# 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_sh3832
_database_code_depnum_ccdc_archive 'CCDC 2002462'
loop_
_audit_author_name
_audit_author_address
'Volker Huch'
;Uni des Saarlandes
Germany
;
_audit_update_record             
;
2020-05-07 deposited with the CCDC.	2020-08-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C19 H42 Si5'
_chemical_formula_sum            'C19 H42 Si5'
_chemical_formula_weight         410.97

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   9.0809(7)
_cell_length_b                   9.9667(9)
_cell_length_c                   14.8247(13)
_cell_angle_alpha                89.447(2)
_cell_angle_beta                 89.918(2)
_cell_angle_gamma                87.141(2)
_cell_volume                     1340.0(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    152(2)
_cell_measurement_reflns_used    8746
_cell_measurement_theta_min      2.45
_cell_measurement_theta_max      32.56

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.019
_exptl_crystal_F_000             452
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.603
_exptl_crystal_size_mid          0.404
_exptl_crystal_size_min          0.188
_exptl_absorpt_coefficient_mu    0.268
_shelx_estimated_absorpt_T_min   0.855
_shelx_estimated_absorpt_T_max   0.951
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6930
_exptl_absorpt_correction_T_max  0.7464
_exptl_absorpt_process_details   
; 
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., 
 J. Appl. Cryst. 48 (2015) 3-10 
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      152(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            31847
_diffrn_reflns_av_unetI/netI     0.0253
_diffrn_reflns_av_R_equivalents  0.0235
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.374
_diffrn_reflns_theta_max         32.651
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             9747
_reflns_number_gt                8254
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0369P)²+1.4996P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9747
_refine_ls_number_parameters     231
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0586
_refine_ls_R_factor_gt           0.0497
_refine_ls_wR_factor_ref         0.1327
_refine_ls_wR_factor_gt          0.1290
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_restrained_S_all      1.078
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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 0.84466(5) 0.40532(5) 0.76198(4) 0.02491(10) Uani 1 1 d . . . . .
Si2 Si 0.65772(5) 0.23972(4) 0.74318(3) 0.01988(9) Uani 1 1 d . . . . .
Si3 Si 0.73089(6) 0.10806(5) 0.86942(4) 0.02892(11) Uani 1 1 d . . . . .
Si4 Si 0.74470(6) 0.12506(5) 0.61446(3) 0.02598(10) Uani 1 1 d . . . . .
Si5 Si 0.39808(5) 0.24306(6) 0.73991(4) 0.02951(11) Uani 1 1 d . . . . .
C1 C 0.7330(2) 0.58729(18) 0.79626(16) 0.0341(4) Uani 1 1 d . . . . .
C2 C 0.8646(2) 0.63348(19) 0.83690(13) 0.0318(4) Uani 1 1 d . . . . .
C3 C 0.9660(2) 0.65854(17) 0.76934(14) 0.0294(3) Uani 1 1 d . . . . .
C4 C 0.9055(2) 0.62610(19) 0.68646(14) 0.0339(4) Uani 1 1 d . . . . .
C5 C 0.7587(2) 0.58417(18) 0.70010(15) 0.0348(4) Uani 1 1 d . . . . .
C6 C 0.5842(3) 0.5810(3) 0.8410(2) 0.0586(8) Uani 1 1 d . . . . .
H6A H 0.597021 0.548347 0.903192 0.088 Uiso 1 1 calc R U . . .
H6B H 0.523705 0.519690 0.807635 0.088 Uiso 1 1 calc R U . . .
H6C H 0.535331 0.670903 0.841234 0.088 Uiso 1 1 calc R U . . .
C7 C 0.8887(4) 0.6487(3) 0.93588(17) 0.0581(7) Uani 1 1 d . . . . .
H7A H 0.987986 0.613332 0.951725 0.087 Uiso 1 1 calc R U . . .
H7B H 0.815553 0.598869 0.969288 0.087 Uiso 1 1 calc R U . . .
H7C H 0.878232 0.744047 0.951560 0.087 Uiso 1 1 calc R U . . .
C8 C 1.1225(3) 0.6951(2) 0.7845(2) 0.0491(6) Uani 1 1 d . . . . .
H8A H 1.125328 0.761698 0.832612 0.074 Uiso 1 1 calc R U . . .
H8B H 1.161994 0.733016 0.728746 0.074 Uiso 1 1 calc R U . . .
H8C H 1.182401 0.614576 0.801996 0.074 Uiso 1 1 calc R U . . .
C9 C 0.9822(4) 0.6355(3) 0.59723(18) 0.0591(7) Uani 1 1 d . . . . .
H9A H 1.024287 0.723835 0.591091 0.089 Uiso 1 1 calc R U . . .
H9B H 0.911250 0.623829 0.548540 0.089 Uiso 1 1 calc R U . . .
H9C H 1.061254 0.565162 0.593694 0.089 Uiso 1 1 calc R U . . .
C10 C 0.6447(3) 0.5741(2) 0.6279(2) 0.0606(8) Uani 1 1 d . . . . .
H10A H 0.592902 0.661809 0.619059 0.091 Uiso 1 1 calc R U . . .
H10B H 0.573906 0.507783 0.646070 0.091 Uiso 1 1 calc R U . . .
H10C H 0.692714 0.545987 0.571482 0.091 Uiso 1 1 calc R U . . .
C11 C 0.9291(3) 0.0467(3) 0.86057(19) 0.0485(6) Uani 1 1 d . . . . .
H11A H 0.991423 0.123764 0.854216 0.073 Uiso 1 1 calc R U . . .
H11B H 0.941939 -0.011057 0.807747 0.073 Uiso 1 1 calc R U . . .
H11C H 0.957396 -0.004498 0.915116 0.073 Uiso 1 1 calc R U . . .
C12 C 0.6180(3) -0.0436(2) 0.88677(18) 0.0477(6) Uani 1 1 d . . . . .
H12A H 0.651873 -0.092402 0.941211 0.072 Uiso 1 1 calc R U . . .
H12B H 0.629624 -0.102646 0.834476 0.072 Uiso 1 1 calc R U . . .
H12C H 0.513919 -0.014747 0.893637 0.072 Uiso 1 1 calc R U . . .
C13 C 0.7104(3) 0.2139(3) 0.97302(16) 0.0518(6) Uani 1 1 d . . . . .
H13A H 0.606609 0.243177 0.980838 0.078 Uiso 1 1 calc R U . . .
H13B H 0.770035 0.292680 0.966508 0.078 Uiso 1 1 calc R U . . .
H13C H 0.743921 0.160996 1.025858 0.078 Uiso 1 1 calc R U . . .
C14 C 0.9484(2) 0.1383(3) 0.60346(17) 0.0485(6) Uani 1 1 d . . . . .
H14A H 0.998050 0.089269 0.653307 0.073 Uiso 1 1 calc R U . . .
H14B H 0.972382 0.233041 0.605327 0.073 Uiso 1 1 calc R U . . .
H14C H 0.981658 0.099618 0.545965 0.073 Uiso 1 1 calc R U . . .
C15 C 0.7087(3) -0.0582(2) 0.6155(2) 0.0505(6) Uani 1 1 d . . . . .
H15A H 0.746440 -0.099122 0.559659 0.076 Uiso 1 1 calc R U . . .
H15B H 0.602338 -0.069482 0.619925 0.076 Uiso 1 1 calc R U . . .
H15C H 0.758446 -0.101874 0.667356 0.076 Uiso 1 1 calc R U . . .
C16 C 0.6571(3) 0.2029(3) 0.51063(15) 0.0478(6) Uani 1 1 d . . . . .
H16A H 0.673292 0.299373 0.509276 0.072 Uiso 1 1 calc R U . . .
H16B H 0.551026 0.189169 0.511485 0.072 Uiso 1 1 calc R U . . .
H16C H 0.701367 0.160759 0.456919 0.072 Uiso 1 1 calc R U . . .
C17 C 0.3167(3) 0.2861(3) 0.85282(18) 0.0492(6) Uani 1 1 d . . . . .
H17A H 0.209225 0.297628 0.847482 0.074 Uiso 1 1 calc R U . . .
H17B H 0.356329 0.369849 0.874089 0.074 Uiso 1 1 calc R U . . .
H17C H 0.341907 0.213493 0.895941 0.074 Uiso 1 1 calc R U . . .
C18 C 0.3111(3) 0.3638(3) 0.65515(19) 0.0500(6) Uani 1 1 d . . . . .
H18A H 0.204200 0.354167 0.654362 0.075 Uiso 1 1 calc R U . . .
H18B H 0.351790 0.344398 0.595169 0.075 Uiso 1 1 calc R U . . .
H18C H 0.331789 0.455955 0.671731 0.075 Uiso 1 1 calc R U . . .
C19 C 0.3379(3) 0.0717(3) 0.7091(2) 0.0502(6) Uani 1 1 d . . . . .
H19A H 0.393790 0.003329 0.744682 0.075 Uiso 1 1 calc R U . . .
H19B H 0.356063 0.056382 0.644725 0.075 Uiso 1 1 calc R U . . .
H19C H 0.232403 0.066117 0.721726 0.075 Uiso 1 1 calc R 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
Si1 C1 2.0999(19) . ?
Si1 C5 2.1119(19) . ?
Si1 Si2 2.4441(7) . ?
Si2 Si4 2.3492(7) . ?
Si2 Si3 2.3526(7) . ?
Si2 Si5 2.3569(7) . ?
Si3 C13 1.875(3) . ?
Si3 C11 1.876(2) . ?
Si3 C12 1.884(2) . ?
Si4 C14 1.868(2) . ?
Si4 C15 1.871(2) . ?
Si4 C16 1.877(2) . ?
Si5 C17 1.874(2) . ?
Si5 C18 1.879(2) . ?
Si5 C19 1.880(2) . ?
C1 C2 1.438(3) . ?
C1 C5 1.445(3) . ?
C1 C6 1.507(3) . ?
C2 C3 1.388(3) . ?
C2 C7 1.494(3) . ?
C3 C4 1.394(3) . ?
C3 C8 1.503(3) . ?
C4 C5 1.431(3) . ?
C4 C9 1.498(3) . ?
C5 C10 1.497(3) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 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 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 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
C1 Si1 C5 40.12(9) . . ?
C1 Si1 Si2 106.96(6) . . ?
C5 Si1 Si2 106.14(6) . . ?
Si4 Si2 Si3 107.18(3) . . ?
Si4 Si2 Si5 107.51(3) . . ?
Si3 Si2 Si5 106.24(3) . . ?
Si4 Si2 Si1 101.52(2) . . ?
Si3 Si2 Si1 95.40(2) . . ?
Si5 Si2 Si1 136.15(3) . . ?
C13 Si3 C11 107.99(13) . . ?
C13 Si3 C12 107.64(13) . . ?
C11 Si3 C12 107.41(12) . . ?
C13 Si3 Si2 108.71(9) . . ?
C11 Si3 Si2 111.38(8) . . ?
C12 Si3 Si2 113.51(8) . . ?
C14 Si4 C15 106.91(13) . . ?
C14 Si4 C16 107.57(13) . . ?
C15 Si4 C16 108.12(13) . . ?
C14 Si4 Si2 110.20(8) . . ?
C15 Si4 Si2 113.90(9) . . ?
C16 Si4 Si2 109.91(8) . . ?
C17 Si5 C18 107.34(13) . . ?
C17 Si5 C19 107.75(13) . . ?
C18 Si5 C19 106.41(13) . . ?
C17 Si5 Si2 111.51(8) . . ?
C18 Si5 Si2 114.33(8) . . ?
C19 Si5 Si2 109.19(8) . . ?
C2 C1 C5 106.77(17) . . ?
C2 C1 C6 126.1(2) . . ?
C5 C1 C6 125.1(2) . . ?
C2 C1 Si1 90.49(12) . . ?
C5 C1 Si1 70.39(11) . . ?
C6 C1 Si1 117.95(14) . . ?
C3 C2 C1 108.83(18) . . ?
C3 C2 C7 125.9(2) . . ?
C1 C2 C7 125.2(2) . . ?
C2 C3 C4 108.76(17) . . ?
C2 C3 C8 125.2(2) . . ?
C4 C3 C8 125.4(2) . . ?
C3 C4 C5 109.27(18) . . ?
C3 C4 C9 125.1(2) . . ?
C5 C4 C9 125.6(2) . . ?
C4 C5 C1 106.32(17) . . ?
C4 C5 C10 125.4(2) . . ?
C1 C5 C10 126.6(2) . . ?
C4 C5 Si1 89.66(12) . . ?
C1 C5 Si1 69.49(11) . . ?
C10 C5 Si1 118.47(14) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si3 C11 H11A 109.5 . . ?
Si3 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si3 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si3 C12 H12A 109.5 . . ?
Si3 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si3 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si3 C13 H13A 109.5 . . ?
Si3 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si3 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si4 C14 H14A 109.5 . . ?
Si4 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si4 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si4 C15 H15A 109.5 . . ?
Si4 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si4 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si4 C16 H16A 109.5 . . ?
Si4 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si4 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si5 C17 H17A 109.5 . . ?
Si5 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si5 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si5 C18 H18A 109.5 . . ?
Si5 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si5 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si5 C19 H19A 109.5 . . ?
Si5 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si5 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?

_refine_diff_density_max         0.695
_refine_diff_density_min         -0.300
_refine_diff_density_rms         0.064


_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# 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_sh4047
_database_code_depnum_ccdc_archive 'CCDC 2002464'
loop_
_audit_author_name
_audit_author_address
'Volker Huch'
;Uni des Saarlandes
Germany
;
_audit_update_record             
;
2020-05-07 deposited with the CCDC.	2020-08-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C21 H46 Si5'
_chemical_formula_sum            'C21 H46 Si5'
_chemical_formula_weight         439.03

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_H-M_alt        'P 21/m'
_space_group_name_Hall           '-P 2yb'

_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+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'

_cell_length_a                   9.5450(4)
_cell_length_b                   14.1726(6)
_cell_length_c                   10.4229(4)
_cell_angle_alpha                90
_cell_angle_beta                 103.274(2)
_cell_angle_gamma                90
_cell_volume                     1372.31(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    142(2)
_cell_measurement_reflns_used    9956
_cell_measurement_theta_min      2.47
_cell_measurement_theta_max      34.14

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.062
_exptl_crystal_F_000             484
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.449
_exptl_crystal_size_mid          0.341
_exptl_crystal_size_min          0.210
_exptl_absorpt_coefficient_mu    0.265
_shelx_estimated_absorpt_T_min   0.890
_shelx_estimated_absorpt_T_max   0.946
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7229
_exptl_absorpt_correction_T_max  0.7467
_exptl_absorpt_process_details   
; 
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., 
 J. Appl. Cryst. 48 (2015) 3-10 
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      142(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            22047
_diffrn_reflns_av_unetI/netI     0.0198
_diffrn_reflns_av_R_equivalents  0.0205
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.008
_diffrn_reflns_theta_max         34.279
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             5843
_reflns_number_gt                4978
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0407P)²+0.1850P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    refall
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5843
_refine_ls_number_parameters     221
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0349
_refine_ls_R_factor_gt           0.0269
_refine_ls_wR_factor_ref         0.0790
_refine_ls_wR_factor_gt          0.0744
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.88809(3) 0.2500 0.43743(3) 0.01787(6) Uani 1 2 d S T P . .
Si2 Si 0.74980(3) 0.2500 0.21969(3) 0.01470(6) Uani 1 2 d S T P . .
Si3 Si 0.49801(3) 0.2500 0.19320(3) 0.02033(6) Uani 1 2 d S T P . .
Si4 Si 0.81777(2) 0.11274(2) 0.12192(2) 0.02058(5) Uani 1 1 d . . . . .
C1 C 1.06953(10) 0.19577(11) 0.45991(10) 0.0498(3) Uani 1 1 d . . . . .
C2 C 0.81917(10) 0.2500 0.59575(9) 0.01725(16) Uani 1 2 d S T P . .
C3 C 0.72233(8) 0.16670(5) 0.60109(7) 0.02108(13) Uani 1 1 d . . . . .
C4 C 0.59167(8) 0.19830(6) 0.61119(7) 0.02447(15) Uani 1 1 d . . . . .
C5 C 0.94721(12) 0.2500 0.71728(11) 0.0261(2) Uani 1 2 d S T P . .
C6 C 0.77379(12) 0.06706(7) 0.60379(11) 0.03415(19) Uani 1 1 d . . . . .
C7 C 0.46346(11) 0.14106(10) 0.62455(10) 0.0396(2) Uani 1 1 d . . . . .
C8 C 0.44160(10) 0.14138(8) 0.26960(10) 0.03390(19) Uani 1 1 d . . . . .
C9 C 0.40057(15) 0.2500 0.01484(13) 0.0376(3) Uani 1 2 d S T P . .
C10 C 0.69334(12) 0.09018(9) -0.04185(10) 0.0397(2) Uani 1 1 d . . . . .
C11 C 1.00502(10) 0.12183(8) 0.09431(11) 0.03308(19) Uani 1 1 d . . . . .
C12 C 0.80973(13) 0.00818(7) 0.22947(12) 0.0388(2) Uani 1 1 d . . . . .
H1 H 1.0963(16) 0.1671(11) 0.3864(16) 0.064(4) Uiso 1 1 d . . . . .
H2 H 1.1113(15) 0.1690(10) 0.5403(14) 0.051(4) Uiso 1 1 d . . . . .
H3 H 0.9116(17) 0.2500 0.7985(16) 0.028(4) Uiso 1 2 d S . P . .
H4 H 1.0079(13) 0.1943(8) 0.7196(11) 0.034(3) Uiso 1 1 d . . . . .
H5 H 0.3831(15) 0.1532(10) 0.5543(14) 0.049(4) Uiso 1 1 d . . . . .
H6 H 0.4847(17) 0.0753(12) 0.6206(15) 0.062(4) Uiso 1 1 d . . . . .
H7 H 0.4401(15) 0.1527(10) 0.7080(15) 0.054(4) Uiso 1 1 d . . . . .
H8 H 0.8118(19) 0.0545(12) 0.5383(16) 0.076(5) Uiso 1 1 d . . . . .
H9 H 0.7000(19) 0.0212(13) 0.6061(17) 0.082(5) Uiso 1 1 d . . . . .
H10 H 0.8427(19) 0.0547(12) 0.6806(17) 0.075(5) Uiso 1 1 d . . . . .
H11 H 0.4599(16) 0.0870(11) 0.2177(15) 0.062(4) Uiso 1 1 d . . . . .
H12 H 0.4945(15) 0.1345(10) 0.3584(14) 0.048(4) Uiso 1 1 d . . . . .
H13 H 0.3469(18) 0.1447(12) 0.2695(16) 0.070(5) Uiso 1 1 d . . . . .
H14 H 0.4209(19) 0.2010(12) -0.0284(17) 0.082(6) Uiso 1 1 d . . . . .
H15 H 0.304(2) 0.2500 0.012(2) 0.055(6) Uiso 1 2 d S . P . .
H16 H 0.6012(17) 0.0776(11) -0.0307(14) 0.056(4) Uiso 1 1 d . . . . .
H17 H 0.7278(18) 0.0353(12) -0.0826(16) 0.074(5) Uiso 1 1 d . . . . .
H18 H 0.6846(16) 0.1414(12) -0.0990(15) 0.057(4) Uiso 1 1 d . . . . .
H19 H 1.0701(17) 0.1441(11) 0.1639(16) 0.060(4) Uiso 1 1 d . . . . .
H20 H 1.0065(18) 0.1565(13) 0.0218(17) 0.073(5) Uiso 1 1 d . . . . .
H21 H 1.035(2) 0.0659(15) 0.0756(18) 0.094(6) Uiso 1 1 d . . . . .
H22 H 0.8302(17) -0.0449(12) 0.1845(15) 0.063(4) Uiso 1 1 d . . . . .
H23 H 0.8775(15) 0.0154(11) 0.3117(14) 0.053(4) Uiso 1 1 d . . . . .
H24 H 0.7201(17) 0.0000(11) 0.2433(16) 0.063(4) Uiso 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
Si1 C1 1.8598(9) . ?
Si1 C1 1.8598(9) 4_565 ?
Si1 C2 1.9117(10) . ?
Si1 Si2 2.3488(4) . ?
Si2 Si4 2.3553(3) 4_565 ?
Si2 Si4 2.3553(3) . ?
Si2 Si3 2.3554(4) . ?
Si3 C8 1.8684(10) 4_565 ?
Si3 C8 1.8684(10) . ?
Si3 C9 1.8781(13) . ?
Si4 C10 1.8696(10) . ?
Si4 C12 1.8702(10) . ?
Si4 C11 1.8788(9) . ?
C1 C1 1.537(3) 4_565 ?
C1 H1 0.953(16) . ?
C1 H2 0.923(14) . ?
C2 C3 1.5083(9) . ?
C2 C3 1.5083(9) 4_565 ?
C2 C5 1.5451(14) . ?
C3 C4 1.3518(11) . ?
C3 C6 1.4933(12) . ?
C4 C4 1.4655(18) 4_565 ?
C4 C7 1.5011(12) . ?
C5 H3 0.982(16) . ?
C5 H4 0.976(11) . ?
C6 H8 0.861(18) . ?
C6 H9 0.963(19) . ?
C6 H10 0.928(17) . ?
C7 H5 0.947(14) . ?
C7 H6 0.957(16) . ?
C7 H7 0.960(15) . ?
C8 H11 0.980(16) . ?
C8 H12 0.952(14) . ?
C8 H13 0.905(16) . ?
C9 H14 0.874(17) . ?
C9 H15 0.91(2) . ?
C10 H16 0.930(15) . ?
C10 H17 0.978(17) . ?
C10 H18 0.931(16) . ?
C11 H19 0.897(16) . ?
C11 H20 0.905(18) . ?
C11 H21 0.88(2) . ?
C12 H22 0.931(16) . ?
C12 H23 0.953(14) . ?
C12 H24 0.907(16) . ?

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
C1 Si1 C1 48.82(10) . 4_565 ?
C1 Si1 C2 112.72(4) . . ?
C1 Si1 C2 112.72(4) 4_565 . ?
C1 Si1 Si2 114.98(3) . . ?
C1 Si1 Si2 114.97(3) 4_565 . ?
C2 Si1 Si2 127.28(3) . . ?
Si1 Si2 Si4 105.578(10) . 4_565 ?
Si1 Si2 Si4 105.578(10) . . ?
Si4 Si2 Si4 111.368(14) 4_565 . ?
Si1 Si2 Si3 116.436(14) . . ?
Si4 Si2 Si3 108.923(10) 4_565 . ?
Si4 Si2 Si3 108.923(10) . . ?
C8 Si3 C8 110.96(7) 4_565 . ?
C8 Si3 C9 107.23(4) 4_565 . ?
C8 Si3 C9 107.23(4) . . ?
C8 Si3 Si2 109.65(3) 4_565 . ?
C8 Si3 Si2 109.64(3) . . ?
C9 Si3 Si2 112.09(5) . . ?
C10 Si4 C12 107.87(6) . . ?
C10 Si4 C11 107.41(5) . . ?
C12 Si4 C11 108.51(5) . . ?
C10 Si4 Si2 110.85(4) . . ?
C12 Si4 Si2 109.98(4) . . ?
C11 Si4 Si2 112.08(3) . . ?
C1 C1 Si1 65.59(5) 4_565 . ?
C1 C1 H1 115.2(10) 4_565 . ?
Si1 C1 H1 119.3(9) . . ?
C1 C1 H2 114.3(9) 4_565 . ?
Si1 C1 H2 118.7(9) . . ?
H1 C1 H2 114.5(13) . . ?
C3 C2 C3 103.02(8) . 4_565 ?
C3 C2 C5 110.23(6) . . ?
C3 C2 C5 110.23(6) 4_565 . ?
C3 C2 Si1 111.54(5) . . ?
C3 C2 Si1 111.54(5) 4_565 . ?
C5 C2 Si1 110.09(7) . . ?
C4 C3 C6 128.12(8) . . ?
C4 C3 C2 109.13(7) . . ?
C6 C3 C2 122.63(7) . . ?
C3 C4 C4 109.35(5) . 4_565 ?
C3 C4 C7 127.92(9) . . ?
C4 C4 C7 122.71(6) 4_565 . ?
C2 C5 H3 110.0(9) . . ?
C2 C5 H4 112.0(7) . . ?
H3 C5 H4 107.4(8) . . ?
C3 C6 H8 112.2(12) . . ?
C3 C6 H9 113.6(10) . . ?
H8 C6 H9 108.8(15) . . ?
C3 C6 H10 111.0(11) . . ?
H8 C6 H10 107.5(15) . . ?
H9 C6 H10 103.2(14) . . ?
C4 C7 H5 111.3(8) . . ?
C4 C7 H6 109.7(9) . . ?
H5 C7 H6 106.6(12) . . ?
C4 C7 H7 110.8(9) . . ?
H5 C7 H7 110.7(12) . . ?
H6 C7 H7 107.6(12) . . ?
Si3 C8 H11 107.9(9) . . ?
Si3 C8 H12 111.0(8) . . ?
H11 C8 H12 109.6(12) . . ?
Si3 C8 H13 110.0(11) . . ?
H11 C8 H13 110.1(13) . . ?
H12 C8 H13 108.3(13) . . ?
Si3 C9 H14 113.1(12) . . ?
Si3 C9 H15 107.5(13) . . ?
H14 C9 H15 108.9(13) . . ?
Si4 C10 H16 109.8(9) . . ?
Si4 C10 H17 109.0(10) . . ?
H16 C10 H17 108.8(13) . . ?
Si4 C10 H18 113.3(9) . . ?
H16 C10 H18 106.3(12) . . ?
H17 C10 H18 109.4(13) . . ?
Si4 C11 H19 114.0(10) . . ?
Si4 C11 H20 111.3(11) . . ?
H19 C11 H20 110.2(14) . . ?
Si4 C11 H21 109.7(13) . . ?
H19 C11 H21 107.3(15) . . ?
H20 C11 H21 103.8(15) . . ?
Si4 C12 H22 107.2(9) . . ?
Si4 C12 H23 109.9(9) . . ?
H22 C12 H23 111.2(12) . . ?
Si4 C12 H24 111.5(10) . . ?
H22 C12 H24 107.0(13) . . ?
H23 C12 H24 109.9(13) . . ?

_refine_diff_density_max         0.453
_refine_diff_density_min         -0.253
_refine_diff_density_rms         0.044

_shelxl_version_number           2014/6


_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# 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_sh3854
_database_code_depnum_ccdc_archive 'CCDC 2002463'
loop_
_audit_author_name
_audit_author_address
'Volker Huch'
;Uni des Saarlandes
Germany
;
_audit_update_record             
;
2020-05-07 deposited with the CCDC.	2020-08-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C26 H54 N2 Si5'
_chemical_formula_sum            'C26 H54 N2 Si5'
_chemical_formula_weight         535.16

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   40.367(13)
_cell_length_b                   9.976(3)
_cell_length_c                   16.657(5)
_cell_angle_alpha                90
_cell_angle_beta                 99.403(19)
_cell_angle_gamma                90
_cell_volume                     6618(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    142(2)
_cell_measurement_reflns_used    8772
_cell_measurement_theta_min      2.40
_cell_measurement_theta_max      32.48

_exptl_crystal_description       coboid
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.074
_exptl_crystal_F_000             2352
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.463
_exptl_crystal_size_mid          0.294
_exptl_crystal_size_min          0.104
_exptl_absorpt_coefficient_mu    0.232
_shelx_estimated_absorpt_T_min   0.900
_shelx_estimated_absorpt_T_max   0.976
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6931
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_process_details   
; 
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., 
 J. Appl. Cryst. 48 (2015) 3-10 
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      142(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            91027
_diffrn_reflns_av_unetI/netI     0.0302
_diffrn_reflns_av_R_equivalents  0.0481
_diffrn_reflns_limit_h_min       -62
_diffrn_reflns_limit_h_max       59
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.045
_diffrn_reflns_theta_max         33.367
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             12649
_reflns_number_gt                9781
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0450P)²+2.0260P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    refall
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12649
_refine_ls_number_parameters     514
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0505
_refine_ls_R_factor_gt           0.0329
_refine_ls_wR_factor_ref         0.0920
_refine_ls_wR_factor_gt          0.0829
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_restrained_S_all      1.018
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 0.15273(2) 0.78998(2) 0.17427(2) 0.01822(5) Uani 1 1 d . . . . .
Si2 Si 0.09385(2) 0.73673(3) 0.13649(2) 0.01898(5) Uani 1 1 d . . . . .
Si3 Si 0.06686(2) 0.92016(3) 0.18914(2) 0.02669(6) Uani 1 1 d . . . . .
Si4 Si 0.05858(2) 0.54793(3) 0.14380(2) 0.02845(7) Uani 1 1 d . . . . .
Si5 Si 0.08666(2) 0.78695(3) -0.00382(2) 0.02634(6) Uani 1 1 d . . . . .
N1 N 0.14923(2) 0.77558(8) 0.35637(5) 0.02117(14) Uani 1 1 d . . . . .
N2 N 0.17772(2) 0.94155(8) 0.32239(5) 0.02220(15) Uani 1 1 d . . . . .
C1 C 0.18541(2) 0.63180(9) 0.18602(5) 0.02030(16) Uani 1 1 d . . . . .
C2 C 0.21727(2) 0.69936(10) 0.22359(6) 0.02283(17) Uani 1 1 d . . . . .
C3 C 0.22568(2) 0.65782(10) 0.30189(6) 0.02424(18) Uani 1 1 d . . . . .
C4 C 0.20221(2) 0.55384(10) 0.31796(6) 0.02327(17) Uani 1 1 d . . . . .
C5 C 0.17937(2) 0.53320(9) 0.24897(6) 0.02177(17) Uani 1 1 d . . . . .
C6 C 0.18525(3) 0.57344(12) 0.10113(6) 0.0309(2) Uani 1 1 d . . . . .
C7 C 0.23592(3) 0.79342(12) 0.17749(8) 0.0332(2) Uani 1 1 d . . . . .
C8 C 0.25418(3) 0.70709(15) 0.36446(8) 0.0400(3) Uani 1 1 d . . . . .
C9 C 0.20413(3) 0.48624(14) 0.39906(7) 0.0342(2) Uani 1 1 d . . . . .
C10 C 0.15350(3) 0.42503(11) 0.23247(8) 0.0320(2) Uani 1 1 d . . . . .
C11 C 0.15867(2) 0.83529(9) 0.29068(5) 0.01931(15) Uani 1 1 d . . . . .
C12 C 0.16287(3) 0.84088(10) 0.42802(6) 0.02566(18) Uani 1 1 d . . . . .
C13 C 0.18063(3) 0.94617(10) 0.40652(6) 0.02650(19) Uani 1 1 d . . . . .
C14 C 0.12710(3) 0.66004(11) 0.35413(7) 0.02703(19) Uani 1 1 d . . . . .
C15 C 0.15796(4) 0.79165(13) 0.50976(7) 0.0374(3) Uani 1 1 d . . . . .
C16 C 0.20003(4) 1.05280(14) 0.45703(8) 0.0424(3) Uani 1 1 d . . . . .
C17 C 0.19372(3) 1.03905(12) 0.27608(7) 0.0337(2) Uani 1 1 d . . . . .
C18 C 0.09535(4) 1.06895(13) 0.21475(11) 0.0452(3) Uani 1 1 d . . . . .
C19 C 0.05105(4) 0.87139(16) 0.28472(8) 0.0415(3) Uani 1 1 d . . . . .
C20 C 0.02923(3) 0.98239(16) 0.11667(9) 0.0422(3) Uani 1 1 d . . . . .
C21 C 0.06798(4) 0.41245(14) 0.07210(10) 0.0460(3) Uani 1 1 d . . . . .
C22 C 0.01346(3) 0.59816(15) 0.11196(10) 0.0428(3) Uani 1 1 d . . . . .
C23 C 0.06036(4) 0.46899(15) 0.24703(9) 0.0430(3) Uani 1 1 d . . . . .
C24 C 0.09685(4) 0.96828(16) -0.01722(9) 0.0479(3) Uani 1 1 d . . . . .
C25 C 0.11666(4) 0.6894(2) -0.05568(8) 0.0530(4) Uani 1 1 d . . . . .
C26 C 0.04369(3) 0.75411(15) -0.06339(8) 0.0400(3) Uani 1 1 d . . . . .
H1 H 0.1897(4) 0.6425(15) 0.0616(9) 0.044(4) Uiso 1 1 d . . . . .
H2 H 0.1638(4) 0.5299(15) 0.0785(9) 0.042(4) Uiso 1 1 d . . . . .
H3 H 0.2025(4) 0.5025(15) 0.1028(9) 0.041(4) Uiso 1 1 d . . . . .
H4 H 0.2216(4) 0.8624(15) 0.1511(9) 0.046(4) Uiso 1 1 d . . . . .
H5 H 0.2448(4) 0.7429(16) 0.1342(11) 0.054(5) Uiso 1 1 d . . . . .
H6 H 0.2545(4) 0.8355(16) 0.2092(9) 0.051(4) Uiso 1 1 d . . . . .
H7 H 0.2676(5) 0.7717(18) 0.3421(11) 0.064(5) Uiso 1 1 d . . . . .
H8 H 0.2680(5) 0.6314(19) 0.3891(11) 0.068(5) Uiso 1 1 d . . . . .
H9 H 0.2458(4) 0.7450(18) 0.4086(11) 0.062(5) Uiso 1 1 d . . . . .
H10 H 0.2016(4) 0.5474(17) 0.4409(11) 0.056(5) Uiso 1 1 d . . . . .
H11 H 0.1876(4) 0.4194(16) 0.4002(10) 0.051(4) Uiso 1 1 d . . . . .
H12 H 0.2252(4) 0.4416(14) 0.4175(9) 0.041(4) Uiso 1 1 d . . . . .
H13 H 0.1324(4) 0.4590(15) 0.2045(9) 0.044(4) Uiso 1 1 d . . . . .
H14 H 0.1602(4) 0.3544(16) 0.1963(9) 0.048(4) Uiso 1 1 d . . . . .
H15 H 0.1489(4) 0.3800(16) 0.2809(10) 0.052(4) Uiso 1 1 d . . . . .
H16 H 0.1081(4) 0.6810(15) 0.3796(9) 0.043(4) Uiso 1 1 d . . . . .
H17 H 0.1385(4) 0.5856(15) 0.3821(9) 0.043(4) Uiso 1 1 d . . . . .
H18 H 0.1186(4) 0.6387(15) 0.2996(9) 0.041(4) Uiso 1 1 d . . . . .
H19 H 0.1348(4) 0.7777(15) 0.5100(9) 0.044(4) Uiso 1 1 d . . . . .
H20 H 0.1651(4) 0.8592(16) 0.5496(10) 0.049(4) Uiso 1 1 d . . . . .
H21 H 0.1704(4) 0.7105(17) 0.5239(10) 0.055(5) Uiso 1 1 d . . . . .
H22 H 0.2233(5) 1.0463(18) 0.4573(11) 0.067(5) Uiso 1 1 d . . . . .
H23 H 0.1955(4) 1.0472(18) 0.5121(12) 0.064(5) Uiso 1 1 d . . . . .
H24 H 0.1932(4) 1.1396(19) 0.4350(11) 0.062(5) Uiso 1 1 d . . . . .
H25 H 0.2181(4) 1.0306(15) 0.2905(9) 0.046(4) Uiso 1 1 d . . . . .
H26 H 0.1868(4) 1.1291(16) 0.2904(9) 0.050(4) Uiso 1 1 d . . . . .
H27 H 0.1860(4) 1.0213(15) 0.2173(9) 0.045(4) Uiso 1 1 d . . . . .
H28 H 0.0817(5) 1.145(2) 0.2271(12) 0.079(6) Uiso 1 1 d . . . . .
H29 H 0.1059(5) 1.0933(19) 0.1743(12) 0.068(6) Uiso 1 1 d . . . . .
H30 H 0.1121(5) 1.0507(17) 0.2602(11) 0.062(5) Uiso 1 1 d . . . . .
H31 H 0.0393(4) 0.9461(18) 0.3039(10) 0.060(5) Uiso 1 1 d . . . . .
H32 H 0.0682(5) 0.8457(19) 0.3277(11) 0.066(5) Uiso 1 1 d . . . . .
H33 H 0.0364(5) 0.798(2) 0.2752(12) 0.072(6) Uiso 1 1 d . . . . .
H34 H 0.0193(4) 1.0502(19) 0.1431(11) 0.065(5) Uiso 1 1 d . . . . .
H35 H 0.0356(5) 1.0204(18) 0.0723(11) 0.063(5) Uiso 1 1 d . . . . .
H36 H 0.0126(5) 0.9169(18) 0.1024(11) 0.064(5) Uiso 1 1 d . . . . .
H37 H 0.0903(5) 0.3771(18) 0.0865(11) 0.066(5) Uiso 1 1 d . . . . .
H38 H 0.0643(5) 0.445(2) 0.0182(13) 0.077(6) Uiso 1 1 d . . . . .
H39 H 0.0533(5) 0.3409(19) 0.0723(11) 0.064(5) Uiso 1 1 d . . . . .
H40 H 0.0082(5) 0.640(2) 0.0595(13) 0.079(6) Uiso 1 1 d . . . . .
H41 H 0.0068(4) 0.6594(18) 0.1470(11) 0.058(5) Uiso 1 1 d . . . . .
H42 H 0.0014(5) 0.521(2) 0.1161(13) 0.084(6) Uiso 1 1 d . . . . .
H43 H 0.0814(5) 0.4305(17) 0.2682(11) 0.063(5) Uiso 1 1 d . . . . .
H44 H 0.0544(4) 0.5345(18) 0.2858(11) 0.060(5) Uiso 1 1 d . . . . .
H45 H 0.0442(5) 0.402(2) 0.2416(11) 0.073(6) Uiso 1 1 d . . . . .
H46 H 0.1159(6) 0.995(2) 0.0193(15) 0.099(7) Uiso 1 1 d . . . . .
H47 H 0.0784(5) 1.024(2) -0.0072(12) 0.079(6) Uiso 1 1 d . . . . .
H48 H 0.1000(5) 0.987(2) -0.0694(13) 0.082(6) Uiso 1 1 d . . . . .
H49 H 0.1401(5) 0.7074(17) -0.0298(11) 0.063(5) Uiso 1 1 d . . . . .
H50 H 0.1135(5) 0.7123(19) -0.1122(13) 0.073(6) Uiso 1 1 d . . . . .
H51 H 0.1116(4) 0.5972(19) -0.0492(11) 0.060(5) Uiso 1 1 d . . . . .
H52 H 0.0434(4) 0.7824(18) -0.1199(12) 0.066(5) Uiso 1 1 d . . . . .
H53 H 0.0395(4) 0.6600(17) -0.0633(9) 0.047(4) Uiso 1 1 d . . . . .
H54 H 0.0269(4) 0.8005(17) -0.0438(11) 0.059(5) Uiso 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
Si1 C11 1.9673(11) . ?
Si1 C1 2.0455(10) . ?
Si1 Si2 2.4163(8) . ?
Si2 Si5 2.3613(8) . ?
Si2 Si3 2.3701(6) . ?
Si2 Si4 2.3762(7) . ?
Si3 C19 1.8737(15) . ?
Si3 C18 1.8834(14) . ?
Si3 C20 1.8846(14) . ?
Si4 C22 1.8802(14) . ?
Si4 C23 1.8818(15) . ?
Si4 C21 1.8829(15) . ?
Si5 C25 1.8710(15) . ?
Si5 C24 1.8766(16) . ?
Si5 C26 1.8810(13) . ?
N1 C11 1.3541(12) . ?
N1 C12 1.3919(13) . ?
N1 C14 1.4549(13) . ?
N2 C11 1.3643(12) . ?
N2 C13 1.3877(13) . ?
N2 C17 1.4564(14) . ?
C1 C5 1.4865(13) . ?
C1 C2 1.4957(13) . ?
C1 C6 1.5283(14) . ?
C2 C3 1.3576(14) . ?
C2 C7 1.4920(15) . ?
C3 C4 1.4589(15) . ?
C3 C8 1.5035(15) . ?
C4 C5 1.3662(14) . ?
C4 C9 1.5004(14) . ?
C5 C10 1.4958(15) . ?
C6 H1 0.990(15) . ?
C6 H2 0.988(15) . ?
C6 H3 0.991(15) . ?
C7 H4 0.959(16) . ?
C7 H5 0.995(18) . ?
C7 H6 0.942(16) . ?
C8 H7 0.955(19) . ?
C8 H8 0.989(19) . ?
C8 H9 0.938(19) . ?
C9 H10 0.944(18) . ?
C9 H11 0.947(17) . ?
C9 H12 0.963(15) . ?
C10 H13 0.962(15) . ?
C10 H14 0.993(16) . ?
C10 H15 0.967(17) . ?
C12 C13 1.3526(16) . ?
C12 C15 1.4907(15) . ?
C13 C16 1.4958(16) . ?
C14 H16 0.956(15) . ?
C14 H17 0.954(15) . ?
C14 H18 0.941(14) . ?
C15 H19 0.946(16) . ?
C15 H20 0.957(16) . ?
C15 H21 0.961(17) . ?
C16 H22 0.94(2) . ?
C16 H23 0.966(19) . ?
C16 H24 0.963(18) . ?
C17 H25 0.978(16) . ?
C17 H26 0.982(16) . ?
C17 H27 0.994(15) . ?
C18 H28 0.98(2) . ?
C18 H29 0.89(2) . ?
C18 H30 0.947(19) . ?
C19 H31 0.966(18) . ?
C19 H32 0.947(19) . ?
C19 H33 0.94(2) . ?
C20 H34 0.932(19) . ?
C20 H35 0.905(19) . ?
C20 H36 0.939(19) . ?
C21 H37 0.962(19) . ?
C21 H38 0.94(2) . ?
C21 H39 0.928(19) . ?
C22 H40 0.96(2) . ?
C22 H41 0.915(19) . ?
C22 H42 0.92(2) . ?
C23 H43 0.946(19) . ?
C23 H44 0.976(19) . ?
C23 H45 0.93(2) . ?
C24 H46 0.94(2) . ?
C24 H47 0.97(2) . ?
C24 H48 0.92(2) . ?
C25 H49 0.992(18) . ?
C25 H50 0.96(2) . ?
C25 H51 0.952(18) . ?
C26 H52 0.981(19) . ?
C26 H53 0.954(17) . ?
C26 H54 0.923(18) . ?

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
C11 Si1 C1 96.32(4) . . ?
C11 Si1 Si2 105.27(3) . . ?
C1 Si1 Si2 116.53(3) . . ?
Si5 Si2 Si3 102.29(2) . . ?
Si5 Si2 Si4 103.953(19) . . ?
Si3 Si2 Si4 106.11(3) . . ?
Si5 Si2 Si1 99.65(2) . . ?
Si3 Si2 Si1 103.06(2) . . ?
Si4 Si2 Si1 137.144(16) . . ?
C19 Si3 C18 107.00(8) . . ?
C19 Si3 C20 106.19(7) . . ?
C18 Si3 C20 106.49(7) . . ?
C19 Si3 Si2 110.79(5) . . ?
C18 Si3 Si2 113.06(5) . . ?
C20 Si3 Si2 112.87(5) . . ?
C22 Si4 C23 105.06(7) . . ?
C22 Si4 C21 107.38(7) . . ?
C23 Si4 C21 107.31(8) . . ?
C22 Si4 Si2 109.59(5) . . ?
C23 Si4 Si2 116.41(5) . . ?
C21 Si4 Si2 110.61(6) . . ?
C25 Si5 C24 105.99(9) . . ?
C25 Si5 C26 106.05(7) . . ?
C24 Si5 C26 107.84(7) . . ?
C25 Si5 Si2 111.25(5) . . ?
C24 Si5 Si2 109.17(5) . . ?
C26 Si5 Si2 116.03(5) . . ?
C11 N1 C12 111.27(8) . . ?
C11 N1 C14 125.48(8) . . ?
C12 N1 C14 123.24(8) . . ?
C11 N2 C13 111.47(8) . . ?
C11 N2 C17 125.78(8) . . ?
C13 N2 C17 122.74(8) . . ?
C5 C1 C2 103.41(8) . . ?
C5 C1 C6 115.10(9) . . ?
C2 C1 C6 115.59(8) . . ?
C5 C1 Si1 113.61(6) . . ?
C2 C1 Si1 100.91(6) . . ?
C6 C1 Si1 107.47(6) . . ?
C3 C2 C7 128.19(9) . . ?
C3 C2 C1 109.10(8) . . ?
C7 C2 C1 122.68(9) . . ?
C2 C3 C4 108.99(8) . . ?
C2 C3 C8 127.52(10) . . ?
C4 C3 C8 123.49(10) . . ?
C5 C4 C3 108.78(8) . . ?
C5 C4 C9 128.19(10) . . ?
C3 C4 C9 123.03(9) . . ?
C4 C5 C1 109.13(8) . . ?
C4 C5 C10 128.19(9) . . ?
C1 C5 C10 122.53(9) . . ?
C1 C6 H1 112.1(9) . . ?
C1 C6 H2 113.0(9) . . ?
H1 C6 H2 107.3(12) . . ?
C1 C6 H3 110.4(8) . . ?
H1 C6 H3 108.2(12) . . ?
H2 C6 H3 105.6(12) . . ?
C2 C7 H4 111.6(9) . . ?
C2 C7 H5 109.1(10) . . ?
H4 C7 H5 107.1(13) . . ?
C2 C7 H6 114.4(10) . . ?
H4 C7 H6 107.7(13) . . ?
H5 C7 H6 106.5(13) . . ?
C3 C8 H7 111.6(11) . . ?
C3 C8 H8 110.8(11) . . ?
H7 C8 H8 111.1(14) . . ?
C3 C8 H9 110.0(11) . . ?
H7 C8 H9 109.4(15) . . ?
H8 C8 H9 103.6(14) . . ?
C4 C9 H10 112.2(10) . . ?
C4 C9 H11 113.7(10) . . ?
H10 C9 H11 106.3(14) . . ?
C4 C9 H12 114.1(9) . . ?
H10 C9 H12 105.0(13) . . ?
H11 C9 H12 104.9(13) . . ?
C5 C10 H13 111.8(9) . . ?
C5 C10 H14 111.8(9) . . ?
H13 C10 H14 105.3(12) . . ?
C5 C10 H15 113.9(9) . . ?
H13 C10 H15 107.0(13) . . ?
H14 C10 H15 106.5(13) . . ?
N1 C11 N2 104.15(8) . . ?
N1 C11 Si1 133.66(7) . . ?
N2 C11 Si1 122.02(7) . . ?
C13 C12 N1 106.80(8) . . ?
C13 C12 C15 130.77(10) . . ?
N1 C12 C15 122.40(10) . . ?
C12 C13 N2 106.29(8) . . ?
C12 C13 C16 130.89(10) . . ?
N2 C13 C16 122.81(10) . . ?
N1 C14 H16 110.4(9) . . ?
N1 C14 H17 111.1(9) . . ?
H16 C14 H17 108.1(13) . . ?
N1 C14 H18 109.3(9) . . ?
H16 C14 H18 106.5(12) . . ?
H17 C14 H18 111.5(12) . . ?
C12 C15 H19 109.4(9) . . ?
C12 C15 H20 109.3(10) . . ?
H19 C15 H20 106.7(13) . . ?
C12 C15 H21 111.1(10) . . ?
H19 C15 H21 110.5(13) . . ?
H20 C15 H21 109.8(13) . . ?
C13 C16 H22 112.6(11) . . ?
C13 C16 H23 109.3(11) . . ?
H22 C16 H23 109.5(15) . . ?
C13 C16 H24 109.5(10) . . ?
H22 C16 H24 106.7(15) . . ?
H23 C16 H24 109.1(15) . . ?
N2 C17 H25 109.2(9) . . ?
N2 C17 H26 108.3(9) . . ?
H25 C17 H26 109.5(12) . . ?
N2 C17 H27 108.0(9) . . ?
H25 C17 H27 111.5(13) . . ?
H26 C17 H27 110.3(12) . . ?
Si3 C18 H28 108.2(12) . . ?
Si3 C18 H29 113.3(12) . . ?
H28 C18 H29 107.7(16) . . ?
Si3 C18 H30 111.1(11) . . ?
H28 C18 H30 109.6(15) . . ?
H29 C18 H30 106.8(16) . . ?
Si3 C19 H31 109.6(10) . . ?
Si3 C19 H32 113.8(11) . . ?
H31 C19 H32 107.3(15) . . ?
Si3 C19 H33 110.5(12) . . ?
H31 C19 H33 109.1(15) . . ?
H32 C19 H33 106.3(16) . . ?
Si3 C20 H34 107.5(11) . . ?
Si3 C20 H35 110.7(11) . . ?
H34 C20 H35 106.5(16) . . ?
Si3 C20 H36 113.6(11) . . ?
H34 C20 H36 106.2(15) . . ?
H35 C20 H36 111.8(16) . . ?
Si4 C21 H37 112.5(11) . . ?
Si4 C21 H38 109.7(12) . . ?
H37 C21 H38 111.1(16) . . ?
Si4 C21 H39 110.8(11) . . ?
H37 C21 H39 106.9(15) . . ?
H38 C21 H39 105.5(15) . . ?
Si4 C22 H40 115.7(12) . . ?
Si4 C22 H41 111.7(11) . . ?
H40 C22 H41 104.4(16) . . ?
Si4 C22 H42 104.7(13) . . ?
H40 C22 H42 112.8(17) . . ?
H41 C22 H42 107.4(17) . . ?
Si4 C23 H43 114.1(11) . . ?
Si4 C23 H44 110.3(10) . . ?
H43 C23 H44 109.2(14) . . ?
Si4 C23 H45 107.0(12) . . ?
H43 C23 H45 108.3(15) . . ?
H44 C23 H45 107.7(15) . . ?
Si5 C24 H46 111.7(15) . . ?
Si5 C24 H47 110.3(12) . . ?
H46 C24 H47 107.2(19) . . ?
Si5 C24 H48 111.8(13) . . ?
H46 C24 H48 109.4(19) . . ?
H47 C24 H48 106.2(17) . . ?
Si5 C25 H49 110.5(10) . . ?
Si5 C25 H50 109.7(12) . . ?
H49 C25 H50 110.5(16) . . ?
Si5 C25 H51 106.5(11) . . ?
H49 C25 H51 109.4(15) . . ?
H50 C25 H51 110.2(15) . . ?
Si5 C26 H52 108.8(11) . . ?
Si5 C26 H53 108.6(9) . . ?
H52 C26 H53 108.1(14) . . ?
Si5 C26 H54 113.1(11) . . ?
H52 C26 H54 107.5(15) . . ?
H53 C26 H54 110.6(14) . . ?

_refine_diff_density_max         0.415
_refine_diff_density_min         -0.245
_refine_diff_density_rms         0.047


_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# 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_sh4217
_database_code_depnum_ccdc_archive 'CCDC 2002465'
loop_
_audit_author_name
_audit_author_address
'Volker Huch'
;Uni des Saarlandes
Germany
;
_audit_update_record             
;
2020-08-26 deposited with the CCDC.	2020-08-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C29 H62 N2 Si6'
_chemical_formula_weight         607.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.7576(4)
_cell_length_b                   34.3258(13)
_cell_length_c                   11.0315(4)
_cell_angle_alpha                90
_cell_angle_beta                 111.6700(10)
_cell_angle_gamma                90
_cell_volume                     3785.6(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    130(2)
_cell_measurement_reflns_used    9615
_cell_measurement_theta_min      2.36
_cell_measurement_theta_max      35.66

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.066
_exptl_crystal_F_000             1336
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.355
_exptl_crystal_size_mid          0.305
_exptl_crystal_size_min          0.206
_exptl_absorpt_coefficient_mu    0.240
_shelx_estimated_absorpt_T_min   0.920
_shelx_estimated_absorpt_T_max   0.952
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7070
_exptl_absorpt_correction_T_max  0.7470
_exptl_absorpt_process_details   
; 
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., 
 J. Appl. Cryst. 48 (2015) 3-10 
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      130(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            116263
_diffrn_reflns_av_unetI/netI     0.0304
_diffrn_reflns_av_R_equivalents  0.0413
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -56
_diffrn_reflns_limit_k_max       56
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.122
_diffrn_reflns_theta_max         35.694
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             17495
_reflns_number_gt                14530
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0277P)²+4.2996P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         17495
_refine_ls_number_parameters     582
_refine_ls_number_restraints     75
_refine_ls_R_factor_all          0.0864
_refine_ls_R_factor_gt           0.0736
_refine_ls_wR_factor_ref         0.1648
_refine_ls_wR_factor_gt          0.1595
_refine_ls_goodness_of_fit_ref   1.183
_refine_ls_restrained_S_all      1.184
_refine_ls_shift/su_max          0.036
_refine_ls_shift/su_mean         0.001

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
Si1A Si 0.3255(3) 0.62403(8) 0.5606(3) 0.0184(3) Uani 0.697(3) 1 d D . P A 1
Si2A Si 0.5512(2) 0.62268(8) 0.68674(17) 0.0159(3) Uani 0.697(3) 1 d D . P A 1
N1A N 0.2125(3) 0.66199(10) 0.5363(3) 0.0277(6) Uani 0.697(3) 1 d D . P A 1
N2A N 0.2085(5) 0.58884(15) 0.5650(8) 0.0274(8) Uani 0.697(3) 1 d D . P A 1
C1A C 0.4001(2) 0.61250(7) 0.4300(2) 0.0210(4) Uani 0.697(3) 1 d D . P A 1
C2A C 0.5417(2) 0.59852(7) 0.5243(2) 0.0202(4) Uani 0.697(3) 1 d D . P A 1
C3A C 0.6205(2) 0.63662(7) 0.5559(2) 0.0199(4) Uani 0.697(3) 1 d D . P A 1
C4A C 0.5471(2) 0.66507(7) 0.4515(2) 0.0208(4) Uani 0.697(3) 1 d D . P A 1
C5A C 0.4255(2) 0.65120(7) 0.3783(2) 0.0238(4) Uani 0.697(3) 1 d D . P A 1
C6A C 0.3220(3) 0.58338(10) 0.3243(3) 0.0349(6) Uani 0.697(3) 1 d D . P A 1
H6AA H 0.230703 0.593004 0.279057 0.052 Uiso 0.697(3) 1 calc R U P A 1
H6AB H 0.318822 0.558141 0.364636 0.052 Uiso 0.697(3) 1 calc R U P A 1
H6AC H 0.366317 0.580339 0.261650 0.052 Uiso 0.697(3) 1 calc R U P A 1
C7A C 0.6013(3) 0.56205(8) 0.4937(3) 0.0312(5) Uani 0.697(3) 1 d D . P A 1
H7AA H 0.547258 0.539564 0.498756 0.047 Uiso 0.697(3) 1 calc R U P A 1
H7AB H 0.692811 0.558880 0.556933 0.047 Uiso 0.697(3) 1 calc R U P A 1
H7AC H 0.602685 0.563887 0.405604 0.047 Uiso 0.697(3) 1 calc R U P A 1
C8A C 0.7712(2) 0.63399(9) 0.5954(3) 0.0277(5) Uani 0.697(3) 1 d D . P A 1
H8AA H 0.792762 0.627920 0.518536 0.042 Uiso 0.697(3) 1 calc R U P A 1
H8AB H 0.806219 0.613405 0.660702 0.042 Uiso 0.697(3) 1 calc R U P A 1
H8AC H 0.811924 0.658957 0.632285 0.042 Uiso 0.697(3) 1 calc R U P A 1
C9A C 0.6077(3) 0.70320(8) 0.4383(3) 0.0312(5) Uani 0.697(3) 1 d D . P A 1
H9AA H 0.684980 0.698626 0.413399 0.047 Uiso 0.697(3) 1 calc R U P A 1
H9AB H 0.636652 0.717085 0.521805 0.047 Uiso 0.697(3) 1 calc R U P A 1
H9AC H 0.541233 0.718914 0.371105 0.047 Uiso 0.697(3) 1 calc R U P A 1
C10A C 0.3182(3) 0.67074(10) 0.2679(3) 0.0331(6) Uani 0.697(3) 1 d D . P A 1
H10A H 0.304507 0.656641 0.186761 0.050 Uiso 0.697(3) 1 calc R U P A 1
H10B H 0.344714 0.697635 0.259944 0.050 Uiso 0.697(3) 1 calc R U P A 1
H10C H 0.234814 0.670760 0.284652 0.050 Uiso 0.697(3) 1 calc R U P A 1
C11A C 0.0826(5) 0.64510(16) 0.5004(5) 0.0343(9) Uani 0.697(3) 1 d D . P A 1
H11A H 0.003064 0.660229 0.469111 0.041 Uiso 0.697(3) 1 calc R U P A 1
C12A C 0.0811(6) 0.60703(18) 0.5138(11) 0.0340(12) Uani 0.697(3) 1 d D . P A 1
H12A H 0.000188 0.592668 0.490754 0.041 Uiso 0.697(3) 1 calc R U P A 1
C13A C 0.2280(4) 0.70265(11) 0.5848(3) 0.0309(6) Uani 0.697(3) 1 d D . P A 1
C14A C 0.1965(8) 0.7051(2) 0.7069(6) 0.0645(16) Uani 0.697(3) 1 d D . P A 1
H14A H 0.104303 0.696534 0.687694 0.097 Uiso 0.697(3) 1 calc R U P A 1
H14B H 0.206572 0.732140 0.737936 0.097 Uiso 0.697(3) 1 calc R U P A 1
H14C H 0.258070 0.688374 0.774392 0.097 Uiso 0.697(3) 1 calc R U P A 1
C15A C 0.1357(11) 0.7297(2) 0.4808(7) 0.077(3) Uani 0.697(3) 1 d D . P A 1
H15A H 0.146586 0.724945 0.397679 0.115 Uiso 0.697(3) 1 calc R U P A 1
H15B H 0.158374 0.756832 0.507216 0.115 Uiso 0.697(3) 1 calc R U P A 1
H15C H 0.042652 0.724660 0.470583 0.115 Uiso 0.697(3) 1 calc R U P A 1
C16A C 0.3712(6) 0.71621(17) 0.6163(7) 0.0544(15) Uani 0.697(3) 1 d D . P A 1
H16A H 0.432459 0.699316 0.683601 0.082 Uiso 0.697(3) 1 calc R U P A 1
H16B H 0.380715 0.743106 0.648254 0.082 Uiso 0.697(3) 1 calc R U P A 1
H16C H 0.392545 0.714937 0.537417 0.082 Uiso 0.697(3) 1 calc R U P A 1
C17A C 0.2167(7) 0.54748(19) 0.6060(6) 0.0354(11) Uani 0.697(3) 1 d D . P A 1
C18A C 0.1512(10) 0.5225(2) 0.4817(8) 0.057(2) Uani 0.697(3) 1 d D . P A 1
H18A H 0.059322 0.531458 0.434931 0.086 Uiso 0.697(3) 1 calc R U P A 1
H18B H 0.149996 0.495119 0.506406 0.086 Uiso 0.697(3) 1 calc R U P A 1
H18C H 0.202724 0.525129 0.425183 0.086 Uiso 0.697(3) 1 calc R U P A 1
C19A C 0.1451(9) 0.5422(2) 0.7010(8) 0.0444(13) Uani 0.697(3) 1 d D . P A 1
H19A H 0.050001 0.548401 0.656982 0.067 Uiso 0.697(3) 1 calc R U P A 1
H19B H 0.184608 0.559624 0.775770 0.067 Uiso 0.697(3) 1 calc R U P A 1
H19C H 0.154513 0.515122 0.731376 0.067 Uiso 0.697(3) 1 calc R U P A 1
C20A C 0.3643(8) 0.5367(4) 0.6687(12) 0.053(2) Uani 0.697(3) 1 d D . P A 1
H20A H 0.372621 0.509408 0.696558 0.079 Uiso 0.697(3) 1 calc R U P A 1
H20B H 0.407710 0.553448 0.744627 0.079 Uiso 0.697(3) 1 calc R U P A 1
H20C H 0.407396 0.540362 0.605276 0.079 Uiso 0.697(3) 1 calc R U P A 1
Si1B Si 0.3256(7) 0.6308(2) 0.5726(8) 0.0317(14) Uani 0.303(3) 1 d D . P A 2
Si2B Si 0.5518(7) 0.6255(3) 0.6912(6) 0.0390(17) Uani 0.303(3) 1 d D . P A 2
N1B N 0.2158(8) 0.6682(3) 0.5765(8) 0.039(2) Uani 0.303(3) 1 d D . P A 2
N2B N 0.2081(14) 0.5936(4) 0.550(2) 0.043(4) Uani 0.303(3) 1 d D . P A 2
C1B C 0.3967(5) 0.64146(19) 0.4341(5) 0.0288(12) Uani 0.303(3) 1 d D . P A 2
C2B C 0.5449(5) 0.65106(16) 0.5246(6) 0.0254(11) Uani 0.303(3) 1 d D . P A 2
C3B C 0.6060(5) 0.61084(17) 0.5465(5) 0.0238(10) Uani 0.303(3) 1 d D . P A 2
C4B C 0.5199(6) 0.58538(17) 0.4396(6) 0.0292(12) Uani 0.303(3) 1 d D . P A 2
C5B C 0.4031(6) 0.6029(2) 0.3712(7) 0.0333(13) Uani 0.303(3) 1 d D . P A 2
C6B C 0.3234(8) 0.6734(3) 0.3347(9) 0.047(2) Uani 0.303(3) 1 d D . P A 2
H6BA H 0.368533 0.677223 0.273003 0.070 Uiso 0.303(3) 1 calc R U P A 2
H6BB H 0.324427 0.697850 0.380927 0.070 Uiso 0.303(3) 1 calc R U P A 2
H6BC H 0.230588 0.665388 0.287054 0.070 Uiso 0.303(3) 1 calc R U P A 2
C7B C 0.6129(8) 0.6854(2) 0.4910(8) 0.0368(15) Uani 0.303(3) 1 d D . P A 2
H7BA H 0.594752 0.685320 0.397142 0.055 Uiso 0.303(3) 1 calc R U P A 2
H7BB H 0.709627 0.683666 0.539407 0.055 Uiso 0.303(3) 1 calc R U P A 2
H7BC H 0.578746 0.709544 0.514477 0.055 Uiso 0.303(3) 1 calc R U P A 2
C8B C 0.7571(6) 0.6081(3) 0.5803(7) 0.0363(15) Uani 0.303(3) 1 d D . P A 2
H8BA H 0.777426 0.614342 0.502950 0.054 Uiso 0.303(3) 1 calc R U P A 2
H8BB H 0.787578 0.581642 0.609597 0.054 Uiso 0.303(3) 1 calc R U P A 2
H8BC H 0.802911 0.626666 0.650118 0.054 Uiso 0.303(3) 1 calc R U P A 2
C9B C 0.5621(9) 0.5454(2) 0.4180(8) 0.0455(18) Uani 0.303(3) 1 d D . P A 2
H9BA H 0.486118 0.531672 0.354066 0.068 Uiso 0.303(3) 1 calc R U P A 2
H9BB H 0.592965 0.530978 0.500542 0.068 Uiso 0.303(3) 1 calc R U P A 2
H9BC H 0.635034 0.547157 0.385088 0.068 Uiso 0.303(3) 1 calc R U P A 2
C10B C 0.2866(8) 0.5884(3) 0.2587(8) 0.053(2) Uani 0.303(3) 1 d D . P A 2
H10D H 0.273398 0.604857 0.182437 0.079 Uiso 0.303(3) 1 calc R U P A 2
H10E H 0.206262 0.589160 0.280564 0.079 Uiso 0.303(3) 1 calc R U P A 2
H10F H 0.303510 0.561489 0.239001 0.079 Uiso 0.303(3) 1 calc R U P A 2
C11B C 0.0890(12) 0.6511(5) 0.5345(12) 0.049(4) Uani 0.303(3) 1 d D . P A 2
H11B H 0.010150 0.666364 0.512875 0.059 Uiso 0.303(3) 1 calc R U P A 2
C12B C 0.0842(14) 0.6137(5) 0.526(3) 0.062(7) Uani 0.303(3) 1 d D . P A 2
H12B H 0.002327 0.599907 0.505650 0.075 Uiso 0.303(3) 1 calc R U P A 2
C13B C 0.2359(11) 0.7079(3) 0.6318(9) 0.045(2) Uani 0.303(3) 1 d D . P A 2
C16B C 0.3806(14) 0.7188(4) 0.6712(14) 0.057(4) Uani 0.303(3) 1 d D . P A 2
H16D H 0.435783 0.700427 0.737227 0.086 Uiso 0.303(3) 1 calc R U P A 2
H16E H 0.394400 0.745210 0.707477 0.086 Uiso 0.303(3) 1 calc R U P A 2
H16F H 0.406238 0.717864 0.594738 0.086 Uiso 0.303(3) 1 calc R U P A 2
C14B C 0.1907(16) 0.7094(5) 0.7457(14) 0.062(4) Uani 0.303(3) 1 d D . P A 2
H14D H 0.093785 0.705323 0.714628 0.094 Uiso 0.303(3) 1 calc R U P A 2
H14E H 0.212919 0.734857 0.788241 0.094 Uiso 0.303(3) 1 calc R U P A 2
H14F H 0.236083 0.688878 0.808257 0.094 Uiso 0.303(3) 1 calc R U P A 2
C15B C 0.146(2) 0.7355(6) 0.5244(15) 0.082(8) Uani 0.303(3) 1 d D . P A 2
H15D H 0.169785 0.733321 0.446899 0.124 Uiso 0.303(3) 1 calc R U P A 2
H15E H 0.160087 0.762395 0.556470 0.124 Uiso 0.303(3) 1 calc R U P A 2
H15F H 0.052294 0.728303 0.501875 0.124 Uiso 0.303(3) 1 calc R U P A 2
C17B C 0.2103(14) 0.5538(4) 0.6025(16) 0.057(6) Uani 0.303(3) 1 d D . P A 2
C18B C 0.146(2) 0.5218(4) 0.4981(16) 0.049(5) Uani 0.303(3) 1 d D . P A 2
H18D H 0.050192 0.527396 0.453402 0.073 Uiso 0.303(3) 1 calc R U P A 2
H18E H 0.156524 0.496310 0.540708 0.073 Uiso 0.303(3) 1 calc R U P A 2
H18F H 0.189514 0.521602 0.434445 0.073 Uiso 0.303(3) 1 calc R U P A 2
C19B C 0.137(3) 0.5525(5) 0.698(2) 0.067(6) Uani 0.303(3) 1 d D . P A 2
H19D H 0.178652 0.571061 0.769329 0.100 Uiso 0.303(3) 1 calc R U P A 2
H19E H 0.142842 0.526183 0.734261 0.100 Uiso 0.303(3) 1 calc R U P A 2
H19F H 0.042945 0.559501 0.652448 0.100 Uiso 0.303(3) 1 calc R U P A 2
C20B C 0.3524(16) 0.5392(7) 0.682(3) 0.047(5) Uani 0.303(3) 1 d D . P A 2
H20D H 0.407667 0.541164 0.628432 0.071 Uiso 0.303(3) 1 calc R U P A 2
H20E H 0.348544 0.512029 0.706919 0.071 Uiso 0.303(3) 1 calc R U P A 2
H20F H 0.391675 0.555257 0.760195 0.071 Uiso 0.303(3) 1 calc R U P A 2
Si3 Si 0.69554(5) 0.61986(2) 0.90633(5) 0.02612(10) Uani 1 1 d . . . . .
Si4 Si 0.86520(5) 0.66748(2) 0.95377(6) 0.03452(13) Uani 1 1 d . . . . .
Si5 Si 0.78914(6) 0.55780(2) 0.96894(6) 0.03593(13) Uani 1 1 d . . . . .
Si6 Si 0.56705(6) 0.63523(2) 1.03226(5) 0.03235(12) Uani 1 1 d . . . . .
C21 C 0.7954(3) 0.71177(8) 0.8530(3) 0.0489(6) Uani 1 1 d . . . . .
H21A H 0.753398 0.704296 0.760998 0.073 Uiso 1 1 calc R U . . .
H21B H 0.867684 0.730368 0.863278 0.073 Uiso 1 1 calc R U . . .
H21C H 0.728426 0.723851 0.881738 0.073 Uiso 1 1 calc R U . . .
C22 C 0.9234(3) 0.68142(9) 1.1312(2) 0.0499(6) Uani 1 1 d . . . . .
H22A H 0.994127 0.701084 1.150383 0.075 Uiso 1 1 calc R U . . .
H22B H 0.958310 0.658323 1.185315 0.075 Uiso 1 1 calc R U . . .
H22C H 0.848074 0.692097 1.150172 0.075 Uiso 1 1 calc R U . . .
C23 C 1.0173(2) 0.64987(9) 0.9262(3) 0.0464(6) Uani 1 1 d . . . . .
H23A H 0.994196 0.644287 0.833351 0.070 Uiso 1 1 calc R U . . .
H23B H 1.050659 0.626096 0.977065 0.070 Uiso 1 1 calc R U . . .
H23C H 1.086750 0.670005 0.953890 0.070 Uiso 1 1 calc R U . . .
C24 C 0.9251(2) 0.56192(8) 1.1339(3) 0.0494(6) Uani 1 1 d . . . . .
H24A H 0.993510 0.580141 1.129743 0.074 Uiso 1 1 calc R U . . .
H24B H 0.965562 0.536261 1.161640 0.074 Uiso 1 1 calc R U . . .
H24C H 0.887315 0.571498 1.196668 0.074 Uiso 1 1 calc R U . . .
C25 C 0.8631(5) 0.53866(11) 0.8529(3) 0.0895(15) Uani 1 1 d . . . . .
H25A H 0.793361 0.536722 0.765649 0.134 Uiso 1 1 calc R U . . .
H25B H 0.901366 0.512819 0.881566 0.134 Uiso 1 1 calc R U . . .
H25C H 0.933554 0.556364 0.850310 0.134 Uiso 1 1 calc R U . . .
C26 C 0.6638(3) 0.52162(10) 0.9808(4) 0.0780(12) Uani 1 1 d . . . . .
H26A H 0.595881 0.517041 0.893909 0.117 Uiso 1 1 calc R U . . .
H26B H 0.620772 0.531823 1.038595 0.117 Uiso 1 1 calc R U . . .
H26C H 0.709084 0.497052 1.016231 0.117 Uiso 1 1 calc R U . . .
C27 C 0.6582(3) 0.61866(8) 1.2039(2) 0.0468(6) Uani 1 1 d . . . . .
H27A H 0.670349 0.590344 1.205198 0.070 Uiso 1 1 calc R U . . .
H27B H 0.606150 0.625538 1.257363 0.070 Uiso 1 1 calc R U . . .
H27C H 0.745806 0.631403 1.239143 0.070 Uiso 1 1 calc R U . . .
C28 C 0.4006(2) 0.61007(9) 0.9673(3) 0.0474(6) Uani 1 1 d . . . . .
H28A H 0.353324 0.617438 0.875926 0.071 Uiso 1 1 calc R U . . .
H28B H 0.347322 0.617842 1.018727 0.071 Uiso 1 1 calc R U . . .
H28C H 0.414051 0.581798 0.973409 0.071 Uiso 1 1 calc R U . . .
C29 C 0.5367(3) 0.68877(8) 1.0363(3) 0.0498(6) Uani 1 1 d . . . . .
H29A H 0.494161 0.698547 0.946979 0.075 Uiso 1 1 calc R U . . .
H29B H 0.622136 0.702200 1.079462 0.075 Uiso 1 1 calc R U . . .
H29C H 0.477964 0.693622 1.084655 0.075 Uiso 1 1 calc R 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
Si1A N1A 1.734(4) . ?
Si1A N2A 1.758(5) . ?
Si1A C1A 1.931(4) . ?
Si1A Si2A 2.311(3) . ?
Si2A C3A 1.914(3) . ?
Si2A C2A 1.943(3) . ?
Si2A Si3 2.3473(18) . ?
N1A C11A 1.427(5) . ?
N1A C13A 1.482(5) . ?
N2A C12A 1.420(7) . ?
N2A C17A 1.483(7) . ?
C1A C5A 1.510(3) . ?
C1A C6A 1.530(4) . ?
C1A C2A 1.569(3) . ?
C2A C7A 1.500(3) . ?
C2A C3A 1.527(3) . ?
C3A C4A 1.494(3) . ?
C3A C8A 1.518(3) . ?
C4A C5A 1.345(3) . ?
C4A C9A 1.493(3) . ?
C5A C10A 1.492(4) . ?
C6A H6AA 0.9800 . ?
C6A H6AB 0.9800 . ?
C6A H6AC 0.9800 . ?
C7A H7AA 0.9800 . ?
C7A H7AB 0.9800 . ?
C7A H7AC 0.9800 . ?
C8A H8AA 0.9800 . ?
C8A H8AB 0.9800 . ?
C8A H8AC 0.9800 . ?
C9A H9AA 0.9800 . ?
C9A H9AB 0.9800 . ?
C9A H9AC 0.9800 . ?
C10A H10A 0.9800 . ?
C10A H10B 0.9800 . ?
C10A H10C 0.9800 . ?
C11A C12A 1.316(7) . ?
C11A H11A 0.9500 . ?
C12A H12A 0.9500 . ?
C13A C14A 1.508(6) . ?
C13A C16A 1.521(6) . ?
C13A C15A 1.524(7) . ?
C14A H14A 0.9800 . ?
C14A H14B 0.9800 . ?
C14A H14C 0.9800 . ?
C15A H15A 0.9800 . ?
C15A H15B 0.9800 . ?
C15A H15C 0.9800 . ?
C16A H16A 0.9800 . ?
C16A H16B 0.9800 . ?
C16A H16C 0.9800 . ?
C17A C19A 1.523(6) . ?
C17A C20A 1.525(7) . ?
C17A C18A 1.549(7) . ?
C18A H18A 0.9800 . ?
C18A H18B 0.9800 . ?
C18A H18C 0.9800 . ?
C19A H19A 0.9800 . ?
C19A H19B 0.9800 . ?
C19A H19C 0.9800 . ?
C20A H20A 0.9800 . ?
C20A H20B 0.9800 . ?
C20A H20C 0.9800 . ?
Si1B N2B 1.748(11) . ?
Si1B N1B 1.755(9) . ?
Si1B C1B 1.979(8) . ?
Si1B Si2B 2.305(9) . ?
Si2B C3B 1.956(8) . ?
Si2B C2B 2.013(8) . ?
Si2B Si3 2.313(6) . ?
N1B C11B 1.397(12) . ?
N1B C13B 1.477(11) . ?
N2B C12B 1.435(13) . ?
N2B C17B 1.481(13) . ?
C1B C5B 1.507(9) . ?
C1B C6B 1.546(9) . ?
C1B C2B 1.572(7) . ?
C2B C7B 1.504(8) . ?
C2B C3B 1.509(7) . ?
C3B C4B 1.485(8) . ?
C3B C8B 1.530(7) . ?
C4B C5B 1.345(8) . ?
C4B C9B 1.494(9) . ?
C5B C10B 1.486(9) . ?
C6B H6BA 0.9800 . ?
C6B H6BB 0.9800 . ?
C6B H6BC 0.9800 . ?
C7B H7BA 0.9800 . ?
C7B H7BB 0.9800 . ?
C7B H7BC 0.9800 . ?
C8B H8BA 0.9800 . ?
C8B H8BB 0.9800 . ?
C8B H8BC 0.9800 . ?
C9B H9BA 0.9800 . ?
C9B H9BB 0.9800 . ?
C9B H9BC 0.9800 . ?
C10B H10D 0.9800 . ?
C10B H10E 0.9800 . ?
C10B H10F 0.9800 . ?
C11B C12B 1.288(14) . ?
C11B H11B 0.9500 . ?
C12B H12B 0.9500 . ?
C13B C16B 1.501(15) . ?
C13B C14B 1.506(12) . ?
C13B C15B 1.545(14) . ?
C16B H16D 0.9800 . ?
C16B H16E 0.9800 . ?
C16B H16F 0.9800 . ?
C14B H14D 0.9800 . ?
C14B H14E 0.9800 . ?
C14B H14F 0.9800 . ?
C15B H15D 0.9800 . ?
C15B H15E 0.9800 . ?
C15B H15F 0.9800 . ?
C17B C19B 1.534(14) . ?
C17B C20B 1.537(13) . ?
C17B C18B 1.557(13) . ?
C18B H18D 0.9800 . ?
C18B H18E 0.9800 . ?
C18B H18F 0.9800 . ?
C19B H19D 0.9800 . ?
C19B H19E 0.9800 . ?
C19B H19F 0.9800 . ?
C20B H20D 0.9800 . ?
C20B H20E 0.9800 . ?
C20B H20F 0.9800 . ?
Si3 Si5 2.3483(8) . ?
Si3 Si6 2.3531(7) . ?
Si3 Si4 2.3604(8) . ?
Si4 C21 1.870(3) . ?
Si4 C23 1.872(3) . ?
Si4 C22 1.883(2) . ?
Si5 C25 1.859(3) . ?
Si5 C24 1.872(2) . ?
Si5 C26 1.873(3) . ?
Si6 C27 1.871(2) . ?
Si6 C29 1.870(3) . ?
Si6 C28 1.876(2) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 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
N1A Si1A N2A 93.0(2) . . ?
N1A Si1A C1A 119.97(19) . . ?
N2A Si1A C1A 112.3(3) . . ?
N1A Si1A Si2A 129.0(2) . . ?
N2A Si1A Si2A 125.0(3) . . ?
C1A Si1A Si2A 79.14(12) . . ?
C3A Si2A C2A 46.64(11) . . ?
C3A Si2A Si1A 98.97(11) . . ?
C2A Si2A Si1A 76.54(12) . . ?
C3A Si2A Si3 119.69(12) . . ?
C2A Si2A Si3 136.37(14) . . ?
Si1A Si2A Si3 140.34(11) . . ?
C11A N1A C13A 116.8(3) . . ?
C11A N1A Si1A 107.3(3) . . ?
C13A N1A Si1A 132.3(3) . . ?
C12A N2A C17A 118.8(5) . . ?
C12A N2A Si1A 106.4(4) . . ?
C17A N2A Si1A 134.8(4) . . ?
C5A C1A C6A 114.3(2) . . ?
C5A C1A C2A 104.63(18) . . ?
C6A C1A C2A 115.5(2) . . ?
C5A C1A Si1A 106.53(19) . . ?
C6A C1A Si1A 116.06(19) . . ?
C2A C1A Si1A 97.90(17) . . ?
C7A C2A C3A 121.3(2) . . ?
C7A C2A C1A 119.8(2) . . ?
C3A C2A C1A 102.16(17) . . ?
C7A C2A Si2A 132.99(19) . . ?
C3A C2A Si2A 65.66(13) . . ?
C1A C2A Si2A 100.86(16) . . ?
C4A C3A C8A 117.70(19) . . ?
C4A C3A C2A 107.01(18) . . ?
C8A C3A C2A 117.3(2) . . ?
C4A C3A Si2A 120.14(16) . . ?
C8A C3A Si2A 116.17(17) . . ?
C2A C3A Si2A 67.70(14) . . ?
C5A C4A C9A 127.9(2) . . ?
C5A C4A C3A 110.6(2) . . ?
C9A C4A C3A 121.5(2) . . ?
C4A C5A C10A 128.2(2) . . ?
C4A C5A C1A 110.8(2) . . ?
C10A C5A C1A 120.7(2) . . ?
C1A C6A H6AA 109.5 . . ?
C1A C6A H6AB 109.5 . . ?
H6AA C6A H6AB 109.5 . . ?
C1A C6A H6AC 109.5 . . ?
H6AA C6A H6AC 109.5 . . ?
H6AB C6A H6AC 109.5 . . ?
C2A C7A H7AA 109.5 . . ?
C2A C7A H7AB 109.5 . . ?
H7AA C7A H7AB 109.5 . . ?
C2A C7A H7AC 109.5 . . ?
H7AA C7A H7AC 109.5 . . ?
H7AB C7A H7AC 109.5 . . ?
C3A C8A H8AA 109.5 . . ?
C3A C8A H8AB 109.5 . . ?
H8AA C8A H8AB 109.5 . . ?
C3A C8A H8AC 109.5 . . ?
H8AA C8A H8AC 109.5 . . ?
H8AB C8A H8AC 109.5 . . ?
C4A C9A H9AA 109.5 . . ?
C4A C9A H9AB 109.5 . . ?
H9AA C9A H9AB 109.5 . . ?
C4A C9A H9AC 109.5 . . ?
H9AA C9A H9AC 109.5 . . ?
H9AB C9A H9AC 109.5 . . ?
C5A C10A H10A 109.5 . . ?
C5A C10A H10B 109.5 . . ?
H10A C10A H10B 109.5 . . ?
C5A C10A H10C 109.5 . . ?
H10A C10A H10C 109.5 . . ?
H10B C10A H10C 109.5 . . ?
C12A C11A N1A 115.0(5) . . ?
C12A C11A H11A 122.5 . . ?
N1A C11A H11A 122.5 . . ?
C11A C12A N2A 115.6(5) . . ?
C11A C12A H12A 122.2 . . ?
N2A C12A H12A 122.2 . . ?
N1A C13A C14A 110.1(4) . . ?
N1A C13A C16A 109.9(3) . . ?
C14A C13A C16A 108.7(5) . . ?
N1A C13A C15A 110.3(4) . . ?
C14A C13A C15A 109.8(5) . . ?
C16A C13A C15A 108.0(6) . . ?
C13A C14A H14A 109.5 . . ?
C13A C14A H14B 109.5 . . ?
H14A C14A H14B 109.5 . . ?
C13A C14A H14C 109.5 . . ?
H14A C14A H14C 109.5 . . ?
H14B C14A H14C 109.5 . . ?
C13A C15A H15A 109.5 . . ?
C13A C15A H15B 109.5 . . ?
H15A C15A H15B 109.5 . . ?
C13A C15A H15C 109.5 . . ?
H15A C15A H15C 109.5 . . ?
H15B C15A H15C 109.5 . . ?
C13A C16A H16A 109.5 . . ?
C13A C16A H16B 109.5 . . ?
H16A C16A H16B 109.5 . . ?
C13A C16A H16C 109.5 . . ?
H16A C16A H16C 109.5 . . ?
H16B C16A H16C 109.5 . . ?
N2A C17A C19A 109.7(5) . . ?
N2A C17A C20A 107.7(6) . . ?
C19A C17A C20A 111.4(6) . . ?
N2A C17A C18A 107.7(5) . . ?
C19A C17A C18A 111.3(6) . . ?
C20A C17A C18A 108.9(7) . . ?
C17A C18A H18A 109.5 . . ?
C17A C18A H18B 109.5 . . ?
H18A C18A H18B 109.5 . . ?
C17A C18A H18C 109.5 . . ?
H18A C18A H18C 109.5 . . ?
H18B C18A H18C 109.5 . . ?
C17A C19A H19A 109.5 . . ?
C17A C19A H19B 109.5 . . ?
H19A C19A H19B 109.5 . . ?
C17A C19A H19C 109.5 . . ?
H19A C19A H19C 109.5 . . ?
H19B C19A H19C 109.5 . . ?
C17A C20A H20A 109.5 . . ?
C17A C20A H20B 109.5 . . ?
H20A C20A H20B 109.5 . . ?
C17A C20A H20C 109.5 . . ?
H20A C20A H20C 109.5 . . ?
H20B C20A H20C 109.5 . . ?
N2B Si1B N1B 94.5(6) . . ?
N2B Si1B C1B 119.4(8) . . ?
N1B Si1B C1B 109.8(5) . . ?
N2B Si1B Si2B 125.4(7) . . ?
N1B Si1B Si2B 128.5(5) . . ?
C1B Si1B Si2B 79.9(3) . . ?
C3B Si2B C2B 44.7(3) . . ?
C3B Si2B Si1B 97.3(3) . . ?
C2B Si2B Si1B 76.8(3) . . ?
C3B Si2B Si3 121.9(4) . . ?
C2B Si2B Si3 139.3(4) . . ?
Si1B Si2B Si3 139.0(3) . . ?
C11B N1B C13B 120.0(8) . . ?
C11B N1B Si1B 105.6(8) . . ?
C13B N1B Si1B 133.4(7) . . ?
C12B N2B C17B 113.2(12) . . ?
C12B N2B Si1B 104.5(9) . . ?
C17B N2B Si1B 135.4(11) . . ?
C5B C1B C6B 113.2(6) . . ?
C5B C1B C2B 105.6(4) . . ?
C6B C1B C2B 115.8(6) . . ?
C5B C1B Si1B 106.8(5) . . ?
C6B C1B Si1B 115.9(5) . . ?
C2B C1B Si1B 98.0(4) . . ?
C7B C2B C3B 122.2(5) . . ?
C7B C2B C1B 118.6(5) . . ?
C3B C2B C1B 100.9(4) . . ?
C7B C2B Si2B 135.2(5) . . ?
C3B C2B Si2B 65.7(4) . . ?
C1B C2B Si2B 100.1(4) . . ?
C4B C3B C2B 107.7(4) . . ?
C4B C3B C8B 116.9(5) . . ?
C2B C3B C8B 117.1(6) . . ?
C4B C3B Si2B 120.9(5) . . ?
C2B C3B Si2B 69.7(4) . . ?
C8B C3B Si2B 115.2(5) . . ?
C5B C4B C3B 111.2(5) . . ?
C5B C4B C9B 126.7(6) . . ?
C3B C4B C9B 122.1(6) . . ?
C4B C5B C10B 130.0(7) . . ?
C4B C5B C1B 109.0(5) . . ?
C10B C5B C1B 120.8(7) . . ?
C1B C6B H6BA 109.5 . . ?
C1B C6B H6BB 109.5 . . ?
H6BA C6B H6BB 109.5 . . ?
C1B C6B H6BC 109.5 . . ?
H6BA C6B H6BC 109.5 . . ?
H6BB C6B H6BC 109.5 . . ?
C2B C7B H7BA 109.5 . . ?
C2B C7B H7BB 109.5 . . ?
H7BA C7B H7BB 109.5 . . ?
C2B C7B H7BC 109.5 . . ?
H7BA C7B H7BC 109.5 . . ?
H7BB C7B H7BC 109.5 . . ?
C3B C8B H8BA 109.5 . . ?
C3B C8B H8BB 109.5 . . ?
H8BA C8B H8BB 109.5 . . ?
C3B C8B H8BC 109.5 . . ?
H8BA C8B H8BC 109.5 . . ?
H8BB C8B H8BC 109.5 . . ?
C4B C9B H9BA 109.5 . . ?
C4B C9B H9BB 109.5 . . ?
H9BA C9B H9BB 109.5 . . ?
C4B C9B H9BC 109.5 . . ?
H9BA C9B H9BC 109.5 . . ?
H9BB C9B H9BC 109.5 . . ?
C5B C10B H10D 109.5 . . ?
C5B C10B H10E 109.5 . . ?
H10D C10B H10E 109.5 . . ?
C5B C10B H10F 109.5 . . ?
H10D C10B H10F 109.5 . . ?
H10E C10B H10F 109.5 . . ?
C12B C11B N1B 116.8(12) . . ?
C12B C11B H11B 121.6 . . ?
N1B C11B H11B 121.6 . . ?
C11B C12B N2B 117.0(12) . . ?
C11B C12B H12B 121.5 . . ?
N2B C12B H12B 121.5 . . ?
N1B C13B C16B 109.2(8) . . ?
N1B C13B C14B 109.4(10) . . ?
C16B C13B C14B 111.7(10) . . ?
N1B C13B C15B 107.2(11) . . ?
C16B C13B C15B 110.8(12) . . ?
C14B C13B C15B 108.4(10) . . ?
C13B C16B H16D 109.5 . . ?
C13B C16B H16E 109.5 . . ?
H16D C16B H16E 109.5 . . ?
C13B C16B H16F 109.5 . . ?
H16D C16B H16F 109.5 . . ?
H16E C16B H16F 109.5 . . ?
C13B C14B H14D 109.5 . . ?
C13B C14B H14E 109.5 . . ?
H14D C14B H14E 109.5 . . ?
C13B C14B H14F 109.5 . . ?
H14D C14B H14F 109.5 . . ?
H14E C14B H14F 109.5 . . ?
C13B C15B H15D 109.5 . . ?
C13B C15B H15E 109.5 . . ?
H15D C15B H15E 109.5 . . ?
C13B C15B H15F 109.5 . . ?
H15D C15B H15F 109.5 . . ?
H15E C15B H15F 109.5 . . ?
N2B C17B C19B 110.9(13) . . ?
N2B C17B C20B 113.0(12) . . ?
C19B C17B C20B 104.8(14) . . ?
N2B C17B C18B 115.1(12) . . ?
C19B C17B C18B 106.6(12) . . ?
C20B C17B C18B 105.7(14) . . ?
C17B C18B H18D 109.4 . . ?
C17B C18B H18E 109.5 . . ?
H18D C18B H18E 109.5 . . ?
C17B C18B H18F 109.5 . . ?
H18D C18B H18F 109.5 . . ?
H18E C18B H18F 109.5 . . ?
C17B C19B H19D 109.5 . . ?
C17B C19B H19E 109.5 . . ?
H19D C19B H19E 109.5 . . ?
C17B C19B H19F 109.5 . . ?
H19D C19B H19F 109.5 . . ?
H19E C19B H19F 109.5 . . ?
C17B C20B H20D 109.5 . . ?
C17B C20B H20E 109.5 . . ?
H20D C20B H20E 109.5 . . ?
C17B C20B H20F 109.5 . . ?
H20D C20B H20F 109.5 . . ?
H20E C20B H20F 109.5 . . ?
Si2B Si3 Si5 115.4(2) . . ?
Si2A Si3 Si5 112.91(7) . . ?
Si2B Si3 Si6 105.73(17) . . ?
Si2A Si3 Si6 106.93(6) . . ?
Si5 Si3 Si6 108.14(3) . . ?
Si2B Si3 Si4 109.81(19) . . ?
Si2A Si3 Si4 111.27(6) . . ?
Si5 Si3 Si4 110.52(3) . . ?
Si6 Si3 Si4 106.77(3) . . ?
C21 Si4 C23 110.45(13) . . ?
C21 Si4 C22 108.54(13) . . ?
C23 Si4 C22 106.00(12) . . ?
C21 Si4 Si3 108.86(8) . . ?
C23 Si4 Si3 113.03(9) . . ?
C22 Si4 Si3 109.85(9) . . ?
C25 Si5 C24 108.46(17) . . ?
C25 Si5 C26 108.4(2) . . ?
C24 Si5 C26 107.82(14) . . ?
C25 Si5 Si3 111.35(11) . . ?
C24 Si5 Si3 108.28(9) . . ?
C26 Si5 Si3 112.36(12) . . ?
C27 Si6 C29 107.79(13) . . ?
C27 Si6 C28 108.43(13) . . ?
C29 Si6 C28 108.12(13) . . ?
C27 Si6 Si3 109.08(8) . . ?
C29 Si6 Si3 112.35(9) . . ?
C28 Si6 Si3 110.95(8) . . ?
Si4 C21 H21A 109.5 . . ?
Si4 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si4 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si4 C22 H22A 109.5 . . ?
Si4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si4 C23 H23A 109.5 . . ?
Si4 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si4 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si5 C24 H24A 109.5 . . ?
Si5 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si5 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si5 C25 H25A 109.5 . . ?
Si5 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si5 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si5 C26 H26A 109.5 . . ?
Si5 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si5 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si6 C27 H27A 109.5 . . ?
Si6 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
Si6 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si6 C28 H28A 109.5 . . ?
Si6 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Si6 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si6 C29 H29A 109.5 . . ?
Si6 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
Si6 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?

_refine_diff_density_max         0.516
_refine_diff_density_min         -0.644
_refine_diff_density_rms         0.068


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: hexane'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
