# Electronic Supplementary Material (ESI) for Chemical Science.
# 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. 
# 
#######################################################################

data_shelx
_database_code_depnum_ccdc_archive 'CCDC 2173296'
loop_
_audit_author_name
_audit_author_address
'Wanuk Choi'
;POSTECH
South Korea
;
_audit_update_record             
;
2022-05-17 deposited with the CCDC.	2022-08-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C19.18 H36.23 F2 Ge5.99 N4.26 O80 Si34.01'
_chemical_formula_weight         3034.56

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0066 0.0031 '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'
O O 0.0205 0.0115 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0122 0.0063 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.1333 0.1276 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge -0.7900 2.9348 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0318 0.0193 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_H-M_alt        'C 2/m'
_space_group_name_Hall           '-C 2y'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'

_cell_length_a                   21.573(4)
_cell_length_b                   22.578(5)
_cell_length_c                   12.562(3)
_cell_angle_alpha                90
_cell_angle_beta                 124.63(3)
_cell_angle_gamma                90
_cell_volume                     5035(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    8692
_cell_measurement_theta_min      1.953
_cell_measurement_theta_max      28.186

_exptl_crystal_description       prismatic
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    2.002
_exptl_crystal_F_000             3014
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_exptl_absorpt_coefficient_mu    4.888
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.8130
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.95116
_diffrn_radiation_type           synchrotron
_diffrn_source                   synchrotron
_diffrn_measurement_device_type  'MX225-HS CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            3400
_diffrn_reflns_av_unetI/netI     0.0489
_diffrn_reflns_av_R_equivalents  0.0431
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         1.953
_diffrn_reflns_theta_max         28.186
_diffrn_reflns_theta_full        34.799
_diffrn_measured_fraction_theta_max 0.704
_diffrn_measured_fraction_theta_full 0.403
_diffrn_reflns_Laue_measured_fraction_max 0.704
_diffrn_reflns_Laue_measured_fraction_full 0.403
_diffrn_reflns_point_group_measured_fraction_max 0.704
_diffrn_reflns_point_group_measured_fraction_full 0.403
_reflns_number_total             1893
_reflns_number_gt                1509
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'PAL 6D Program'
_computing_cell_refinement       'HKL2000 (Otwinowski & Minor, 1997)'
_computing_data_reduction        'HKL2000 (Otwinowski & Minor, 1997)'
_computing_structure_solution    'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    Mercury
_computing_publication_material  WinGX

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1548P)²+15.4677P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         1893
_refine_ls_number_parameters     387
_refine_ls_number_restraints     573
_refine_ls_R_factor_all          0.0804
_refine_ls_R_factor_gt           0.0685
_refine_ls_wR_factor_ref         0.2269
_refine_ls_wR_factor_gt          0.2137
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_restrained_S_all      0.981
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.002

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
F1 F 0.2885(6) 0.5000 0.8676(11) 0.170(6) Uani 1 2 d S T P . .
N1 N 0.1028(11) 0.5460(10) 0.325(2) 0.167(7) Uani 0.721(8) 1 d D U P . .
C1 C 0.1235(13) 0.6074(10) 0.331(2) 0.179(9) Uani 0.721(8) 1 d D U P . .
H1A H 0.1733 0.6095 0.3484 0.215 Uiso 0.721(8) 1 calc R U P . .
H1B H 0.1254 0.6268 0.4020 0.215 Uiso 0.721(8) 1 calc R U P . .
C2 C 0.0676(12) 0.6396(12) 0.206(2) 0.181(10) Uani 0.721(8) 1 d D U P . .
H2A H 0.0829 0.6801 0.2125 0.271 Uiso 0.721(8) 1 calc R U P . .
H2B H 0.0662 0.6208 0.1357 0.271 Uiso 0.721(8) 1 calc R U P . .
H2C H 0.0184 0.6381 0.1892 0.271 Uiso 0.721(8) 1 calc R U P . .
C3 C 0.138(2) 0.5000 0.303(4) 0.191(11) Uani 0.721(8) 2 d DS TU P . .
C4 C 0.1862(18) 0.5000 0.254(4) 0.205(13) Uani 0.721(8) 2 d DS TU P . .
H4A H 0.1747 0.5347 0.2002 0.246 Uiso 0.360(4) 1 calc R U P . .
H4B H 0.1747 0.4653 0.2002 0.246 Uiso 0.360(4) 1 calc R U P . .
C5 C 0.271(2) 0.5000 0.364(4) 0.234(19) Uani 0.721(8) 2 d DS TU P . .
H5A H 0.3001 0.5000 0.3284 0.351 Uiso 0.721(8) 2 calc R U P . .
H5B H 0.2828 0.5347 0.4168 0.351 Uiso 0.360(4) 1 calc R U P . .
H5C H 0.2828 0.4653 0.4168 0.351 Uiso 0.360(4) 1 calc R U P . .
C6 C 0.0526(12) 0.5323(2) 0.3598(18) 0.157(9) Uani 0.721(8) 1 d D U P . .
H6 H 0.0261 0.5580 0.3779 0.189 Uiso 0.721(8) 1 calc R U P . .
N2 N 0.512(2) 0.4591(16) 0.567(3) 0.152(12) Uani 0.349(7) 1 d D U P . .
C7 C 0.534(3) 0.3978(16) 0.573(5) 0.162(19) Uani 0.349(7) 1 d D U P . .
H7A H 0.5413 0.3788 0.6491 0.194 Uiso 0.349(7) 1 calc R U P . .
H7B H 0.5809 0.3960 0.5801 0.194 Uiso 0.349(7) 1 calc R U P . .
C8 C 0.472(2) 0.3655(18) 0.451(4) 0.099(13) Uani 0.349(7) 1 d D U P . .
H8A H 0.4861 0.3249 0.4541 0.148 Uiso 0.349(7) 1 calc R U P . .
H8B H 0.4255 0.3671 0.4449 0.148 Uiso 0.349(7) 1 calc R U P . .
H8C H 0.4650 0.3842 0.3760 0.148 Uiso 0.349(7) 1 calc R U P . .
C9 C 0.458(3) 0.5000 0.469(4) 0.137(13) Uani 0.349(7) 2 d DS TU P . .
C10 C 0.424(3) 0.5000 0.542(5) 0.147(13) Uani 0.349(7) 2 d DS TU P . .
H10A H 0.4369 0.5352 0.5951 0.176 Uiso 0.175(4) 1 calc R U P . .
H10B H 0.4369 0.4648 0.5951 0.176 Uiso 0.175(4) 1 calc R U P . .
C11 C 0.341(4) 0.5000 0.426(7) 0.22(3) Uani 0.349(7) 2 d DS TU P . .
H11A H 0.3091 0.5000 0.4562 0.323 Uiso 0.349(7) 2 calc R U P . .
H11B H 0.3312 0.5347 0.3743 0.323 Uiso 0.175(4) 1 calc R U P . .
H11C H 0.3312 0.4653 0.3743 0.323 Uiso 0.175(4) 1 calc R U P . .
C12 C 0.468(2) 0.4675(2) 0.619(3) 0.155(13) Uani 0.349(7) 1 d D U P . .
H12 H 0.4464 0.4404 0.6443 0.186 Uiso 0.349(7) 1 calc R U P . .
O1 O 0.3706(4) 0.5929(4) 0.8748(7) 0.098(2) Uani 1 1 d . U . . .
O2 O 0.2210(4) 0.5765(4) 0.6683(8) 0.098(2) Uani 1 1 d . U . . .
O3 O 0.2061(4) 0.5911(4) 0.8734(7) 0.102(2) Uani 1 1 d . U . . .
O4 O 0.3555(4) 0.5757(4) 1.0793(8) 0.097(2) Uani 1 1 d . U . . .
O5 O 0.3225(4) 0.6126(4) 0.6301(7) 0.093(2) Uani 1 1 d . U . . .
O6 O 0.4204(4) 0.6993(4) 0.7472(8) 0.107(3) Uani 1 1 d . U . . .
O7 O 0.5000 0.7025(5) 1.0000 0.095(3) Uani 1 2 d S TU P . .
O8 O 0.4839(4) 0.6121(4) 1.1170(7) 0.088(2) Uani 1 1 d . U . . .
O9 O 0.0942(4) 0.6133(4) 0.6342(7) 0.089(2) Uani 1 1 d . U . . .
O10 O 0.0877(4) 0.7068(4) 0.7493(7) 0.104(3) Uani 1 1 d . U . . .
O11 O 0.3320(4) 0.7953(4) 0.9959(7) 0.092(2) Uani 1 1 d . U . . .
O12 O 0.2522(4) 0.6103(4) 1.1154(7) 0.091(2) Uani 1 1 d . U . . .
O13 O 0.4365(4) 0.7180(4) 1.1219(7) 0.100(3) Uani 1 1 d . U . . .
O14 O 0.1311(6) 0.5000 0.6977(10) 0.091(3) Uani 1 2 d S TU P . .
O15 O 0.3296(6) 0.5000 0.6989(11) 0.096(3) Uani 1 2 d S TU P . .
O16 O 0.2783(5) 0.7172(4) 0.6530(8) 0.106(3) Uani 1 1 d . U . . .
O17 O 0.3227(4) 0.7026(4) 0.4979(8) 0.103(3) Uani 1 1 d . U . . .
O18 O 0.2605(5) 0.6986(4) 0.2567(8) 0.105(3) Uani 1 1 d . U . . .
O19 O 0.2492(6) 0.5000 1.0488(11) 0.098(3) Uani 1 2 d S TU P . .
O20 O 0.4439(6) 0.5000 1.0478(11) 0.095(3) Uani 1 2 d S TU P . .
O21 O 0.1439(4) 0.7172(4) 0.6113(8) 0.106(3) Uani 1 1 d . U . . .
O22 O 0.3140(4) 0.7098(4) 1.1136(8) 0.100(3) Uani 1 1 d . U . . .
O23 O 0.0000 0.6998(6) 0.5000 0.111(4) Uani 1 2 d S TU P . .
Ge1 Ge 0.4101 0.5673 1.0249 0.0873(13) Uani 0.405(10) 1 d . U P . .
Si1 Si 0.4101 0.5673 1.0249 0.0873(13) Uani 0.595(10) 1 d . U P . .
Ge2 Ge 0.3103 0.5668 0.7240 0.0922(12) Uani 0.470(10) 1 d . U P . .
Si2 Si 0.3103 0.5668 0.7240 0.0922(12) Uani 0.530(10) 1 d . U P . .
Ge3 Ge 0.1684 0.5669 0.7250 0.0902(13) Uani 0.382(9) 1 d . U P . .
Si3 Si 0.1684 0.5669 0.7250 0.0902(13) Uani 0.618(9) 1 d . U P . .
Ge4 Ge 0.2664 0.5669 1.0244 0.0890(13) Uani 0.352(10) 1 d . U P . .
Si4 Si 0.2664 0.5669 1.0244 0.0890(13) Uani 0.648(10) 1 d . U P . .
Si5 Si 0.33496(17) 0.68263(18) 0.6319(3) 0.0798(13) Uani 1 1 d . U . . .
Si7 Si 0.50049(16) 0.68166(16) 1.1224(3) 0.0758(12) Uani 1 1 d . U . . .
Si8 Si 0.08310(18) 0.68368(18) 0.6248(3) 0.0808(13) Uani 1 1 d . U . . .
Si9 Si 0.37354(17) 0.75410(17) 1.1214(3) 0.0855(13) Uani 1 1 d . U . . .
Si10 Si 0.24879(17) 0.68121(18) 0.1223(3) 0.0829(13) Uani 1 1 d . U . . .
Si11 Si 0.29108(15) 0.74346(18) 0.3746(3) 0.0784(13) Uani 1 1 d . U . . .


_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
N1 C6 1.408(10) . ?
N1 C3 1.413(11) . ?
N1 C1 1.445(11) . ?
C1 C2 1.521(11) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 N1 1.413(11) 6_565 ?
C3 C4 1.471(11) . ?
C4 C5 1.547(11) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 C6 1.457(11) 6_565 ?
C6 H6 0.9300 . ?
N2 C12 1.429(11) . ?
N2 C9 1.441(11) . ?
N2 C7 1.452(11) . ?
N2 C10 1.96(7) . ?
C7 C8 1.535(11) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 N2 1.441(11) 6_565 ?
C9 C10 1.469(11) . ?
C10 C11 1.537(11) . ?
C10 N2 1.96(7) 6_565 ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C12 1.468(11) 6_565 ?
C12 H12 0.9300 . ?
O1 Si1 1.670(8) . ?
O1 Ge1 1.670(8) . ?
O1 Si2 1.682(8) . ?
O1 Ge2 1.682(8) . ?
O2 Si2 1.648(7) . ?
O2 Ge2 1.648(7) . ?
O2 Si3 1.662(7) . ?
O2 Ge3 1.662(7) . ?
O3 Si3 1.646(8) . ?
O3 Ge3 1.646(8) . ?
O3 Si4 1.668(8) . ?
O3 Ge4 1.668(8) . ?
O4 Si4 1.645(7) . ?
O4 Ge4 1.645(7) . ?
O4 Ge1 1.676(8) . ?
O4 Si1 1.676(8) . ?
O5 Si5 1.603(10) . ?
O5 Ge2 1.697(8) . ?
O5 Si2 1.697(8) . ?
O6 Si7 1.605(9) 2_657 ?
O6 Si5 1.614(9) . ?
O7 Si7 1.602(5) 2_657 ?
O7 Si7 1.602(5) . ?
O8 Si7 1.603(9) . ?
O8 Ge1 1.675(8) . ?
O8 Si1 1.675(8) . ?
O9 Si8 1.602(9) . ?
O9 Ge3 1.698(8) . ?
O9 Si3 1.698(8) . ?
O10 Si8 1.597(9) . ?
O10 Si9 1.604(9) 7_567 ?
O11 Si9 1.596(9) . ?
O11 Si10 1.608(8) 7_566 ?
O12 Si10 1.607(9) 1_556 ?
O12 Ge4 1.661(8) . ?
O12 Si4 1.661(8) . ?
O13 Si9 1.581(8) . ?
O13 Si7 1.603(8) . ?
O14 Si3 1.653(4) 6_565 ?
O14 Ge3 1.653(4) 6_565 ?
O14 Ge3 1.653(4) . ?
O14 Si3 1.653(4) . ?
O15 Si2 1.642(5) . ?
O15 Ge2 1.642(5) . ?
O15 Si2 1.642(5) 6_565 ?
O15 Ge2 1.642(5) 6_565 ?
O16 Si5 1.594(9) . ?
O16 Si11 1.600(9) 7_566 ?
O17 Si11 1.587(9) . ?
O17 Si5 1.612(9) . ?
O18 Si11 1.596(9) . ?
O18 Si10 1.607(9) . ?
O19 Si4 1.625(4) . ?
O19 Ge4 1.625(4) . ?
O19 Si4 1.626(4) 6_565 ?
O19 Ge4 1.626(4) 6_565 ?
O20 Si1 1.637(4) 6_565 ?
O20 Ge1 1.637(4) 6_565 ?
O20 Ge1 1.637(4) . ?
O20 Si1 1.637(4) . ?
O21 Si11 1.583(9) 7_566 ?
O21 Si8 1.604(9) . ?
O22 Si9 1.587(8) . ?
O22 Si10 1.607(8) 1_556 ?
O23 Si8 1.615(5) 2_556 ?
O23 Si8 1.615(5) . ?
Si7 O6 1.605(9) 2_657 ?
Si9 O10 1.604(9) 7_567 ?
Si10 O22 1.607(8) 1_554 ?
Si10 O12 1.607(9) 1_554 ?
Si10 O11 1.608(8) 7_566 ?
Si11 O21 1.583(9) 7_566 ?
Si11 O16 1.600(9) 7_566 ?

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
C6 N1 C3 120(2) . . ?
C6 N1 C1 117.7(19) . . ?
C3 N1 C1 121.8(19) . . ?
N1 C1 C2 111(2) . . ?
N1 C1 H1A 109.3 . . ?
C2 C1 H1A 109.3 . . ?
N1 C1 H1B 109.3 . . ?
C2 C1 H1B 109.3 . . ?
H1A C1 H1B 108.0 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N1 C3 N1 95(3) . 6_565 ?
N1 C3 C4 132.5(14) . . ?
N1 C3 C4 132.5(14) 6_565 . ?
C3 C4 C5 112(3) . . ?
C3 C4 H4A 109.1 . . ?
C5 C4 H4A 109.1 . . ?
C3 C4 H4B 109.1 . . ?
C5 C4 H4B 109.1 . . ?
H4A C4 H4B 107.9 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
N1 C6 C6 102.7(10) . 6_565 ?
N1 C6 H6 128.7 . . ?
C6 C6 H6 128.6 6_565 . ?
C12 N2 C9 84(3) . . ?
C12 N2 C7 113(4) . . ?
C9 N2 C7 137(4) . . ?
C12 N2 C10 35(2) . . ?
C9 N2 C10 48(2) . . ?
C7 N2 C10 136(4) . . ?
N2 C7 C8 109(4) . . ?
N2 C7 H7A 109.9 . . ?
C8 C7 H7A 109.9 . . ?
N2 C7 H7B 109.9 . . ?
C8 C7 H7B 109.9 . . ?
H7A C7 H7B 108.3 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N2 C9 N2 80(4) 6_565 . ?
N2 C9 C10 85(4) 6_565 . ?
N2 C9 C10 85(4) . . ?
C9 C10 C11 98(5) . . ?
C9 C10 N2 46.9(19) . 6_565 ?
C11 C10 N2 130(4) . 6_565 ?
C9 C10 N2 46.9(19) . . ?
C11 C10 N2 130(4) . . ?
N2 C10 N2 56(3) 6_565 . ?
C9 C10 H10A 112.2 . . ?
C11 C10 H10A 112.2 . . ?
N2 C10 H10A 68.3 6_565 . ?
N2 C10 H10A 113.6 . . ?
C9 C10 H10B 112.2 . . ?
C11 C10 H10B 112.2 . . ?
N2 C10 H10B 113.6 6_565 . ?
N2 C10 H10B 68.3 . . ?
H10A C10 H10B 109.8 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N2 C12 C12 97.6(15) . 6_565 ?
N2 C12 H12 131.2 . . ?
C12 C12 H12 131.2 6_565 . ?
Si1 O1 Ge1 0.0 . . ?
Si1 O1 Si2 136.3(6) . . ?
Ge1 O1 Si2 136.3(6) . . ?
Si1 O1 Ge2 136.3(6) . . ?
Ge1 O1 Ge2 136.3(6) . . ?
Si2 O1 Ge2 0.0 . . ?
Si2 O2 Ge2 0.0 . . ?
Si2 O2 Si3 136.0(5) . . ?
Ge2 O2 Si3 136.0(5) . . ?
Si2 O2 Ge3 136.0(5) . . ?
Ge2 O2 Ge3 136.0(5) . . ?
Si3 O2 Ge3 0.0 . . ?
Si3 O3 Ge3 0.0 . . ?
Si3 O3 Si4 138.0(6) . . ?
Ge3 O3 Si4 138.0(6) . . ?
Si3 O3 Ge4 138.0(6) . . ?
Ge3 O3 Ge4 138.0(6) . . ?
Si4 O3 Ge4 0.0 . . ?
Si4 O4 Ge4 0.0 . . ?
Si4 O4 Ge1 137.8(5) . . ?
Ge4 O4 Ge1 137.8(5) . . ?
Si4 O4 Si1 137.8(5) . . ?
Ge4 O4 Si1 137.8(5) . . ?
Ge1 O4 Si1 0.0 . . ?
Si5 O5 Ge2 133.0(5) . . ?
Si5 O5 Si2 133.0(5) . . ?
Ge2 O5 Si2 0.0 . . ?
Si7 O6 Si5 150.3(7) 2_657 . ?
Si7 O7 Si7 145.8(9) 2_657 . ?
Si7 O8 Ge1 136.3(5) . . ?
Si7 O8 Si1 136.3(5) . . ?
Ge1 O8 Si1 0.0 . . ?
Si8 O9 Ge3 134.9(5) . . ?
Si8 O9 Si3 134.9(5) . . ?
Ge3 O9 Si3 0.0 . . ?
Si8 O10 Si9 151.4(6) . 7_567 ?
Si9 O11 Si10 144.1(6) . 7_566 ?
Si10 O12 Ge4 131.1(5) 1_556 . ?
Si10 O12 Si4 131.1(5) 1_556 . ?
Ge4 O12 Si4 0.0 . . ?
Si9 O13 Si7 179.8(7) . . ?
Si3 O14 Ge3 0.0 6_565 6_565 ?
Si3 O14 Ge3 132.0(6) 6_565 . ?
Ge3 O14 Ge3 132.0(6) 6_565 . ?
Si3 O14 Si3 132.0(6) 6_565 . ?
Ge3 O14 Si3 132.0(6) 6_565 . ?
Ge3 O14 Si3 0.0 . . ?
Si2 O15 Ge2 0.0 . . ?
Si2 O15 Si2 133.4(7) . 6_565 ?
Ge2 O15 Si2 133.4(7) . 6_565 ?
Si2 O15 Ge2 133.4(7) . 6_565 ?
Ge2 O15 Ge2 133.4(7) . 6_565 ?
Si2 O15 Ge2 0.0 6_565 6_565 ?
Si5 O16 Si11 161.3(6) . 7_566 ?
Si11 O17 Si5 155.1(6) . . ?
Si11 O18 Si10 149.9(7) . . ?
Si4 O19 Ge4 0.0 . . ?
Si4 O19 Si4 136.6(8) . 6_565 ?
Ge4 O19 Si4 136.6(8) . 6_565 ?
Si4 O19 Ge4 136.6(8) . 6_565 ?
Ge4 O19 Ge4 136.6(8) . 6_565 ?
Si4 O19 Ge4 0.0 6_565 6_565 ?
Si1 O20 Ge1 0.0 6_565 6_565 ?
Si1 O20 Ge1 136.1(7) 6_565 . ?
Ge1 O20 Ge1 136.1(7) 6_565 . ?
Si1 O20 Si1 136.1(7) 6_565 . ?
Ge1 O20 Si1 136.1(7) 6_565 . ?
Ge1 O20 Si1 0.0 . . ?
Si11 O21 Si8 168.1(6) 7_566 . ?
Si9 O22 Si10 163.3(6) . 1_556 ?
Si8 O23 Si8 154.0(10) 2_556 . ?
O20 Ge1 O1 114.2(5) . . ?
O20 Ge1 O8 106.6(4) . . ?
O1 Ge1 O8 104.2(4) . . ?
O20 Ge1 O4 112.3(5) . . ?
O1 Ge1 O4 113.3(4) . . ?
O8 Ge1 O4 105.2(4) . . ?
O20 Si1 O1 114.2(5) . . ?
O20 Si1 O8 106.6(4) . . ?
O1 Si1 O8 104.2(4) . . ?
O20 Si1 O4 112.3(5) . . ?
O1 Si1 O4 113.3(4) . . ?
O8 Si1 O4 105.2(4) . . ?
O15 Ge2 O2 113.8(5) . . ?
O15 Ge2 O1 114.8(5) . . ?
O2 Ge2 O1 113.6(4) . . ?
O15 Ge2 O5 105.6(5) . . ?
O2 Ge2 O5 103.3(4) . . ?
O1 Ge2 O5 104.1(4) . . ?
O15 Si2 O2 113.8(5) . . ?
O15 Si2 O1 114.8(5) . . ?
O2 Si2 O1 113.6(4) . . ?
O15 Si2 O5 105.6(5) . . ?
O2 Si2 O5 103.3(4) . . ?
O1 Si2 O5 104.1(4) . . ?
O3 Ge3 O14 114.0(5) . . ?
O3 Ge3 O2 115.0(4) . . ?
O14 Ge3 O2 113.6(5) . . ?
O3 Ge3 O9 103.1(4) . . ?
O14 Ge3 O9 105.2(4) . . ?
O2 Ge3 O9 104.1(4) . . ?
O3 Si3 O14 114.0(5) . . ?
O3 Si3 O2 115.0(4) . . ?
O14 Si3 O2 113.6(5) . . ?
O3 Si3 O9 103.1(4) . . ?
O14 Si3 O9 105.2(4) . . ?
O2 Si3 O9 104.1(4) . . ?
O19 Ge4 O4 111.7(5) . . ?
O19 Ge4 O12 105.5(5) . . ?
O4 Ge4 O12 105.6(4) . . ?
O19 Ge4 O3 113.9(5) . . ?
O4 Ge4 O3 114.1(4) . . ?
O12 Ge4 O3 105.1(4) . . ?
O19 Si4 O4 111.7(5) . . ?
O19 Si4 O12 105.5(5) . . ?
O4 Si4 O12 105.6(4) . . ?
O19 Si4 O3 113.9(5) . . ?
O4 Si4 O3 114.1(4) . . ?
O12 Si4 O3 105.1(4) . . ?
O16 Si5 O5 110.4(5) . . ?
O16 Si5 O17 110.5(5) . . ?
O5 Si5 O17 109.5(5) . . ?
O16 Si5 O6 109.2(5) . . ?
O5 Si5 O6 109.8(5) . . ?
O17 Si5 O6 107.4(5) . . ?
O7 Si7 O8 111.6(5) . . ?
O7 Si7 O6 109.3(4) . 2_657 ?
O8 Si7 O6 111.6(5) . 2_657 ?
O7 Si7 O13 108.0(4) . . ?
O8 Si7 O13 109.3(4) . . ?
O6 Si7 O13 106.9(5) 2_657 . ?
O10 Si8 O9 109.2(5) . . ?
O10 Si8 O21 110.4(5) . . ?
O9 Si8 O21 112.3(5) . . ?
O10 Si8 O23 107.1(4) . . ?
O9 Si8 O23 109.4(6) . . ?
O21 Si8 O23 108.3(5) . . ?
O13 Si9 O22 109.8(5) . . ?
O13 Si9 O11 107.6(4) . . ?
O22 Si9 O11 109.0(4) . . ?
O13 Si9 O10 109.1(4) . 7_567 ?
O22 Si9 O10 110.3(5) . 7_567 ?
O11 Si9 O10 110.9(5) . 7_567 ?
O22 Si10 O12 109.1(5) 1_554 1_554 ?
O22 Si10 O18 110.7(5) 1_554 . ?
O12 Si10 O18 108.4(5) 1_554 . ?
O22 Si10 O11 109.7(5) 1_554 7_566 ?
O12 Si10 O11 109.8(5) 1_554 7_566 ?
O18 Si10 O11 109.3(5) . 7_566 ?
O21 Si11 O17 110.8(4) 7_566 . ?
O21 Si11 O18 109.5(5) 7_566 . ?
O17 Si11 O18 105.0(6) . . ?
O21 Si11 O16 112.0(6) 7_566 7_566 ?
O17 Si11 O16 111.3(4) . 7_566 ?
O18 Si11 O16 108.0(5) . 7_566 ?

_refine_diff_density_max         0.697
_refine_diff_density_min         -0.557
_refine_diff_density_rms         0.129

_shelxl_version_number           2014-3


# start Validation Reply Form
_vrf_THETM01_shelx               
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: The small crystal size as well as overall low crystal quality led low theta max. However, the data collection was proper to the sample and conditions. 
;
_vrf_PLAT088_shelx               
;
PROBLEM: Poor Data / Parameter Ratio ....................       4.89 Note  
RESPONSE: The small crystal size as well as overall low crystal quality led poor data/parameter ratio. However, the data process was proper to the sample and conditions.
;
# end Validation Reply Form
