 Ang.  
RESPONSE: There is no typical short intermolecular Donor/Acceptor interactions
between these atoms.
;
# end Validation Reply Form
