# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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_tys-340-1
_database_code_depnum_ccdc_archive 'CCDC 1953581'
loop_
_audit_author_name
_audit_author_address
'Naoki Toyoshima'
;Hokkaido University
Japan
;
_audit_update_record             
;
2019-09-14 deposited with the CCDC.	2020-01-24 downloaded from the CCDC.
;
_audit_creation_date             2019-08-31
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C21 H23 Au F5 N Si'
_chemical_formula_sum            'C21 H23 Au F5 N Si'
_chemical_formula_weight         609.46
_chemical_absolute_configuration ad
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Au N H F Si N'
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'
Au Au -2.0133 8.8022 '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'
Si Si 0.0817 0.0704 '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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   7.1309(4)
_cell_length_b                   13.7333(8)
_cell_length_c                   21.9704(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2151.6(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6819
_cell_measurement_temperature    123
_cell_measurement_theta_max      29.5450
_cell_measurement_theta_min      3.3060
_shelx_estimated_absorpt_T_max   0.846
_shelx_estimated_absorpt_T_min   0.368
_exptl_absorpt_coefficient_mu    6.942
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.76763
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.43a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.881
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.025
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0360
_diffrn_reflns_av_unetI/netI     0.0469
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.888
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            13057
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.864
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.344
_diffrn_reflns_theta_min         3.003
_diffrn_ambient_temperature      123
_diffrn_detector                 'PLATUS 200K area detector'
_diffrn_detector_area_resol_mean 5.811
_diffrn_detector_type            'HPC area detector'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.888
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -76.00 -49.00   0.50    6.51    --    0.00  33.00  52.00   54
  2  ω    -27.00  -1.00   0.50    6.51    --    0.00  58.00-115.00   52
  3  ω    -67.00  34.00   0.50    6.51    --    0.00  14.00-150.00  202
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0476103000
_diffrn_orient_matrix_UB_12      0.0221463000
_diffrn_orient_matrix_UB_13      -0.0247354000
_diffrn_orient_matrix_UB_21      0.0868059000
_diffrn_orient_matrix_UB_22      -0.0170718000
_diffrn_orient_matrix_UB_23      0.0116679000
_diffrn_orient_matrix_UB_31      -0.0096113000
_diffrn_orient_matrix_UB_32      -0.0434179000
_diffrn_orient_matrix_UB_33      -0.0171615000
_diffrn_radiation_monochromator  'multi-layer mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'rotating anode X-ray generator'
_diffrn_source_type              micromax007
_reflns_Friedel_coverage         0.712
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.831
_reflns_number_gt                4807
_reflns_number_total             5096
_reflns_odcompleteness_completeness 99.14
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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       'CrysAlisPro 1.171.39.43a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.43a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.43a (Rigaku OD, 2018)'
_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         1.107
_refine_diff_density_min         -1.299
_refine_diff_density_rms         0.128
_refine_ls_abs_structure_details 
;
 Flack x determined using 1906 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.061(6)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     245
_refine_ls_number_reflns         5096
_refine_ls_number_restraints     72
_refine_ls_R_factor_all          0.0297
_refine_ls_R_factor_gt           0.0268
_refine_ls_restrained_S_all      1.001
_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)+(0.0280P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0575
_refine_ls_wR_factor_ref         0.0581
_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. Uiso/Uaniso restraints and constraints
C19 \\sim C24 \\sim C23 \\sim C22 \\sim C21 \\sim C20: within 1.7A with sigma
of 0.04 and sigma for terminal atoms of 0.08
C7 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6: within 1.7A with sigma of 0.04
and sigma for terminal atoms of 0.08
3.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5)
3.b Fitted hexagon refined as free rotating group:
 C22(C21,C20,C19,C24,C23), C2(C3,C4,C5,C6,C7)
3.c Idealised Me refined as rotating group:
 C18(H18A,H18B,H18C), C12(H12A,H12B,H12C), C14(H14A,H14B,H14C), C10(H10A,H10B,
 H10C), C17(H17A,H17B,H17C), C13(H13A,H13B,H13C), C11(H11A,H11B,H11C)
;
_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
Au1 Au 0.34558(3) 0.32774(2) 0.55985(2) 0.01581(7) Uani 1 1 d . . . . .
Si8 Si 0.4143(2) -0.04306(13) 0.54281(7) 0.0146(3) Uani 1 1 d . . . . .
N15 N 0.3549(8) 0.1557(3) 0.4679(2) 0.0148(9) Uani 1 1 d . . . . .
F29 F 0.3279(6) 0.5633(3) 0.56441(16) 0.0287(8) Uani 1 1 d . . . . .
F27 F 0.3174(7) 0.2972(3) 0.70097(17) 0.0321(10) Uani 1 1 d . . . . .
F26 F 0.2919(7) 0.6862(3) 0.65880(19) 0.0384(12) Uani 1 1 d . . . . .
F28 F 0.2778(7) 0.4208(3) 0.79468(17) 0.0355(11) Uani 1 1 d . . . . .
C22 C 0.3240(6) 0.4266(3) 0.62964(13) 0.0180(12) Uani 1 1 d . U . . .
C21 C 0.3173(6) 0.5264(3) 0.61937(13) 0.0211(13) Uani 1 1 d G U . . .
C20 C 0.2983(7) 0.5902(2) 0.66809(18) 0.0242(15) Uani 1 1 d G U . . .
C19 C 0.2858(7) 0.5542(3) 0.72708(14) 0.0255(15) Uani 1 1 d G U . . .
C24 C 0.2925(7) 0.4544(3) 0.73735(12) 0.0246(15) Uani 1 1 d G U . . .
C23 C 0.3115(7) 0.3906(2) 0.68863(16) 0.0203(14) Uani 1 1 d G U . . .
C2 C 0.3561(7) -0.0193(2) 0.45717(11) 0.0159(11) Uani 1 1 d . U . . .
C3 C 0.3414(7) -0.1002(2) 0.41944(15) 0.0200(12) Uani 1 1 d G U . . .
H3 H 0.348193 -0.163811 0.436234 0.024 Uiso 1 1 calc R . . . .
C4 C 0.3168(6) -0.0879(2) 0.35715(14) 0.0223(14) Uani 1 1 d G U . . .
C5 C 0.3069(6) 0.0052(3) 0.33258(11) 0.0194(13) Uani 1 1 d G U . . .
H5 H 0.290043 0.013566 0.290010 0.023 Uiso 1 1 calc R . . . .
C6 C 0.3215(6) 0.0861(2) 0.37031(15) 0.0179(12) Uani 1 1 d G U . . .
C7 C 0.3461(7) 0.0739(2) 0.43260(14) 0.0179(11) Uani 1 1 d G U . . .
C18 C 0.3105(10) 0.1883(5) 0.3429(3) 0.0262(16) Uani 1 1 d . . . . .
H18A H 0.301903 0.183456 0.298481 0.039 Uiso 1 1 calc GR . . . .
H18B H 0.423216 0.225076 0.353966 0.039 Uiso 1 1 calc GR . . . .
H18C H 0.199352 0.221805 0.358675 0.039 Uiso 1 1 calc GR . . . .
F25 F 0.2664(8) 0.6163(3) 0.77408(19) 0.0442(13) Uani 1 1 d . . . . .
C12 C 0.1034(9) 0.0630(5) 0.5874(3) 0.0244(15) Uani 1 1 d . . . . .
H12A H 0.193143 0.113227 0.600001 0.037 Uiso 1 1 calc GR . . . .
H12B H -0.006287 0.064905 0.614268 0.037 Uiso 1 1 calc GR . . . .
H12C H 0.063956 0.075201 0.545388 0.037 Uiso 1 1 calc GR . . . .
C14 C 0.5909(9) 0.0467(5) 0.5707(3) 0.0210(14) Uani 1 1 d . . . . .
H14A H 0.684578 0.058310 0.538898 0.032 Uiso 1 1 calc GR . . . .
H14B H 0.652825 0.020898 0.607108 0.032 Uiso 1 1 calc GR . . . .
H14C H 0.527927 0.108064 0.580771 0.032 Uiso 1 1 calc GR . . . .
C10 C 0.0567(10) -0.1160(5) 0.5720(3) 0.0252(15) Uani 1 1 d . . . . .
H10A H 0.021458 -0.105813 0.529361 0.038 Uiso 1 1 calc GR . . . .
H10B H -0.055538 -0.112412 0.597656 0.038 Uiso 1 1 calc GR . . . .
H10C H 0.115004 -0.180183 0.576508 0.038 Uiso 1 1 calc GR . . . .
C9 C 0.1961(8) -0.0370(5) 0.5915(3) 0.0169(13) Uani 1 1 d . . . . .
C17 C 0.3007(10) -0.1751(6) 0.3159(3) 0.0313(16) Uani 1 1 d . . . . .
H17A H 0.385871 -0.226397 0.329972 0.047 Uiso 1 1 calc GR . . . .
H17B H 0.334346 -0.156298 0.274240 0.047 Uiso 1 1 calc GR . . . .
H17C H 0.171523 -0.199427 0.316502 0.047 Uiso 1 1 calc GR . . . .
C13 C 0.5199(9) -0.1679(5) 0.5471(2) 0.0230(13) Uani 1 1 d . . . . .
H13A H 0.425759 -0.216412 0.535444 0.034 Uiso 1 1 calc GR . . . .
H13B H 0.562187 -0.180626 0.588779 0.034 Uiso 1 1 calc GR . . . .
H13C H 0.627092 -0.171910 0.519265 0.034 Uiso 1 1 calc GR . . . .
C11 C 0.2502(10) -0.0559(6) 0.6585(3) 0.0228(14) Uani 1 1 d . . . . .
H11A H 0.305830 -0.120934 0.662156 0.034 Uiso 1 1 calc GR . . . .
H11B H 0.137945 -0.052018 0.684083 0.034 Uiso 1 1 calc GR . . . .
H11C H 0.341346 -0.006902 0.671750 0.034 Uiso 1 1 calc GR . . . .
C16 C 0.3576(10) 0.2241(5) 0.4980(3) 0.0199(12) 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
Au1 C22 2.054(3) . ?
Au1 C16 1.970(6) . ?
Si8 C2 1.954(3) . ?
Si8 C14 1.865(7) . ?
Si8 C9 1.891(6) . ?
Si8 C13 1.875(7) . ?
N15 C7 1.366(5) . ?
N15 C16 1.149(8) . ?
F29 C21 1.311(4) . ?
F27 C23 1.311(5) . ?
F26 C20 1.335(5) . ?
F28 C24 1.345(5) . ?
C22 C21 1.3900 . ?
C22 C23 1.3900 . ?
C21 C20 1.3900 . ?
C20 C19 1.3900 . ?
C19 C24 1.3900 . ?
C19 F25 1.346(5) . ?
C24 C23 1.3900 . ?
C2 C3 1.3900 . ?
C2 C7 1.3900 . ?
C3 H3 0.9500 . ?
C3 C4 1.3900 . ?
C4 C5 1.3900 . ?
C4 C17 1.507(7) . ?
C5 H5 0.9500 . ?
C5 C6 1.3900 . ?
C6 C7 1.3900 . ?
C6 C18 1.529(7) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C12 C9 1.527(9) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C10 C9 1.533(9) . ?
C9 C11 1.543(8) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 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
C16 Au1 C22 174.9(2) . . ?
C14 Si8 C2 110.4(2) . . ?
C14 Si8 C9 109.9(3) . . ?
C14 Si8 C13 108.5(3) . . ?
C9 Si8 C2 111.3(2) . . ?
C13 Si8 C2 106.6(2) . . ?
C13 Si8 C9 110.0(3) . . ?
C16 N15 C7 178.2(7) . . ?
C21 C22 Au1 122.2(2) . . ?
C21 C22 C23 120.0 . . ?
C23 C22 Au1 117.7(2) . . ?
F29 C21 C22 121.9(3) . . ?
F29 C21 C20 118.1(3) . . ?
C20 C21 C22 120.0 . . ?
F26 C20 C21 120.5(3) . . ?
F26 C20 C19 119.5(3) . . ?
C21 C20 C19 120.0 . . ?
C20 C19 C24 120.0 . . ?
F25 C19 C20 119.8(3) . . ?
F25 C19 C24 120.2(3) . . ?
F28 C24 C19 119.2(3) . . ?
F28 C24 C23 120.8(3) . . ?
C23 C24 C19 120.0 . . ?
F27 C23 C22 122.6(3) . . ?
F27 C23 C24 117.4(3) . . ?
C24 C23 C22 120.0 . . ?
C3 C2 Si8 117.16(19) . . ?
C3 C2 C7 120.0 . . ?
C7 C2 Si8 122.58(19) . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 120.0 . . ?
C4 C3 H3 120.0 . . ?
C3 C4 C5 120.0 . . ?
C3 C4 C17 120.4(4) . . ?
C5 C4 C17 119.6(4) . . ?
C4 C5 H5 120.0 . . ?
C4 C5 C6 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 C18 119.7(3) . . ?
C7 C6 C5 120.0 . . ?
C7 C6 C18 120.3(3) . . ?
N15 C7 C2 122.3(3) . . ?
N15 C7 C6 117.7(3) . . ?
C6 C7 C2 120.0 . . ?
C6 C18 H18A 109.5 . . ?
C6 C18 H18B 109.5 . . ?
C6 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
Si8 C14 H14A 109.5 . . ?
Si8 C14 H14B 109.5 . . ?
Si8 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
C12 C9 Si8 111.2(4) . . ?
C12 C9 C10 109.8(5) . . ?
C12 C9 C11 108.5(5) . . ?
C10 C9 Si8 110.1(4) . . ?
C10 C9 C11 108.1(5) . . ?
C11 C9 Si8 109.1(4) . . ?
C4 C17 H17A 109.5 . . ?
C4 C17 H17B 109.5 . . ?
C4 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si8 C13 H13A 109.5 . . ?
Si8 C13 H13B 109.5 . . ?
Si8 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N15 C16 Au1 170.8(5) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.494
_oxdiff_exptl_absorpt_empirical_full_min 0.866
####################################################################### 
# 
# 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_tys-191
_database_code_depnum_ccdc_archive 'CCDC 1953583'
loop_
_audit_author_name
_audit_author_address
'Naoki Toyoshima'
;Hokkaido University
Japan
;
_audit_update_record             
;
2019-09-14 deposited with the CCDC.	2020-01-24 downloaded from the CCDC.
;
_audit_creation_date             2019-08-31
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C20.5 H23 Au F4.5 N1.5 Si)'
_chemical_formula_sum            'C41 H46 Au2 F9 N3 Si2'
_chemical_formula_weight         1201.92
_chemical_absolute_configuration ad
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Au F Si N H C'
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'
Au Au -2.0133 8.8022 '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'
Si Si 0.0817 0.0704 '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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   7.1510(3)
_cell_length_b                   13.6446(7)
_cell_length_c                   21.9432(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2141.05(17)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6410
_cell_measurement_temperature    123
_cell_measurement_theta_max      28.9650
_cell_measurement_theta_min      3.0010
_shelx_estimated_absorpt_T_max   0.722
_shelx_estimated_absorpt_T_min   0.128
_exptl_absorpt_coefficient_mu    6.973
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.61423
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.43a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.864
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1160
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0310
_diffrn_reflns_av_unetI/netI     0.0428
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.868
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            9765
_diffrn_reflns_point_group_measured_fraction_full 0.962
_diffrn_reflns_point_group_measured_fraction_max 0.801
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.962
_diffrn_reflns_theta_min         3.127
_diffrn_ambient_temperature      123
_diffrn_detector                 'PLATUS 200K area detector'
_diffrn_detector_area_resol_mean 5.811
_diffrn_detector_type            'HPC area detector'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.868
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -32.00  -7.00   0.50    1.32    --   -7.30  26.00-101.00   50
  2  ω    -25.00  72.00   0.50    1.32    --   -7.30  14.00 120.00  194
  3  ω    -97.00 -56.00   0.50    1.32    --   -7.30  14.00 120.00   82
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0426369000
_diffrn_orient_matrix_UB_12      0.0339080000
_diffrn_orient_matrix_UB_13      0.0202129000
_diffrn_orient_matrix_UB_21      -0.0086130000
_diffrn_orient_matrix_UB_22      -0.0342604000
_diffrn_orient_matrix_UB_23      0.0241736000
_diffrn_orient_matrix_UB_31      0.0890871000
_diffrn_orient_matrix_UB_32      -0.0194292000
_diffrn_orient_matrix_UB_33      -0.0073102000
_diffrn_radiation_monochromator  'multi-layer mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'rotating anode X-ray generator'
_diffrn_source_type              micromax007
_reflns_Friedel_coverage         0.624
_reflns_Friedel_fraction_full    0.920
_reflns_Friedel_fraction_max     0.712
_reflns_number_gt                4292
_reflns_number_total             4546
_reflns_odcompleteness_completeness 98.94
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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       'CrysAlisPro 1.171.39.43a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.43a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.43a (Rigaku OD, 2018)'
_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         0.791
_refine_diff_density_min         -0.931
_refine_diff_density_rms         0.115
_refine_ls_abs_structure_details 
;
 Flack x determined using 1608 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.011(6)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     248
_refine_ls_number_reflns         4546
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0274
_refine_ls_R_factor_gt           0.0247
_refine_ls_restrained_S_all      1.049
_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)+(0.0225P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0529
_refine_ls_wR_factor_ref         0.0535
_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. Uiso/Uaniso restraints and constraints
Uanis(C00N) = Uanis(N0AA)
3. Others
 Fixed Sof: C00N(0.5) F3(0.5) N0AA(0.5)
4.a Aromatic/amide H refined with riding coordinates:
 C00K(H00K), C00D(H00D)
4.b Fitted hexagon refined as free rotating group:
 C009(C00A,C00C,C00K,C00L,C00D), C00E(C00B,C00M,C00R,C00N,C00J)
4.c Idealised Me refined as rotating group:
 C00F(H00A,H00B,H00C), C00G(H00E,H00F,H00G), C00H(H00H,H00I,H00J), C00I(H00L,
 H00M,H00N), C00P(H00O,H00P,H00Q), C00Q(H00R,H00S,H00T), C00S(H00U,H00V,H00W)
;
_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
Au01 Au 0.65375(3) 0.66884(2) 0.56088(2) 0.01850(7) Uani 1 1 d . . . . .
Si02 Si 0.5838(2) 1.04163(11) 0.54258(7) 0.0168(3) Uani 1 1 d . . . . .
F003 F 0.6705(5) 0.4305(2) 0.56715(17) 0.0335(8) Uani 1 1 d . . . . .
N004 N 0.6426(7) 0.8410(3) 0.4685(2) 0.0188(9) Uani 1 1 d . . . . .
F005 F 0.7101(7) 0.3111(3) 0.6631(2) 0.0449(11) Uani 1 1 d . . . . .
F006 F 0.6861(6) 0.7001(3) 0.70238(17) 0.0368(10) Uani 1 1 d . . . . .
C007 C 0.6422(9) 0.7729(4) 0.4992(3) 0.0202(12) Uani 1 1 d . . . . .
F008 F 0.7294(6) 0.5746(3) 0.79525(18) 0.0449(11) Uani 1 1 d . . . . .
C009 C 0.6411(6) 1.0169(2) 0.45677(11) 0.0180(11) Uani 1 1 d . . . . .
C00A C 0.6528(6) 0.92326(19) 0.43219(14) 0.0188(11) Uani 1 1 d G . . . .
C00C C 0.6790(6) 0.91107(19) 0.36988(15) 0.0214(13) Uani 1 1 d G . . . .
C00K C 0.6936(5) 0.9926(3) 0.33217(11) 0.0220(13) Uani 1 1 d G . . . .
H00K H 0.711590 0.984219 0.289584 0.026 Uiso 1 1 calc R . . . .
C00L C 0.6820(6) 1.0862(2) 0.35675(14) 0.0222(13) Uani 1 1 d G . . . .
C00D C 0.6557(6) 1.09844(17) 0.41906(15) 0.0216(12) Uani 1 1 d G . . . .
H00D H 0.647696 1.162467 0.435861 0.026 Uiso 1 1 calc R . . . .
C00E C 0.6836(6) 0.4694(3) 0.62134(15) 0.0227(13) Uani 1 1 d . . . . .
C00B C 0.6781(6) 0.5699(2) 0.63136(14) 0.0188(12) Uani 1 1 d G . . . .
C00M C 0.6923(6) 0.6066(2) 0.69028(17) 0.0234(14) Uani 1 1 d G . . . .
C00R C 0.7119(7) 0.5427(3) 0.73920(14) 0.0284(15) Uani 1 1 d G . . . .
C00N C 0.7174(9) 0.4421(3) 0.72918(18) 0.0315(15) Uani 0.5 1 d G . P A 1
C00J C 0.7032(8) 0.4055(2) 0.6703(2) 0.0289(15) Uani 1 1 d G . . . .
C00F C 0.6895(9) 0.8072(5) 0.3430(3) 0.0289(15) Uani 1 1 d . . . . .
H00A H 0.804959 0.775316 0.356651 0.043 Uiso 1 1 calc GR . . . .
H00B H 0.688775 0.811063 0.298417 0.043 Uiso 1 1 calc GR . . . .
H00C H 0.581492 0.769005 0.356834 0.043 Uiso 1 1 calc GR . . . .
C00G C 0.4072(8) 0.9518(4) 0.5709(3) 0.0224(13) Uani 1 1 d . . . . .
H00E H 0.310013 0.942564 0.539928 0.034 Uiso 1 1 calc GR . . . .
H00F H 0.350285 0.976665 0.608463 0.034 Uiso 1 1 calc GR . . . .
H00G H 0.468513 0.888939 0.579158 0.034 Uiso 1 1 calc GR . . . .
C00H C 0.8944(8) 0.9349(5) 0.5880(3) 0.0260(14) Uani 1 1 d . . . . .
H00H H 0.806820 0.885020 0.602687 0.039 Uiso 1 1 calc GR . . . .
H00I H 1.007221 0.934333 0.613342 0.039 Uiso 1 1 calc GR . . . .
H00J H 0.928300 0.920792 0.545618 0.039 Uiso 1 1 calc GR . . . .
C00I C 0.9405(9) 1.1160(5) 0.5717(3) 0.0263(14) Uani 1 1 d . . . . .
H00L H 0.975031 1.105782 0.528942 0.039 Uiso 1 1 calc GR . . . .
H00M H 1.052843 1.112733 0.597185 0.039 Uiso 1 1 calc GR . . . .
H00N H 0.881835 1.180489 0.576255 0.039 Uiso 1 1 calc GR . . . .
C00O C 0.8021(8) 1.0360(4) 0.5916(3) 0.0176(12) Uani 1 1 d . . . . .
C00P C 0.4791(8) 1.1667(5) 0.5469(3) 0.0262(13) Uani 1 1 d . . . . .
H00O H 0.573070 1.215573 0.535312 0.039 Uiso 1 1 calc GR . . . .
H00P H 0.436743 1.179474 0.588616 0.039 Uiso 1 1 calc GR . . . .
H00Q H 0.372353 1.170849 0.518975 0.039 Uiso 1 1 calc GR . . . .
C00Q C 0.6989(10) 1.1736(5) 0.3148(3) 0.0348(15) Uani 1 1 d . . . . .
H00R H 0.631777 1.229421 0.332391 0.052 Uiso 1 1 calc GR . . . .
H00S H 0.644710 1.157372 0.274998 0.052 Uiso 1 1 calc GR . . . .
H00T H 0.831105 1.190575 0.309680 0.052 Uiso 1 1 calc GR . . . .
C00S C 0.7471(9) 1.0549(5) 0.6584(3) 0.0259(14) Uani 1 1 d . . . . .
H00U H 0.694425 1.120898 0.662204 0.039 Uiso 1 1 calc GR . . . .
H00V H 0.858176 1.049325 0.684351 0.039 Uiso 1 1 calc GR . . . .
H00W H 0.653816 1.006466 0.671187 0.039 Uiso 1 1 calc GR . . . .
F3 F 0.7339(13) 0.3843(6) 0.7760(4) 0.044(2) Uani 0.5 1 d . . P A 1
N0AA N 0.7170(18) 0.4427(8) 0.7285(5) 0.0315(15) Uani 0.5 1 d . . P A 2


_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
Au01 C007 1.963(6) . ?
Au01 C00B 2.060(3) . ?
Si02 C009 1.956(3) . ?
Si02 C00G 1.867(6) . ?
Si02 C00O 1.897(6) . ?
Si02 C00P 1.867(6) . ?
F003 C00E 1.305(5) . ?
N004 C007 1.148(7) . ?
N004 C00A 1.378(5) . ?
F005 C00J 1.298(5) . ?
F006 C00M 1.304(4) . ?
F008 C00R 1.311(5) . ?
C009 C00A 1.3900 . ?
C009 C00D 1.3900 . ?
C00A C00C 1.3900 . ?
C00C C00K 1.3900 . ?
C00C C00F 1.537(6) . ?
C00K H00K 0.9500 . ?
C00K C00L 1.3900 . ?
C00L C00D 1.3900 . ?
C00L C00Q 1.511(7) . ?
C00D H00D 0.9500 . ?
C00E C00B 1.3900 . ?
C00E C00J 1.3900 . ?
C00B C00M 1.3900 . ?
C00M C00R 1.3900 . ?
C00R C00N 1.3900 . ?
C00R N0AA 1.385(14) . ?
C00N C00J 1.3900 . ?
C00N F3 1.301(8) . ?
C00J N0AA 1.378(14) . ?
C00F H00A 0.9800 . ?
C00F H00B 0.9800 . ?
C00F H00C 0.9800 . ?
C00G H00E 0.9800 . ?
C00G H00F 0.9800 . ?
C00G H00G 0.9800 . ?
C00H H00H 0.9800 . ?
C00H H00I 0.9800 . ?
C00H H00J 0.9800 . ?
C00H C00O 1.530(8) . ?
C00I H00L 0.9800 . ?
C00I H00M 0.9800 . ?
C00I H00N 0.9800 . ?
C00I C00O 1.537(8) . ?
C00O C00S 1.539(8) . ?
C00P H00O 0.9800 . ?
C00P H00P 0.9800 . ?
C00P H00Q 0.9800 . ?
C00Q H00R 0.9800 . ?
C00Q H00S 0.9800 . ?
C00Q H00T 0.9800 . ?
C00S H00U 0.9800 . ?
C00S H00V 0.9800 . ?
C00S H00W 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
C007 Au01 C00B 174.2(2) . . ?
C00G Si02 C009 110.4(2) . . ?
C00G Si02 C00O 110.0(3) . . ?
C00O Si02 C009 111.5(2) . . ?
C00P Si02 C009 106.9(2) . . ?
C00P Si02 C00G 108.2(3) . . ?
C00P Si02 C00O 109.8(3) . . ?
C007 N004 C00A 177.0(6) . . ?
N004 C007 Au01 172.0(5) . . ?
C00A C009 Si02 122.99(18) . . ?
C00A C009 C00D 120.0 . . ?
C00D C009 Si02 116.81(18) . . ?
N004 C00A C009 121.5(3) . . ?
N004 C00A C00C 118.5(3) . . ?
C009 C00A C00C 120.0 . . ?
C00A C00C C00F 119.6(3) . . ?
C00K C00C C00A 120.0 . . ?
C00K C00C C00F 120.4(3) . . ?
C00C C00K H00K 120.0 . . ?
C00L C00K C00C 120.0 . . ?
C00L C00K H00K 120.0 . . ?
C00K C00L C00Q 118.9(3) . . ?
C00D C00L C00K 120.0 . . ?
C00D C00L C00Q 121.1(3) . . ?
C009 C00D H00D 120.0 . . ?
C00L C00D C009 120.0 . . ?
C00L C00D H00D 120.0 . . ?
F003 C00E C00B 122.9(3) . . ?
F003 C00E C00J 117.1(3) . . ?
C00B C00E C00J 120.0 . . ?
C00E C00B Au01 122.0(2) . . ?
C00M C00B Au01 118.0(2) . . ?
C00M C00B C00E 120.0 . . ?
F006 C00M C00B 122.6(3) . . ?
F006 C00M C00R 117.4(3) . . ?
C00R C00M C00B 120.0 . . ?
F008 C00R C00M 121.7(4) . . ?
F008 C00R C00N 118.3(4) . . ?
F008 C00R N0AA 119.0(6) . . ?
C00N C00R C00M 120.0 . . ?
N0AA C00R C00M 119.3(5) . . ?
C00J C00N C00R 120.0 . . ?
F3 C00N C00R 118.4(5) . . ?
F3 C00N C00J 121.6(5) . . ?
F005 C00J C00E 122.2(4) . . ?
F005 C00J C00N 117.8(4) . . ?
F005 C00J N0AA 118.3(6) . . ?
C00N C00J C00E 120.0 . . ?
N0AA C00J C00E 119.5(5) . . ?
C00C C00F H00A 109.5 . . ?
C00C C00F H00B 109.5 . . ?
C00C C00F H00C 109.5 . . ?
H00A C00F H00B 109.5 . . ?
H00A C00F H00C 109.5 . . ?
H00B C00F H00C 109.5 . . ?
Si02 C00G H00E 109.5 . . ?
Si02 C00G H00F 109.5 . . ?
Si02 C00G H00G 109.5 . . ?
H00E C00G H00F 109.5 . . ?
H00E C00G H00G 109.5 . . ?
H00F C00G H00G 109.5 . . ?
H00H C00H H00I 109.5 . . ?
H00H C00H H00J 109.5 . . ?
H00I C00H H00J 109.5 . . ?
C00O C00H H00H 109.5 . . ?
C00O C00H H00I 109.5 . . ?
C00O C00H H00J 109.5 . . ?
H00L C00I H00M 109.5 . . ?
H00L C00I H00N 109.5 . . ?
H00M C00I H00N 109.5 . . ?
C00O C00I H00L 109.5 . . ?
C00O C00I H00M 109.5 . . ?
C00O C00I H00N 109.5 . . ?
C00H C00O Si02 111.2(4) . . ?
C00H C00O C00I 110.3(5) . . ?
C00H C00O C00S 108.1(5) . . ?
C00I C00O Si02 109.9(4) . . ?
C00I C00O C00S 108.4(5) . . ?
C00S C00O Si02 108.8(4) . . ?
Si02 C00P H00O 109.5 . . ?
Si02 C00P H00P 109.5 . . ?
Si02 C00P H00Q 109.5 . . ?
H00O C00P H00P 109.5 . . ?
H00O C00P H00Q 109.5 . . ?
H00P C00P H00Q 109.5 . . ?
C00L C00Q H00R 109.5 . . ?
C00L C00Q H00S 109.5 . . ?
C00L C00Q H00T 109.5 . . ?
H00R C00Q H00S 109.5 . . ?
H00R C00Q H00T 109.5 . . ?
H00S C00Q H00T 109.5 . . ?
C00O C00S H00U 109.5 . . ?
C00O C00S H00V 109.5 . . ?
C00O C00S H00W 109.5 . . ?
H00U C00S H00V 109.5 . . ?
H00U C00S H00W 109.5 . . ?
H00V C00S H00W 109.5 . . ?
C00J N0AA C00R 121.3(9) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.947
_oxdiff_exptl_absorpt_empirical_full_min 0.483
####################################################################### 
# 
# 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_tys-336-1
_database_code_depnum_ccdc_archive 'CCDC 1953582'
loop_
_audit_author_name
_audit_author_address
'Naoki Toyoshima'
;Hokkaido University
Japan
;
_audit_update_record             
;
2019-09-14 deposited with the CCDC.	2020-01-24 downloaded from the CCDC.
;
_audit_creation_date             2019-08-31
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H23 Au F4 N2 Si'
_chemical_formula_sum            'C20 H23 Au F4 N2 Si'
_chemical_formula_weight         592.46
_chemical_absolute_configuration ad
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Au Si N F H C'
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'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 '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'
Si Si 0.2541 0.3302 '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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   7.20410(10)
_cell_length_b                   13.5498(2)
_cell_length_c                   21.8640(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2134.23(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8428
_cell_measurement_temperature    150
_cell_measurement_theta_max      75.5370
_cell_measurement_theta_min      3.8310
_shelx_estimated_absorpt_T_max   0.448
_shelx_estimated_absorpt_T_min   0.230
_exptl_absorpt_coefficient_mu    13.873
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.66255
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45h (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.844
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1144
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.077
_exptl_crystal_size_min          0.069
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0539
_diffrn_reflns_av_unetI/netI     0.0543
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            11641
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.883
_diffrn_reflns_theta_min         3.838
_diffrn_ambient_temperature      150
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     24.00 118.00   0.50    0.05    --   42.80  47.00  90.00  188
  2  ω   -156.00-119.00   0.50    0.06    --  -84.50 -95.00  83.00   74
  3  ω   -142.00 -85.00   0.50    0.06    --  -84.50 -85.00-179.00  114
  4  ω    132.00 173.00   0.50    0.06    --  108.63  47.00  90.00   82
  5  ω     93.00 126.00   0.50    0.06    --  108.63  47.00  90.00   66
  6  ω   -115.00 -70.00   0.50    0.05    --  -42.80-125.00  90.00   90
  7  ω   -113.00 -73.00   0.50    0.05    --  -42.80-125.00  60.00   80
  8  ω     72.00 115.00   0.50    0.05    --   42.80 125.00  30.00   86
  9  ω     43.00  77.00   0.50    0.06    --  108.63 -45.00-150.00   68
 10  ω     35.00  69.00   0.50    0.06    --  108.63 -94.00 -60.00   68
 11  ω     75.00 101.00   0.50    0.06    --  108.63 -94.00 -60.00   52
 12  ω     90.00 166.00   0.50    0.06    --  108.63  77.00-120.00  152
 13  ω     37.00  66.00   0.50    0.06    --  108.63 -30.00-180.00   58
 14  ω     72.00 110.00   0.50    0.06    --  108.63-125.00  90.00   76
 15  ω    108.00 134.00   0.50    0.06    --  108.63 -85.00-179.00   52
 16  ω     30.00  55.00   0.50    0.06    --  108.63 -30.00-150.00   50
 17  ω     40.00  65.00   0.50    0.06    --  108.63 -45.00 150.00   50
 18  ω     35.00  60.00   0.50    0.06    --  108.63 -45.00 -90.00   50
 19  ω     30.00  66.00   0.50    0.06    --  108.63 -30.00   0.00   72
 20  ω     37.00  66.00   0.50    0.06    --  108.63 -45.00-180.00   58
 21  ω     30.00  55.00   0.50    0.06    --  108.63 -30.00 120.00   50
 22  ω     39.00  92.00   0.50    0.06    --  108.63 -85.00-179.00  106
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'XtaLAB Synergy, Single source at home/near, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1208490000
_diffrn_orient_matrix_UB_12      -0.0792468000
_diffrn_orient_matrix_UB_13      -0.0311620000
_diffrn_orient_matrix_UB_21      -0.0355195000
_diffrn_orient_matrix_UB_22      0.0707184000
_diffrn_orient_matrix_UB_23      -0.0539673000
_diffrn_orient_matrix_UB_31      0.1726433000
_diffrn_orient_matrix_UB_32      -0.0409570000
_diffrn_orient_matrix_UB_33      -0.0327938000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.714
_reflns_Friedel_fraction_full    0.996
_reflns_Friedel_fraction_max     0.945
_reflns_number_gt                4225
_reflns_number_total             4287
_reflns_odcompleteness_completeness 100.00
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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       'CrysAlisPro 1.171.39.45h (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45h (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45h (Rigaku OD, 2018)'
_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         0.945
_refine_diff_density_min         -1.111
_refine_diff_density_rms         0.186
_refine_ls_abs_structure_details 
;
 Flack x determined using 1731 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.037(10)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     236
_refine_ls_number_reflns         4287
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0345
_refine_ls_R_factor_gt           0.0340
_refine_ls_restrained_S_all      1.065
_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)+(0.0453P)²+1.7257P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0850
_refine_ls_wR_factor_ref         0.0855
_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:
 C5(H5), C7(H7)
2.b Fitted hexagon refined as free rotating group:
 C23(C22,C21,N20,C19,C24), C3(C4,C5,C6,C7,C2)
2.c Idealised Me refined as rotating group:
 C13(H13a,H13b,H13c), C12(H12a,H12b,H12c), C14(H14a,H14b,H14c), C18(H18a,H18b,
 H18c), C10(H10a,H10b,H10c), C11(H11a,H11b,H11c), C17(H17a,H17b,H17c)
;
_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
Au1 Au 0.64869(4) 0.33675(2) 0.43690(2) 0.02271(12) Uani 1 1 d . . . . .
Si8 Si 0.5758(3) -0.03834(15) 0.45758(10) 0.0207(4) Uani 1 1 d . . . . .
F28 F 0.6928(10) 0.3030(4) 0.2953(3) 0.0455(16) Uani 1 1 d . . . . .
F26 F 0.6604(10) 0.5778(4) 0.4275(3) 0.0450(14) Uani 1 1 d . . . . .
F25 F 0.7048(12) 0.6916(4) 0.3280(4) 0.066(2) Uani 1 1 d . . . . .
N15 N 0.6375(9) 0.1650(5) 0.5315(3) 0.0222(12) Uani 1 1 d . . . . .
F27 F 0.7422(11) 0.4292(5) 0.2024(3) 0.0541(17) Uani 1 1 d . . . . .
C23 C 0.6744(8) 0.4345(3) 0.3651(2) 0.0237(16) Uani 1 1 d . . . . .
C22 C 0.6951(9) 0.3960(3) 0.3066(2) 0.0294(19) Uani 1 1 d G . . . .
C21 C 0.7187(9) 0.4590(4) 0.25704(19) 0.040(2) Uani 1 1 d G . . . .
N20 N 0.7216(9) 0.5606(4) 0.2660(2) 0.042(2) Uani 1 1 d G . . . .
C19 C 0.7008(10) 0.5991(3) 0.3245(3) 0.046(3) Uani 1 1 d G . . . .
C24 C 0.6773(9) 0.5361(4) 0.3741(2) 0.0300(18) Uani 1 1 d G . . . .
C16 C 0.6379(13) 0.2334(6) 0.5004(4) 0.0246(15) Uani 1 1 d . . . . .
C3 C 0.6457(8) 0.0827(3) 0.5677(2) 0.0242(14) Uani 1 1 d . . . . .
C4 C 0.6744(8) 0.0955(3) 0.6301(2) 0.0243(16) Uani 1 1 d G . . . .
C5 C 0.6893(8) 0.0138(4) 0.66816(16) 0.0321(19) Uani 1 1 d G . . . .
H5 H 0.708891 0.022532 0.710787 0.038 Uiso 1 1 calc R . . . .
C6 C 0.6754(9) -0.0808(3) 0.6439(2) 0.0305(18) Uani 1 1 d G . . . .
C7 C 0.6467(9) -0.0936(3) 0.5815(2) 0.0297(17) Uani 1 1 d G . . . .
H7 H 0.637246 -0.158175 0.564965 0.036 Uiso 1 1 calc R . . . .
C2 C 0.6319(8) -0.0118(3) 0.54343(16) 0.0242(15) Uani 1 1 d G . . . .
C9 C 0.7930(11) -0.0349(6) 0.4085(4) 0.0225(16) Uani 1 1 d . . . . .
C13 C 0.4034(12) 0.0531(7) 0.4283(4) 0.0312(19) Uani 1 1 d . . . . .
H13A H 0.301513 0.059736 0.457700 0.047 Uiso 1 1 calc GR . . . .
H13B H 0.354026 0.030348 0.388951 0.047 Uiso 1 1 calc GR . . . .
H13C H 0.464065 0.117223 0.422778 0.047 Uiso 1 1 calc GR . . . .
C12 C 0.9308(13) -0.1150(7) 0.4297(5) 0.0344(19) Uani 1 1 d . . . . .
H12A H 0.966139 -0.102704 0.472313 0.052 Uiso 1 1 calc GR . . . .
H12B H 1.041738 -0.113161 0.403792 0.052 Uiso 1 1 calc GR . . . .
H12C H 0.872051 -0.180018 0.426480 0.052 Uiso 1 1 calc GR . . . .
C14 C 0.4692(13) -0.1643(7) 0.4536(4) 0.0354(19) Uani 1 1 d . . . . .
H14A H 0.560447 -0.213676 0.466563 0.053 Uiso 1 1 calc GR . . . .
H14B H 0.430376 -0.178032 0.411493 0.053 Uiso 1 1 calc GR . . . .
H14C H 0.360866 -0.167086 0.480680 0.053 Uiso 1 1 calc GR . . . .
C18 C 0.6935(15) -0.1694(8) 0.6853(5) 0.043(2) Uani 1 1 d . . . . .
H18A H 0.648924 -0.228310 0.663833 0.064 Uiso 1 1 calc GR . . . .
H18B H 0.619244 -0.158984 0.722279 0.064 Uiso 1 1 calc GR . . . .
H18C H 0.824016 -0.178411 0.696587 0.064 Uiso 1 1 calc GR . . . .
C10 C 0.7403(13) -0.0546(7) 0.3419(4) 0.0327(19) Uani 1 1 d . . . . .
H10A H 0.681931 -0.119719 0.338596 0.049 Uiso 1 1 calc GR . . . .
H10B H 0.852144 -0.052834 0.316373 0.049 Uiso 1 1 calc GR . . . .
H10C H 0.653021 -0.003895 0.327903 0.049 Uiso 1 1 calc GR . . . .
C11 C 0.8866(13) 0.0675(7) 0.4116(5) 0.034(2) Uani 1 1 d . . . . .
H11A H 0.797503 0.118374 0.399173 0.051 Uiso 1 1 calc GR . . . .
H11B H 0.993827 0.068822 0.384010 0.051 Uiso 1 1 calc GR . . . .
H11C H 0.927946 0.080392 0.453543 0.051 Uiso 1 1 calc GR . . . .
C17 C 0.6851(15) 0.1998(7) 0.6569(4) 0.036(2) Uani 1 1 d . . . . .
H17A H 0.801766 0.231010 0.644390 0.055 Uiso 1 1 calc GR . . . .
H17B H 0.679936 0.196125 0.701650 0.055 Uiso 1 1 calc GR . . . .
H17C H 0.580271 0.239060 0.641891 0.055 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
Au1 C23 2.062(4) . ?
Au1 C16 1.974(8) . ?
Si8 C2 1.953(4) . ?
Si8 C9 1.898(8) . ?
Si8 C13 1.868(9) . ?
Si8 C14 1.874(9) . ?
F28 C22 1.285(7) . ?
F26 C24 1.303(7) . ?
F25 C19 1.256(7) . ?
N15 C16 1.150(11) . ?
N15 C3 1.368(7) . ?
F27 C21 1.273(7) . ?
C23 C22 1.3900 . ?
C23 C24 1.3900 . ?
C22 C21 1.3900 . ?
C21 N20 1.3900 . ?
N20 C19 1.3900 . ?
C19 C24 1.3900 . ?
C3 C4 1.3900 . ?
C3 C2 1.3900 . ?
C4 C5 1.3900 . ?
C4 C17 1.533(10) . ?
C5 H5 0.9500 . ?
C5 C6 1.3900 . ?
C6 C7 1.3900 . ?
C6 C18 1.509(10) . ?
C7 H7 0.9500 . ?
C7 C2 1.3900 . ?
C9 C12 1.542(11) . ?
C9 C10 1.529(12) . ?
C9 C11 1.544(12) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 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
C16 Au1 C23 174.2(3) . . ?
C9 Si8 C2 111.6(3) . . ?
C13 Si8 C2 110.2(3) . . ?
C13 Si8 C9 109.7(4) . . ?
C13 Si8 C14 108.4(4) . . ?
C14 Si8 C2 107.3(3) . . ?
C14 Si8 C9 109.5(4) . . ?
C16 N15 C3 177.2(8) . . ?
C22 C23 Au1 118.0(3) . . ?
C22 C23 C24 120.0 . . ?
C24 C23 Au1 122.0(3) . . ?
F28 C22 C23 122.9(5) . . ?
F28 C22 C21 117.1(5) . . ?
C23 C22 C21 120.0 . . ?
F27 C21 C22 123.6(5) . . ?
F27 C21 N20 116.4(5) . . ?
C22 C21 N20 120.0 . . ?
C19 N20 C21 120.0 . . ?
F25 C19 N20 115.3(6) . . ?
F25 C19 C24 124.7(6) . . ?
N20 C19 C24 120.0 . . ?
F26 C24 C23 123.7(5) . . ?
F26 C24 C19 116.3(5) . . ?
C19 C24 C23 120.0 . . ?
N15 C16 Au1 171.3(7) . . ?
N15 C3 C4 118.1(4) . . ?
N15 C3 C2 121.8(4) . . ?
C4 C3 C2 120.0 . . ?
C3 C4 C17 119.9(5) . . ?
C5 C4 C3 120.0 . . ?
C5 C4 C17 120.1(5) . . ?
C4 C5 H5 120.0 . . ?
C4 C5 C6 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 C7 120.0 . . ?
C5 C6 C18 119.9(5) . . ?
C7 C6 C18 120.1(5) . . ?
C6 C7 H7 120.0 . . ?
C6 C7 C2 120.0 . . ?
C2 C7 H7 120.0 . . ?
C3 C2 Si8 123.4(3) . . ?
C7 C2 Si8 116.5(3) . . ?
C7 C2 C3 120.0 . . ?
C12 C9 Si8 110.1(6) . . ?
C12 C9 C11 109.8(7) . . ?
C10 C9 Si8 109.2(6) . . ?
C10 C9 C12 108.8(7) . . ?
C10 C9 C11 107.9(7) . . ?
C11 C9 Si8 111.0(5) . . ?
Si8 C13 H13A 109.5 . . ?
Si8 C13 H13B 109.5 . . ?
Si8 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si8 C14 H14A 109.5 . . ?
Si8 C14 H14B 109.5 . . ?
Si8 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C6 C18 H18A 109.5 . . ?
C6 C18 H18B 109.5 . . ?
C6 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C4 C17 H17A 109.5 . . ?
C4 C17 H17B 109.5 . . ?
C4 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.397
_oxdiff_exptl_absorpt_empirical_full_min 0.745
