# Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2009

data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

_publ_contact_author_name        'Stephen Yeates'
_publ_contact_author_email       STEPHEN.YEATES@MANCHESTER.AC.UK

_publ_section_title              
;
High performance, Acene-Based Organic Thin Film Transistors
;
_publ_requested_category         FO
loop_
_publ_author_name
'Stephen Yeates'
'David J. Crouch'
'Marie-Beatrice Dufourg-Madec'
'Gonzalo Rincon Llorente'
'Simon Ogier'
;
R.Pritchard
;

# Attachment 'SMALL 8 .cif'

#\#CIF_1.1

# CIF produced by WinGX routine CIF_UPDATE
# Created on 2009-03-05 at 16:50:56
# Using CIFtbx version 2.6.2 16 Jun 1998

# Dictionary name : cif_core.dic
# Dictionary vers : 2.3
# Request file : c:\wingx\files\archive.dat
# CIF files read : new dreduc sortav struct

data_new
_database_code_depnum_ccdc_archive 'CCDC 717661'

_audit_creation_date             2009-03-05T16:50:56-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
# CHEMICAL INFORMATION #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
?
;
_chemical_formula_moiety         'C42 H50 Si2'
_chemical_formula_sum            'C42 H50 Si2'
_chemical_formula_weight         611
_chemical_compound_source        'synthesis as described'

#----------------------------------------------------------------------------#
# UNIT CELL INFORMATION #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.3024(2)
_cell_length_b                   10.9762(3)
_cell_length_c                   12.1090(4)
_cell_angle_alpha                74.402(3)
_cell_angle_beta                 89.953(2)
_cell_angle_gamma                73.746(2)
_cell_volume                     894.55(5)
_cell_formula_units_Z            1
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    35858
_cell_measurement_theta_min      2
_cell_measurement_theta_max      26
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
# CRYSTAL INFORMATION #
#----------------------------------------------------------------------------#

_exptl_crystal_description       rod
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_exptl_crystal_density_diffrn    1.134
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             330
_exptl_special_details           
;
?
;

#----------------------------------------------------------------------------#
# ABSORPTION CORRECTION #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    0.127
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
R.H. Blessing, Acta Cryst. (1995), A51, 33-38
;
_exptl_absorpt_correction_T_min  0.969
_exptl_absorpt_correction_T_max  0.9775

#----------------------------------------------------------------------------#
# DATA COLLECTION #
#----------------------------------------------------------------------------#

_diffrn_source                   'Enraf Nonius FR590'
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_orient_matrix_type       'by Nonius Collect from scalepack cell'
_diffrn_orient_matrix_ub_11      -0.11483E-1
_diffrn_orient_matrix_ub_12      0.57046E-2
_diffrn_orient_matrix_ub_13      -0.374196E-1
_diffrn_orient_matrix_ub_21      0.564447E-1
_diffrn_orient_matrix_ub_22      0.5844E-3
_diffrn_orient_matrix_ub_23      -0.175144E-1
_diffrn_orient_matrix_ub_31      0.983E-4
_diffrn_orient_matrix_ub_32      -0.537602E-1
_diffrn_orient_matrix_ub_33      0.4296E-3
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_reflns_av_R_equivalents  0.0774
_diffrn_reflns_av_unetI/netI     0.0411
_diffrn_reflns_number            13549
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         3.02
_diffrn_reflns_theta_max         25.49
_diffrn_reflns_theta_full        25.49
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_reflns_number_total             3297
_reflns_number_gt                2172
_reflns_threshold_expression     >2sigma(I)
_diffrn_reflns_reduction_process 
;
Scaled and merged with SORTAV
R.H. Blessing, (1987) Cryst. Rev. 1, 3-58
R.H. Blessing, (1989) J. Appl. Cryst. 22, 396-397
;

#----------------------------------------------------------------------------#
# COMPUTER PROGRAMS USED #
#----------------------------------------------------------------------------#

_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction        
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

#----------------------------------------------------------------------------#
# REFINEMENT INFORMATION #
#----------------------------------------------------------------------------#

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
The ethyl groups attached to the Si are each disordered over two sites and
have all been constrained using DFIX.
The flags that arrise during Web checking of the CIF result from the
disordedered ethyl groups.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0610P)^2^+1.6116P] where P=(Fo^2^+2Fc^2^)/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_number_reflns         3297
_refine_ls_number_parameters     258
_refine_ls_number_restraints     186
_refine_ls_R_factor_all          0.1162
_refine_ls_R_factor_gt           0.0771
_refine_ls_wR_factor_ref         0.1991
_refine_ls_wR_factor_gt          0.1697
_refine_ls_goodness_of_fit_ref   0.967
_refine_ls_restrained_S_all      0.973
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0
_refine_diff_density_max         0.343
_refine_diff_density_min         -0.268
_refine_diff_density_rms         0.062

#----------------------------------------------------------------------------#
# ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS #
#----------------------------------------------------------------------------#

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 0 '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'

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4539(3) 0.7179(2) 0.7272(2) 0.0573(6) Uani 1 1 d U A .
C2 C 0.4720(3) 0.6514(2) 0.65985(19) 0.0456(5) Uani 1 1 d U . .
C3 C 0.4877(3) 0.57452(18) 0.58047(17) 0.0389(5) Uani 1 1 d U . .
C4 C 0.3653(3) 0.49370(18) 0.58537(17) 0.0382(5) Uani 1 1 d U . .
C5 C 0.2311(3) 0.48506(19) 0.66779(17) 0.0420(5) Uani 1 1 d U . .
H5 H 0.225 0.5334 0.7227 0.05 Uiso 1 1 calc R . .
C6 C 0.1065(3) 0.40874(19) 0.67248(17) 0.0410(5) Uani 1 1 d U . .
C7 C -0.0337(3) 0.4041(2) 0.75634(19) 0.0471(6) Uani 1 1 d U . .
C8 C -0.1516(3) 0.3285(2) 0.7558(2) 0.0532(6) Uani 1 1 d U . .
H8 H -0.2445 0.3253 0.8107 0.064 Uiso 1 1 calc R . .
C9 C -0.1401(3) 0.2538(2) 0.6753(2) 0.0540(7) Uani 1 1 d U . .
H9 H -0.2248 0.2014 0.6784 0.065 Uiso 1 1 calc R . .
C10 C -0.0121(3) 0.2548(2) 0.5942(2) 0.0474(6) Uani 1 1 d U . .
C11 C 0.1181(3) 0.33313(19) 0.59000(18) 0.0415(5) Uani 1 1 d U . .
C12 C 0.7477(3) 0.66027(19) 0.49053(18) 0.0412(5) Uani 1 1 d U . .
H12 H 0.7399 0.7105 0.5441 0.049 Uiso 1 1 calc R . .
C13 C 0.6224(3) 0.58220(18) 0.49646(17) 0.0394(5) Uani 1 1 d U . .
C14 C -0.0498(4) 0.4853(2) 0.8408(2) 0.0577(7) Uani 1 1 d U . .
H14A H -0.1509 0.4707 0.8914 0.087 Uiso 1 1 calc R . .
H14B H -0.0811 0.5792 0.7986 0.087 Uiso 1 1 calc R . .
H14C H 0.0723 0.4587 0.887 0.087 Uiso 1 1 calc R . .
C15 C -0.0041(3) 0.1761(2) 0.5081(2) 0.0560(6) Uani 1 1 d U . .
H15A H -0.1016 0.1292 0.5222 0.084 Uiso 1 1 calc R . .
H15B H 0.1228 0.1121 0.5164 0.084 Uiso 1 1 calc R . .
H15C H -0.0282 0.2362 0.43 0.084 Uiso 1 1 calc R . .
Si1 Si 0.42170(11) 0.82516(7) 0.82249(6) 0.0664(2) Uani 1 1 d DU . .
C16 C 0.5819(10) 0.7420(5) 0.9479(4) 0.079(2) Uani 0.5 1 d PDU A 1
H16A H 0.7156 0.7098 0.929 0.094 Uiso 0.5 1 calc PR A 1
H16B H 0.5758 0.7976 1.0008 0.094 Uiso 0.5 1 calc PR A 1
C17 C 0.4912(11) 0.6249(8) 0.9973(7) 0.117(3) Uani 0.5 1 d PDU A 1
H17A H 0.5625 0.5673 1.0699 0.175 Uiso 0.5 1 calc PR A 1
H17B H 0.4979 0.5736 0.9417 0.175 Uiso 0.5 1 calc PR A 1
H17C H 0.3572 0.6613 1.0108 0.175 Uiso 0.5 1 calc PR A 1
C18 C 0.4515(8) 0.9912(4) 0.7410(4) 0.0650(15) Uani 0.5 1 d PDU A 1
H18A H 0.5664 0.9748 0.6975 0.078 Uiso 0.5 1 calc PR A 1
H18B H 0.3399 1.0378 0.6839 0.078 Uiso 0.5 1 calc PR A 1
C19 C 0.4710(11) 1.0856(6) 0.8120(7) 0.105(2) Uani 0.5 1 d PDU A 1
H19A H 0.5502 1.1405 0.7733 0.157 Uiso 0.5 1 calc PR A 1
H19B H 0.5313 1.0336 0.8889 0.157 Uiso 0.5 1 calc PR A 1
H19C H 0.3439 1.1424 0.8187 0.157 Uiso 0.5 1 calc PR A 1
C20 C 0.1585(9) 0.8503(7) 0.8527(8) 0.147(3) Uani 0.5 1 d PDU A 1
H20A H 0.0828 0.8813 0.7775 0.176 Uiso 0.5 1 calc PR A 1
H20B H 0.1439 0.7624 0.8921 0.176 Uiso 0.5 1 calc PR A 1
C21 C 0.0669(8) 0.9426(6) 0.9222(5) 0.0722(17) Uani 0.5 1 d PDU A 1
H21A H -0.071 0.9535 0.9206 0.108 Uiso 0.5 1 calc PR A 1
H21B H 0.089 1.0288 0.8894 0.108 Uiso 0.5 1 calc PR A 1
H21C H 0.1231 0.9058 1.0019 0.108 Uiso 0.5 1 calc PR A 1
C16B C 0.5375(9) 0.7223(6) 0.9725(5) 0.0747(19) Uani 0.5 1 d PDU A 2
H16C H 0.4598 0.6631 1.0071 0.09 Uiso 0.5 1 calc PR A 2
H16D H 0.6658 0.6657 0.9642 0.09 Uiso 0.5 1 calc PR A 2
C17B C 0.5605(8) 0.8028(4) 1.0578(4) 0.0692(15) Uani 0.5 1 d PDU A 2
H17D H 0.6158 0.7417 1.1329 0.104 Uiso 0.5 1 calc PR A 2
H17E H 0.4349 0.8602 1.0664 0.104 Uiso 0.5 1 calc PR A 2
H17F H 0.6452 0.8571 1.0275 0.104 Uiso 0.5 1 calc PR A 2
C18B C 0.5900(9) 0.9286(6) 0.7658(6) 0.114(2) Uani 0.5 1 d PDU A 2
H18C H 0.5817 0.9925 0.8112 0.137 Uiso 0.5 1 calc PR A 2
H18D H 0.7229 0.8696 0.7782 0.137 Uiso 0.5 1 calc PR A 2
C19B C 0.5518(8) 0.9985(5) 0.6490(5) 0.0698(16) Uani 0.5 1 d PDU A 2
H19D H 0.559 1.0887 0.6383 0.105 Uiso 0.5 1 calc PR A 2
H19E H 0.4233 1.0016 0.6227 0.105 Uiso 0.5 1 calc PR A 2
H19F H 0.6463 0.954 0.6043 0.105 Uiso 0.5 1 calc PR A 2
C20B C 0.1792(7) 0.9101(5) 0.8273(4) 0.0685(19) Uani 0.5 1 d PDU A 2
H20C H 0.174 0.9707 0.8755 0.082 Uiso 0.5 1 calc PR A 2
H20D H 0.1288 0.9655 0.7484 0.082 Uiso 0.5 1 calc PR A 2
C21B C 0.0532(10) 0.8326(8) 0.8697(8) 0.119(3) Uani 0.5 1 d PDU A 2
H21D H -0.0763 0.8911 0.8681 0.179 Uiso 0.5 1 calc PR A 2
H21E H 0.0976 0.7792 0.9489 0.179 Uiso 0.5 1 calc PR A 2
H21F H 0.0518 0.7743 0.8212 0.179 Uiso 0.5 1 calc PR A 2

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C1 0.0407(11) 0.0705(12) 0.0781(14) -0.0477(10) 0.0079(10) -0.0176(10)
C2 0.0346(10) 0.0501(10) 0.0596(12) -0.0295(9) 0.0003(9) -0.0107(8)
C3 0.0379(10) 0.0374(9) 0.0434(10) -0.0198(8) -0.0042(8) -0.0062(8)
C4 0.0410(10) 0.0331(9) 0.0398(10) -0.0153(8) -0.0054(8) -0.0049(8)
C5 0.0472(11) 0.0399(9) 0.0392(10) -0.0175(8) -0.0019(9) -0.0070(9)
C6 0.0434(10) 0.0348(9) 0.0407(10) -0.0094(8) -0.0033(9) -0.0061(8)
C7 0.0493(12) 0.0417(11) 0.0451(11) -0.0098(9) -0.0009(10) -0.0072(9)
C8 0.0559(12) 0.0479(12) 0.0532(13) -0.0087(10) 0.0055(11) -0.0159(10)
C9 0.0514(12) 0.0453(11) 0.0620(14) -0.0052(10) -0.0029(11) -0.0180(9)
C10 0.0519(11) 0.0354(10) 0.0547(12) -0.0113(9) -0.0047(10) -0.0135(9)
C11 0.0431(10) 0.0335(9) 0.0446(11) -0.0097(8) -0.0073(9) -0.0073(8)
C12 0.0450(11) 0.0341(9) 0.0454(10) -0.0176(8) -0.0050(9) -0.0065(8)
C13 0.0414(10) 0.0355(9) 0.0422(10) -0.0167(8) -0.0054(8) -0.0070(8)
C14 0.0582(13) 0.0632(13) 0.0542(13) -0.0239(11) 0.0100(11) -0.0143(11)
C15 0.0565(12) 0.0459(10) 0.0731(15) -0.0222(10) -0.0018(11) -0.0213(9)
Si1 0.0710(4) 0.0735(3) 0.0803(4) -0.0573(3) 0.0226(3) -0.0272(3)
C16 0.135(5) 0.062(3) 0.044(2) -0.032(2) 0.007(3) -0.020(3)
C17 0.105(5) 0.131(6) 0.089(5) -0.024(4) 0.017(4) -0.001(5)
C18 0.088(3) 0.039(2) 0.050(2) -0.0254(18) -0.030(2) 0.021(2)
C19 0.111(5) 0.090(4) 0.122(5) -0.046(4) 0.005(4) -0.029(4)
C20 0.117(5) 0.155(4) 0.242(7) -0.159(4) 0.084(5) -0.056(4)
C21 0.062(3) 0.087(3) 0.070(3) -0.036(3) 0.016(2) -0.009(3)
C16B 0.057(3) 0.079(3) 0.107(4) -0.066(3) 0.006(3) -0.011(3)
C17B 0.081(3) 0.066(2) 0.054(2) -0.0478(18) -0.031(2) 0.019(2)
C18B 0.119(4) 0.129(3) 0.157(5) -0.110(3) 0.022(4) -0.067(3)
C19B 0.077(3) 0.050(2) 0.094(4) -0.023(2) 0.030(3) -0.033(2)
C20B 0.084(4) 0.046(3) 0.043(2) -0.005(2) 0.013(3) 0.025(3)
C21B 0.105(4) 0.119(5) 0.166(6) -0.062(4) 0.063(5) -0.061(4)

#----------------------------------------------------------------------------#
# MOLECULAR GEOMETRY #
#----------------------------------------------------------------------------#

_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
C1 C2 1.217(3) . ?
C1 Si1 1.830(3) . ?
C2 C3 1.425(3) . ?
C3 C4 1.416(3) . ?
C3 C13 1.417(3) . ?
C4 C5 1.402(3) . ?
C4 C13 1.444(3) 2_666 ?
C5 C6 1.390(3) . ?
C5 H5 0.95 . ?
C6 C7 1.443(3) . ?
C6 C11 1.449(3) . ?
C7 C8 1.354(3) . ?
C7 C14 1.512(3) . ?
C8 C9 1.422(4) . ?
C8 H8 0.95 . ?
C9 C10 1.354(3) . ?
C9 H9 0.95 . ?
C10 C11 1.443(3) . ?
C10 C15 1.514(3) . ?
C11 C12 1.384(3) 2_666 ?
C12 C11 1.384(3) 2_666 ?
C12 C13 1.408(3) . ?
C12 H12 0.95 . ?
C13 C4 1.444(3) 2_666 ?
C14 H14A 0.98 . ?
C14 H14B 0.98 . ?
C14 H14C 0.98 . ?
C15 H15A 0.98 . ?
C15 H15B 0.98 . ?
C15 H15C 0.98 . ?
Si1 C20B 1.764(5) . ?
Si1 C16 1.780(5) . ?
Si1 C18 1.897(5) . ?
Si1 C18B 1.906(6) . ?
Si1 C16B 1.911(6) . ?
Si1 C20 1.913(7) . ?
C16 C17 1.584(10) . ?
C16 H16A 0.99 . ?
C16 H16B 0.99 . ?
C17 H17A 0.98 . ?
C17 H17B 0.98 . ?
C17 H17C 0.98 . ?
C18 C19 1.548(8) . ?
C18 H18A 0.99 . ?
C18 H18B 0.99 . ?
C19 H19A 0.98 . ?
C19 H19B 0.98 . ?
C19 H19C 0.98 . ?
C20 C21 1.504(9) . ?
C20 H20A 0.99 . ?
C20 H20B 0.99 . ?
C21 H21A 0.98 . ?
C21 H21B 0.98 . ?
C21 H21C 0.98 . ?
C16B C17B 1.566(8) . ?
C16B H16C 0.99 . ?
C16B H16D 0.99 . ?
C17B H17D 0.98 . ?
C17B H17E 0.98 . ?
C17B H17F 0.98 . ?
C18B C19B 1.402(8) . ?
C18B H18C 0.99 . ?
C18B H18D 0.99 . ?
C19B H19D 0.98 . ?
C19B H19E 0.98 . ?
C19B H19F 0.98 . ?
C20B C21B 1.427(9) . ?
C20B H20C 0.99 . ?
C20B H20D 0.99 . ?
C21B H21D 0.98 . ?
C21B H21E 0.98 . ?
C21B H21F 0.98 . ?

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
C2 C1 Si1 177.2(2) . . ?
C1 C2 C3 178.4(2) . . ?
C4 C3 C13 121.05(19) . . ?
C4 C3 C2 119.34(19) . . ?
C13 C3 C2 119.60(19) . . ?
C5 C4 C3 121.80(19) . . ?
C5 C4 C13 118.61(19) . 2_666 ?
C3 C4 C13 119.58(19) . 2_666 ?
C6 C5 C4 122.7(2) . . ?
C6 C5 H5 118.6 . . ?
C4 C5 H5 118.6 . . ?
C5 C6 C7 121.7(2) . . ?
C5 C6 C11 118.65(19) . . ?
C7 C6 C11 119.6(2) . . ?
C8 C7 C6 118.8(2) . . ?
C8 C7 C14 121.3(2) . . ?
C6 C7 C14 119.9(2) . . ?
C7 C8 C9 121.7(2) . . ?
C7 C8 H8 119.2 . . ?
C9 C8 H8 119.2 . . ?
C10 C9 C8 122.2(2) . . ?
C10 C9 H9 118.9 . . ?
C8 C9 H9 118.9 . . ?
C9 C10 C11 119.0(2) . . ?
C9 C10 C15 121.3(2) . . ?
C11 C10 C15 119.6(2) . . ?
C12 C11 C10 122.5(2) 2_666 . ?
C12 C11 C6 118.9(2) 2_666 . ?
C10 C11 C6 118.7(2) . . ?
C11 C12 C13 122.8(2) 2_666 . ?
C11 C12 H12 118.6 2_666 . ?
C13 C12 H12 118.6 . . ?
C12 C13 C3 122.30(19) . . ?
C12 C13 C4 118.33(19) . 2_666 ?
C3 C13 C4 119.37(19) . 2_666 ?
C7 C14 H14A 109.5 . . ?
C7 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C7 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C10 C15 H15A 109.5 . . ?
C10 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C10 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C20B Si1 C16 123.1(3) . . ?
C20B Si1 C1 112.6(2) . . ?
C16 Si1 C1 108.7(2) . . ?
C20B Si1 C18 86.7(2) . . ?
C16 Si1 C18 114.2(3) . . ?
C1 Si1 C18 109.54(16) . . ?
C20B Si1 C18B 117.5(3) . . ?
C16 Si1 C18B 89.2(3) . . ?
C1 Si1 C18B 102.0(2) . . ?
C18 Si1 C18B 31.8(2) . . ?
C20B Si1 C16B 111.4(3) . . ?
C16 Si1 C16B 14.9(3) . . ?
C1 Si1 C16B 109.1(2) . . ?
C18 Si1 C16B 125.7(3) . . ?
C18B Si1 C16B 103.4(3) . . ?
C20B Si1 C20 21.6(3) . . ?
C16 Si1 C20 113.2(3) . . ?
C1 Si1 C20 102.3(3) . . ?
C18 Si1 C20 108.2(3) . . ?
C18B Si1 C20 139.1(3) . . ?
C16B Si1 C20 99.1(3) . . ?
C17 C16 Si1 97.8(4) . . ?
C17 C16 H16A 112.2 . . ?
Si1 C16 H16A 112.2 . . ?
C17 C16 H16B 112.2 . . ?
Si1 C16 H16B 112.2 . . ?
H16A C16 H16B 109.8 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 Si1 117.4(4) . . ?
C19 C18 H18A 107.9 . . ?
Si1 C18 H18A 107.9 . . ?
C19 C18 H18B 107.9 . . ?
Si1 C18 H18B 107.9 . . ?
H18A C18 H18B 107.2 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 Si1 119.9(5) . . ?
C21 C20 H20A 107.3 . . ?
Si1 C20 H20A 107.3 . . ?
C21 C20 H20B 107.3 . . ?
Si1 C20 H20B 107.3 . . ?
H20A C20 H20B 106.9 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C17B C16B Si1 115.6(4) . . ?
C17B C16B H16C 108.4 . . ?
Si1 C16B H16C 108.4 . . ?
C17B C16B H16D 108.4 . . ?
Si1 C16B H16D 108.4 . . ?
H16C C16B H16D 107.4 . . ?
C16B C17B H17D 109.5 . . ?
C16B C17B H17E 109.5 . . ?
H17D C17B H17E 109.5 . . ?
C16B C17B H17F 109.5 . . ?
H17D C17B H17F 109.5 . . ?
H17E C17B H17F 109.5 . . ?
C19B C18B Si1 114.3(4) . . ?
C19B C18B H18C 108.7 . . ?
Si1 C18B H18C 108.7 . . ?
C19B C18B H18D 108.7 . . ?
Si1 C18B H18D 108.7 . . ?
H18C C18B H18D 107.6 . . ?
C18B C19B H19D 109.5 . . ?
C18B C19B H19E 109.5 . . ?
H19D C19B H19E 109.5 . . ?
C18B C19B H19F 109.5 . . ?
H19D C19B H19F 109.5 . . ?
H19E C19B H19F 109.5 . . ?
C21B C20B Si1 117.5(4) . . ?
C21B C20B H20C 107.9 . . ?
Si1 C20B H20C 107.9 . . ?
C21B C20B H20D 107.9 . . ?
Si1 C20B H20D 107.9 . . ?
H20C C20B H20D 107.2 . . ?
C20B C21B H21D 109.5 . . ?
C20B C21B H21E 109.5 . . ?
H21D C21B H21E 109.5 . . ?
C20B C21B H21F 109.5 . . ?
H21D C21B H21F 109.5 . . ?
H21E C21B H21F 109.5 . . ?


# Attachment 'TMTIPS.cif'

#\#CIF_1.1

# CIF produced by WinGX routine CIF_UPDATE
# Created on 2008-07-31 at 01:04:20
# Using CIFtbx version 2.6.2 16 Jun 1998

# Dictionary name : cif_core.dic
# Dictionary vers : 2.3
# Request file : c:\wingx\files\archive.dat
# CIF files read : shelxl dreduc sortav struct

data_shelxla
_database_code_depnum_ccdc_archive 'CCDC 717662'

_audit_creation_date             2008-07-31T01:04:20-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
# CHEMICAL INFORMATION #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
?
;
_chemical_formula_moiety         'C48 H62 Si2'
_chemical_formula_sum            'C48 H62 Si2'
_chemical_formula_weight         695.16
_chemical_compound_source        'synthesis as described'

#----------------------------------------------------------------------------#
# UNIT CELL INFORMATION #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.0135(6)
_cell_length_b                   10.2107(5)
_cell_length_c                   11.7743(8)
_cell_angle_alpha                70.694(2)
_cell_angle_beta                 84.900(2)
_cell_angle_gamma                82.342(5)
_cell_volume                     1012.41(11)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3080
_cell_measurement_theta_min      2
_cell_measurement_theta_max      25
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
# CRYSTAL INFORMATION #
#----------------------------------------------------------------------------#

_exptl_crystal_description       blade
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.04
_exptl_crystal_density_diffrn    1.14
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             378
_exptl_special_details           
;
?
;

#----------------------------------------------------------------------------#
# ABSORPTION CORRECTION #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    0.12
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
R.H. Blessing, Acta Cryst. (1995), A51, 33-38
;
_exptl_absorpt_correction_T_min  0.965
_exptl_absorpt_correction_T_max  0.9952

#----------------------------------------------------------------------------#
# DATA COLLECTION #
#----------------------------------------------------------------------------#

_diffrn_source                   'Enraf Nonius FR590'
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_orient_matrix_type       'by Nonius Collect from scalepack cell'
_diffrn_orient_matrix_ub_11      0.222615E-1
_diffrn_orient_matrix_ub_12      -0.24416E-1
_diffrn_orient_matrix_ub_13      -0.757597E-1
_diffrn_orient_matrix_ub_21      -0.13716E-2
_diffrn_orient_matrix_ub_22      -0.101194
_diffrn_orient_matrix_ub_23      0.47375E-1
_diffrn_orient_matrix_ub_31      -0.10983
_diffrn_orient_matrix_ub_32      0.80866E-2
_diffrn_orient_matrix_ub_33      -0.115398E-1
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_reflns_av_R_equivalents  0.098
_diffrn_reflns_av_unetI/netI     0.0753
_diffrn_reflns_number            5600
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         3.02
_diffrn_reflns_theta_max         25.5
_diffrn_reflns_theta_full        25.5
_diffrn_measured_fraction_theta_full 0.939
_diffrn_measured_fraction_theta_max 0.939
_reflns_number_total             3548
_reflns_number_gt                2149
_reflns_threshold_expression     >2sigma(I)
_diffrn_reflns_reduction_process 
;
Scaled and merged with SORTAV
R.H. Blessing, (1987) Cryst. Rev. 1, 3-58
R.H. Blessing, (1989) J. Appl. Cryst. 22, 396-397
;

#----------------------------------------------------------------------------#
# COMPUTER PROGRAMS USED #
#----------------------------------------------------------------------------#

_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction        
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_structure_solution    'SIR92 (Giacovazzo et al, 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

#----------------------------------------------------------------------------#
# REFINEMENT INFORMATION #
#----------------------------------------------------------------------------#

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0150P)^2^+7.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_coef       0.042(8)
_refine_ls_number_reflns         3548
_refine_ls_number_parameters     229
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1849
_refine_ls_R_factor_gt           0.118
_refine_ls_wR_factor_ref         0.2784
_refine_ls_wR_factor_gt          0.2393
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_restrained_S_all      1.025
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.001
_refine_diff_density_max         0.647
_refine_diff_density_min         -0.668
_refine_diff_density_rms         0.106

#----------------------------------------------------------------------------#
# ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS #
#----------------------------------------------------------------------------#

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 0 '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'

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4857(7) 0.2226(6) 0.2294(5) 0.0412(14) Uani 1 1 d . . .
C2 C 0.4928(6) 0.1505(6) 0.1650(5) 0.0363(13) Uani 1 1 d . . .
C3 C 0.4982(6) 0.0731(6) 0.0822(5) 0.0359(13) Uani 1 1 d . . .
C4 C 0.6220(6) 0.0723(5) 0.0023(5) 0.0352(13) Uani 1 1 d . . .
C5 C 0.7456(7) 0.1436(5) 0.0001(5) 0.0367(13) Uani 1 1 d . . .
H5 H 0.7454 0.1918 0.0567 0.044 Uiso 1 1 calc R . .
C6 C 0.8669(7) 0.1470(6) -0.0798(5) 0.0375(13) Uani 1 1 d . . .
C7 C 0.9929(7) 0.2199(6) -0.0793(5) 0.0395(14) Uani 1 1 d . . .
C8 C 1.1095(7) 0.2172(6) -0.1594(6) 0.0478(15) Uani 1 1 d . . .
H8 H 1.193 0.2648 -0.1589 0.057 Uiso 1 1 calc R . .
C9 C 1.1110(8) 0.1457(6) -0.2439(6) 0.0490(16) Uani 1 1 d . . .
H9 H 1.1958 0.1463 -0.2981 0.059 Uiso 1 1 calc R . .
C10 C 0.9949(7) 0.0761(6) -0.2500(5) 0.0438(15) Uani 1 1 d . . .
C11 C 0.8709(7) 0.0735(6) -0.1664(5) 0.0397(14) Uani 1 1 d . . .
C12 C 0.7501(7) 0.0018(5) -0.1647(5) 0.0367(13) Uani 1 1 d . . .
H12 H 0.7519 -0.0474 -0.2207 0.044 Uiso 1 1 calc R . .
C13 C 0.3756(6) 0.0014(5) 0.0835(5) 0.0346(13) Uani 1 1 d . . .
C14 C 0.9920(7) 0.2984(6) 0.0090(6) 0.0456(15) Uani 1 1 d . . .
H14A H 1.0887 0.3349 0.0025 0.068 Uiso 1 1 calc R . .
H14B H 0.975 0.2352 0.0911 0.068 Uiso 1 1 calc R . .
H14C H 0.9117 0.376 -0.009 0.068 Uiso 1 1 calc R . .
C15 C 0.9976(8) 0.0047(7) -0.3434(6) 0.0526(17) Uani 1 1 d . . .
H15A H 1.0944 0.0113 -0.3887 0.079 Uiso 1 1 calc R . .
H15B H 0.9171 0.05 -0.3987 0.079 Uiso 1 1 calc R . .
H15C H 0.983 -0.0938 -0.3036 0.079 Uiso 1 1 calc R . .
C16 C 0.5729(7) 0.3039(6) 0.4388(5) 0.0408(14) Uani 1 1 d . . .
H16 H 0.5434 0.3747 0.4808 0.049 Uiso 1 1 calc R . .
C17 C 0.7404(8) 0.3110(7) 0.4012(6) 0.0550(17) Uani 1 1 d . . .
H17A H 0.7544 0.4026 0.3422 0.082 Uiso 1 1 calc R . .
H17B H 0.7762 0.2378 0.3653 0.082 Uiso 1 1 calc R . .
H17C H 0.7973 0.2969 0.4723 0.082 Uiso 1 1 calc R . .
C18 C 0.5513(9) 0.1616(6) 0.5313(6) 0.0561(18) Uani 1 1 d . . .
H18A H 0.4449 0.1577 0.5563 0.084 Uiso 1 1 calc R . .
H18B H 0.6095 0.1475 0.6017 0.084 Uiso 1 1 calc R . .
H18C H 0.5856 0.0882 0.4955 0.084 Uiso 1 1 calc R . .
C19 C 0.4817(8) 0.5253(6) 0.1957(5) 0.0466(16) Uani 1 1 d . . .
H19 H 0.3923 0.5565 0.145 0.056 Uiso 1 1 calc R . .
C20 C 0.6210(8) 0.5227(7) 0.1089(6) 0.0524(17) Uani 1 1 d . . .
H20A H 0.6158 0.452 0.0702 0.079 Uiso 1 1 calc R . .
H20B H 0.7121 0.4999 0.1544 0.079 Uiso 1 1 calc R . .
H20C H 0.6232 0.6146 0.0471 0.079 Uiso 1 1 calc R . .
C21 C 0.4908(9) 0.6373(6) 0.2554(6) 0.0539(18) Uani 1 1 d . . .
H21A H 0.4026 0.6402 0.3099 0.081 Uiso 1 1 calc R . .
H21B H 0.4939 0.7286 0.193 0.081 Uiso 1 1 calc R . .
H21C H 0.5817 0.6143 0.3011 0.081 Uiso 1 1 calc R . .
C22 C 0.2485(7) 0.3428(7) 0.3658(6) 0.0477(16) Uani 1 1 d . . .
H22 H 0.2381 0.2423 0.411 0.057 Uiso 1 1 calc R . .
C23 C 0.1428(8) 0.3862(8) 0.2600(7) 0.064(2) Uani 1 1 d . . .
H23A H 0.1763 0.332 0.2058 0.096 Uiso 1 1 calc R . .
H23B H 0.1445 0.4859 0.2157 0.096 Uiso 1 1 calc R . .
H23C H 0.0405 0.3683 0.2915 0.096 Uiso 1 1 calc R . .
C24 C 0.1987(9) 0.4226(8) 0.4531(7) 0.066(2) Uani 1 1 d . . .
H24A H 0.2674 0.3931 0.5193 0.099 Uiso 1 1 calc R . .
H24B H 0.0971 0.4036 0.4856 0.099 Uiso 1 1 calc R . .
H24C H 0.1997 0.5229 0.411 0.099 Uiso 1 1 calc R . .
Si1 Si 0.4502(2) 0.35156(17) 0.30879(15) 0.0403(5) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C1 0.048(4) 0.044(3) 0.038(3) -0.022(3) 0.002(3) -0.011(3)
C2 0.044(3) 0.032(3) 0.038(3) -0.017(2) -0.002(2) -0.005(2)
C3 0.043(3) 0.039(3) 0.037(3) -0.025(3) -0.001(2) -0.008(2)
C4 0.043(3) 0.034(3) 0.035(3) -0.021(2) -0.004(2) 0.001(2)
C5 0.049(4) 0.035(3) 0.032(3) -0.017(2) -0.006(3) -0.003(3)
C6 0.043(3) 0.035(3) 0.038(3) -0.015(2) -0.003(3) -0.007(2)
C7 0.049(4) 0.033(3) 0.041(3) -0.015(3) -0.006(3) -0.007(3)
C8 0.050(4) 0.045(3) 0.053(4) -0.021(3) 0.005(3) -0.013(3)
C9 0.056(4) 0.040(3) 0.054(4) -0.020(3) 0.010(3) -0.009(3)
C10 0.058(4) 0.036(3) 0.038(3) -0.016(3) 0.004(3) -0.003(3)
C11 0.051(4) 0.033(3) 0.036(3) -0.016(2) 0.000(3) 0.001(3)
C12 0.051(4) 0.034(3) 0.032(3) -0.019(2) -0.002(3) -0.006(3)
C13 0.047(3) 0.028(3) 0.033(3) -0.017(2) -0.005(2) 0.000(2)
C14 0.052(4) 0.038(3) 0.050(4) -0.017(3) 0.000(3) -0.009(3)
C15 0.065(5) 0.051(4) 0.047(4) -0.029(3) 0.013(3) -0.004(3)
C16 0.053(4) 0.036(3) 0.039(3) -0.020(3) -0.002(3) -0.005(3)
C17 0.059(4) 0.047(4) 0.060(4) -0.019(3) -0.007(3) -0.005(3)
C18 0.073(5) 0.039(3) 0.054(4) -0.013(3) -0.011(4) -0.002(3)
C19 0.064(4) 0.041(3) 0.042(3) -0.025(3) -0.006(3) 0.000(3)
C20 0.073(5) 0.050(4) 0.040(3) -0.020(3) 0.001(3) -0.014(3)
C21 0.093(5) 0.029(3) 0.044(4) -0.017(3) -0.008(3) -0.006(3)
C22 0.046(4) 0.049(4) 0.051(4) -0.024(3) 0.007(3) -0.005(3)
C23 0.056(5) 0.071(5) 0.068(5) -0.026(4) -0.011(4) 0.001(4)
C24 0.065(5) 0.072(5) 0.068(5) -0.039(4) 0.015(4) -0.002(4)
Si1 0.0489(11) 0.0412(9) 0.0394(9) -0.0245(7) 0.0014(7) -0.0068(7)

#----------------------------------------------------------------------------#
# MOLECULAR GEOMETRY #
#----------------------------------------------------------------------------#

_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
C1 C2 1.213(7) . ?
C1 Si1 1.832(6) . ?
C2 C3 1.438(7) . ?
C3 C4 1.395(8) . ?
C3 C13 1.401(8) . ?
C4 C5 1.403(8) . ?
C4 C13 1.443(7) 2_655 ?
C5 C6 1.374(8) . ?
C5 H5 0.95 . ?
C6 C7 1.440(8) . ?
C6 C11 1.447(7) . ?
C7 C8 1.352(8) . ?
C7 C14 1.507(8) . ?
C8 C9 1.413(8) . ?
C8 H8 0.95 . ?
C9 C10 1.360(9) . ?
C9 H9 0.95 . ?
C10 C11 1.420(8) . ?
C10 C15 1.504(8) . ?
C11 C12 1.387(8) . ?
C12 C13 1.412(8) 2_655 ?
C12 H12 0.95 . ?
C13 C12 1.412(8) 2_655 ?
C13 C4 1.443(7) 2_655 ?
C14 H14A 0.98 . ?
C14 H14B 0.98 . ?
C14 H14C 0.98 . ?
C15 H15A 0.98 . ?
C15 H15B 0.98 . ?
C15 H15C 0.98 . ?
C16 C18 1.526(8) . ?
C16 C17 1.540(9) . ?
C16 Si1 1.862(6) . ?
C16 H16 1 . ?
C17 H17A 0.98 . ?
C17 H17B 0.98 . ?
C17 H17C 0.98 . ?
C18 H18A 0.98 . ?
C18 H18B 0.98 . ?
C18 H18C 0.98 . ?
C19 C21 1.540(7) . ?
C19 C20 1.550(9) . ?
C19 Si1 1.872(6) . ?
C19 H19 1 . ?
C20 H20A 0.98 . ?
C20 H20B 0.98 . ?
C20 H20C 0.98 . ?
C21 H21A 0.98 . ?
C21 H21B 0.98 . ?
C21 H21C 0.98 . ?
C22 C24 1.517(8) . ?
C22 C23 1.546(9) . ?
C22 Si1 1.885(6) . ?
C22 H22 1 . ?
C23 H23A 0.98 . ?
C23 H23B 0.98 . ?
C23 H23C 0.98 . ?
C24 H24A 0.98 . ?
C24 H24B 0.98 . ?
C24 H24C 0.98 . ?

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
C2 C1 Si1 169.9(6) . . ?
C1 C2 C3 176.2(6) . . ?
C4 C3 C13 121.7(5) . . ?
C4 C3 C2 120.2(5) . . ?
C13 C3 C2 118.1(5) . . ?
C3 C4 C5 122.3(5) . . ?
C3 C4 C13 119.9(5) . 2_655 ?
C5 C4 C13 117.8(5) . 2_655 ?
C6 C5 C4 123.2(5) . . ?
C6 C5 H5 118.4 . . ?
C4 C5 H5 118.4 . . ?
C5 C6 C7 122.1(5) . . ?
C5 C6 C11 119.6(5) . . ?
C7 C6 C11 118.3(5) . . ?
C8 C7 C6 118.9(5) . . ?
C8 C7 C14 121.4(5) . . ?
C6 C7 C14 119.7(5) . . ?
C7 C8 C9 122.0(6) . . ?
C7 C8 H8 119 . . ?
C9 C8 H8 119 . . ?
C10 C9 C8 122.0(6) . . ?
C10 C9 H9 119 . . ?
C8 C9 H9 119 . . ?
C9 C10 C11 118.2(5) . . ?
C9 C10 C15 120.9(6) . . ?
C11 C10 C15 121.0(6) . . ?
C12 C11 C10 121.6(5) . . ?
C12 C11 C6 117.8(5) . . ?
C10 C11 C6 120.5(5) . . ?
C11 C12 C13 122.9(5) . 2_655 ?
C11 C12 H12 118.5 . . ?
C13 C12 H12 118.5 2_655 . ?
C3 C13 C12 123.0(5) . 2_655 ?
C3 C13 C4 118.3(5) . 2_655 ?
C12 C13 C4 118.6(5) 2_655 2_655 ?
C7 C14 H14A 109.5 . . ?
C7 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C7 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C10 C15 H15A 109.5 . . ?
C10 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C10 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C18 C16 C17 109.5(5) . . ?
C18 C16 Si1 113.4(4) . . ?
C17 C16 Si1 113.4(4) . . ?
C18 C16 H16 106.7 . . ?
C17 C16 H16 106.7 . . ?
Si1 C16 H16 106.7 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C21 C19 C20 109.0(5) . . ?
C21 C19 Si1 112.3(4) . . ?
C20 C19 Si1 114.5(4) . . ?
C21 C19 H19 106.9 . . ?
C20 C19 H19 106.9 . . ?
Si1 C19 H19 106.9 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C24 C22 C23 111.1(6) . . ?
C24 C22 Si1 114.8(5) . . ?
C23 C22 Si1 110.9(5) . . ?
C24 C22 H22 106.5 . . ?
C23 C22 H22 106.5 . . ?
Si1 C22 H22 106.5 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C1 Si1 C16 110.9(3) . . ?
C1 Si1 C19 107.0(3) . . ?
C16 Si1 C19 112.3(3) . . ?
C1 Si1 C22 104.6(3) . . ?
C16 Si1 C22 109.5(3) . . ?
C19 Si1 C22 112.3(3) . . ?