# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_41007ta
_database_code_depnum_ccdc_archive 'CCDC 1050753'
_audit_update_record             
;
2015-02-21 deposited with the CCDC.
2015-04-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
'1,2-bis(indol-2-yl)benzene dimethylsilyl complex'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H20 N2 Si, C H Cl3'
_chemical_formula_sum            'C25 H21 Cl3 N2 Si'
_chemical_formula_weight         483.88

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c '
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14

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

_cell_length_a                   10.6810(19)
_cell_length_b                   19.442(4)
_cell_length_c                   11.152(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.368(4)
_cell_angle_gamma                90.00
_cell_volume                     2270.4(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    2639
_cell_measurement_theta_min      25.1
_cell_measurement_theta_max      68.2

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.416
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1000
_exptl_absorpt_coefficient_mu    4.281
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4142
_exptl_absorpt_correction_T_max  0.7537
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     1.54187
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.814
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            14603
_diffrn_reflns_av_R_equivalents  0.0203
_diffrn_reflns_av_sigmaI/netI    0.0162
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         6.80
_diffrn_reflns_theta_max         65.94
_reflns_number_total             3848
_reflns_number_gt                3631
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0448P)²+1.0494P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3848
_refine_ls_number_parameters     282
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0290
_refine_ls_R_factor_gt           0.0277
_refine_ls_wR_factor_ref         0.0758
_refine_ls_wR_factor_gt          0.0751
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.000
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.17368(12) 0.28091(7) 0.02265(13) 0.0129(3) Uani 1 1 d . . .
C2 C 0.20075(13) 0.33751(7) 0.10119(14) 0.0164(3) Uani 1 1 d . . .
H1 H 0.2591 0.3338 0.1771 0.020 Uiso 1 1 calc R . .
C3 C 0.13980(14) 0.39916(7) 0.06473(14) 0.0199(3) Uani 1 1 d . . .
H2 H 0.1573 0.4382 0.1166 0.024 Uiso 1 1 calc R . .
C4 C 0.05327(14) 0.40542(7) -0.04653(14) 0.0206(3) Uani 1 1 d . . .
H3 H 0.0127 0.4483 -0.0687 0.025 Uiso 1 1 calc R . .
C5 C 0.02625(14) 0.34993(8) -0.12435(14) 0.0182(3) Uani 1 1 d . . .
H4 H -0.0328 0.3543 -0.1998 0.022 Uiso 1 1 calc R . .
C6 C 0.08734(12) 0.28691(7) -0.09040(13) 0.0137(3) Uani 1 1 d . . .
C7 C 0.08033(12) 0.22071(7) -0.14750(13) 0.0140(3) Uani 1 1 d . . .
H5 H 0.0301 0.2089 -0.2249 0.017 Uiso 1 1 calc R . .
C8 C 0.15890(12) 0.17771(7) -0.07058(13) 0.0124(3) Uani 1 1 d . . .
C9 C 0.17812(13) 0.10351(7) -0.09059(12) 0.0125(3) Uani 1 1 d . . .
C10 C 0.06815(13) 0.06311(7) -0.12340(13) 0.0158(3) Uani 1 1 d . . .
H6 H -0.0133 0.0837 -0.1277 0.019 Uiso 1 1 calc R . .
C11 C 0.07572(13) -0.00625(7) -0.14974(13) 0.0173(3) Uani 1 1 d . . .
H7 H 0.0001 -0.0328 -0.1721 0.021 Uiso 1 1 calc R . .
C12 C 0.19452(14) -0.03672(7) -0.14335(13) 0.0162(3) Uani 1 1 d . . .
H8 H 0.2004 -0.0842 -0.1614 0.019 Uiso 1 1 calc R . .
C13 C 0.30447(13) 0.00246(7) -0.11052(12) 0.0141(3) Uani 1 1 d . . .
H9 H 0.3854 -0.0187 -0.1064 0.017 Uiso 1 1 calc R . .
C14 C 0.29873(12) 0.07257(7) -0.08333(12) 0.0117(3) Uani 1 1 d . . .
C15 C 0.42122(12) 0.11011(7) -0.05118(12) 0.0117(3) Uani 1 1 d . . .
C16 C 0.51979(13) 0.10855(7) -0.11243(13) 0.0145(3) Uani 1 1 d . . .
H10 H 0.5220 0.0836 -0.1852 0.017 Uiso 1 1 calc R . .
C17 C 0.61909(13) 0.15133(7) -0.04711(13) 0.0148(3) Uani 1 1 d . . .
C18 C 0.57576(12) 0.17674(7) 0.05646(13) 0.0134(3) Uani 1 1 d . . .
C19 C 0.65398(13) 0.21779(7) 0.14291(14) 0.0176(3) Uani 1 1 d . . .
H11 H 0.6258 0.2337 0.2137 0.021 Uiso 1 1 calc R . .
C20 C 0.77397(14) 0.23459(8) 0.12229(15) 0.0220(3) Uani 1 1 d . . .
H12 H 0.8287 0.2624 0.1801 0.026 Uiso 1 1 calc R . .
C21 C 0.81684(14) 0.21151(8) 0.01811(16) 0.0237(3) Uani 1 1 d . . .
H13 H 0.8990 0.2247 0.0057 0.028 Uiso 1 1 calc R . .
C22 C 0.74092(14) 0.17004(8) -0.06618(15) 0.0206(3) Uani 1 1 d . . .
H14 H 0.7703 0.1542 -0.1364 0.025 Uiso 1 1 calc R . .
C23 C 0.40351(13) 0.23125(7) 0.27109(13) 0.0174(3) Uani 1 1 d . . .
H16 H 0.4370 0.2727 0.2386 0.026 Uiso 1 1 calc R . .
H17 H 0.4724 0.2082 0.3279 0.026 Uiso 1 1 calc R . .
H18 H 0.3355 0.2441 0.3144 0.026 Uiso 1 1 calc R . .
C24 C 0.28063(13) 0.09316(7) 0.20643(13) 0.0167(3) Uani 1 1 d . . .
H19 H 0.2171 0.1050 0.2556 0.025 Uiso 1 1 calc R . .
H20 H 0.3525 0.0692 0.2578 0.025 Uiso 1 1 calc R . .
H21 H 0.2415 0.0631 0.1388 0.025 Uiso 1 1 calc R . .
N1 N 0.21790(10) 0.21258(6) 0.03589(11) 0.0124(2) Uani 1 1 d . . .
N2 N 0.45251(10) 0.15131(6) 0.05411(10) 0.0120(2) Uani 1 1 d . . .
Si1 Si 0.33885(3) 0.172705(18) 0.14431(3) 0.01074(10) Uani 1 1 d . . .
C25 C 0.64642(16) 0.39106(8) 0.01399(15) 0.0251(3) Uani 1 1 d . . .
H15 H 0.6736 0.3418 0.0138 0.030 Uiso 1 1 calc R . .
Cl1 Cl 0.65268(4) 0.42674(2) -0.12953(4) 0.03275(12) Uani 1 1 d . . .
Cl2 Cl 0.48958(4) 0.39355(2) 0.04125(4) 0.03655(13) Uani 1 1 d . . .
Cl3 Cl 0.75288(5) 0.43431(2) 0.13001(4) 0.04229(14) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.401(2) . ?
C1 N1 1.4079(17) . ?
C1 C6 1.412(2) . ?
C2 C3 1.386(2) . ?
C2 H1 0.9500 . ?
C3 C4 1.399(2) . ?
C3 H2 0.9500 . ?
C4 C5 1.379(2) . ?
C4 H3 0.9500 . ?
C5 C6 1.405(2) . ?
C5 H4 0.9500 . ?
C6 C7 1.431(2) . ?
C7 C8 1.3621(19) . ?
C7 H5 0.9500 . ?
C8 N1 1.4042(18) . ?
C8 C9 1.4802(19) . ?
C9 C10 1.4003(19) . ?
C9 C14 1.4095(19) . ?
C10 C11 1.386(2) . ?
C10 H6 0.9500 . ?
C11 C12 1.389(2) . ?
C11 H7 0.9500 . ?
C12 C13 1.387(2) . ?
C12 H8 0.9500 . ?
C13 C14 1.4003(19) . ?
C13 H9 0.9500 . ?
C14 C15 1.4793(18) . ?
C15 C16 1.364(2) . ?
C15 N2 1.4062(18) . ?
C16 C17 1.429(2) . ?
C16 H10 0.9500 . ?
C17 C22 1.407(2) . ?
C17 C18 1.415(2) . ?
C18 C19 1.395(2) . ?
C18 N2 1.4016(17) . ?
C19 C20 1.385(2) . ?
C19 H11 0.9500 . ?
C20 C21 1.404(2) . ?
C20 H12 0.9500 . ?
C21 C22 1.375(2) . ?
C21 H13 0.9500 . ?
C22 H14 0.9500 . ?
C23 Si1 1.8403(14) . ?
C23 H16 0.9800 . ?
C23 H17 0.9800 . ?
C23 H18 0.9800 . ?
C24 Si1 1.8515(14) . ?
C24 H19 0.9800 . ?
C24 H20 0.9800 . ?
C24 H21 0.9800 . ?
N1 Si1 1.7652(12) . ?
N2 Si1 1.7721(12) . ?
C25 Cl1 1.7577(17) . ?
C25 Cl3 1.7591(17) . ?
C25 Cl2 1.7611(17) . ?
C25 H15 1.0000 . ?

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 N1 130.70(13) . . ?
C2 C1 C6 120.75(12) . . ?
N1 C1 C6 108.54(12) . . ?
C3 C2 C1 117.95(14) . . ?
C3 C2 H1 121.0 . . ?
C1 C2 H1 121.0 . . ?
C2 C3 C4 121.70(14) . . ?
C2 C3 H2 119.1 . . ?
C4 C3 H2 119.1 . . ?
C5 C4 C3 120.66(13) . . ?
C5 C4 H3 119.7 . . ?
C3 C4 H3 119.7 . . ?
C4 C5 C6 118.96(14) . . ?
C4 C5 H4 120.5 . . ?
C6 C5 H4 120.5 . . ?
C5 C6 C1 119.97(13) . . ?
C5 C6 C7 133.13(13) . . ?
C1 C6 C7 106.89(12) . . ?
C8 C7 C6 107.46(12) . . ?
C8 C7 H5 126.3 . . ?
C6 C7 H5 126.3 . . ?
C7 C8 N1 110.75(12) . . ?
C7 C8 C9 126.14(13) . . ?
N1 C8 C9 123.07(12) . . ?
C10 C9 C14 119.06(12) . . ?
C10 C9 C8 116.86(12) . . ?
C14 C9 C8 124.03(12) . . ?
C11 C10 C9 121.34(13) . . ?
C11 C10 H6 119.3 . . ?
C9 C10 H6 119.3 . . ?
C10 C11 C12 119.66(13) . . ?
C10 C11 H7 120.2 . . ?
C12 C11 H7 120.2 . . ?
C13 C12 C11 119.77(13) . . ?
C13 C12 H8 120.1 . . ?
C11 C12 H8 120.1 . . ?
C12 C13 C14 121.39(13) . . ?
C12 C13 H9 119.3 . . ?
C14 C13 H9 119.3 . . ?
C13 C14 C9 118.78(12) . . ?
C13 C14 C15 117.28(12) . . ?
C9 C14 C15 123.92(12) . . ?
C16 C15 N2 110.55(12) . . ?
C16 C15 C14 126.94(13) . . ?
N2 C15 C14 122.46(12) . . ?
C15 C16 C17 107.49(12) . . ?
C15 C16 H10 126.3 . . ?
C17 C16 H10 126.3 . . ?
C22 C17 C18 119.61(14) . . ?
C22 C17 C16 133.54(14) . . ?
C18 C17 C16 106.85(12) . . ?
C19 C18 N2 130.31(13) . . ?
C19 C18 C17 121.06(13) . . ?
N2 C18 C17 108.58(12) . . ?
C20 C19 C18 117.89(14) . . ?
C20 C19 H11 121.1 . . ?
C18 C19 H11 121.1 . . ?
C19 C20 C21 121.71(14) . . ?
C19 C20 H12 119.1 . . ?
C21 C20 H12 119.1 . . ?
C22 C21 C20 120.57(13) . . ?
C22 C21 H13 119.7 . . ?
C20 C21 H13 119.7 . . ?
C21 C22 C17 119.11(15) . . ?
C21 C22 H14 120.4 . . ?
C17 C22 H14 120.4 . . ?
Si1 C23 H16 109.5 . . ?
Si1 C23 H17 109.5 . . ?
H16 C23 H17 109.5 . . ?
Si1 C23 H18 109.5 . . ?
H16 C23 H18 109.5 . . ?
H17 C23 H18 109.5 . . ?
Si1 C24 H19 109.5 . . ?
Si1 C24 H20 109.5 . . ?
H19 C24 H20 109.5 . . ?
Si1 C24 H21 109.5 . . ?
H19 C24 H21 109.5 . . ?
H20 C24 H21 109.5 . . ?
C8 N1 C1 106.35(11) . . ?
C8 N1 Si1 120.86(9) . . ?
C1 N1 Si1 132.17(10) . . ?
C18 N2 C15 106.52(11) . . ?
C18 N2 Si1 130.74(10) . . ?
C15 N2 Si1 122.08(9) . . ?
N1 Si1 N2 101.83(6) . . ?
N1 Si1 C23 111.58(6) . . ?
N2 Si1 C23 112.70(6) . . ?
N1 Si1 C24 111.64(6) . . ?
N2 Si1 C24 109.54(6) . . ?
C23 Si1 C24 109.39(7) . . ?
Cl1 C25 Cl3 110.24(9) . . ?
Cl1 C25 Cl2 110.77(9) . . ?
Cl3 C25 Cl2 111.03(9) . . ?
Cl1 C25 H15 108.2 . . ?
Cl3 C25 H15 108.2 . . ?
Cl2 C25 H15 108.2 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 C3 -178.43(13) . . . . ?
C6 C1 C2 C3 0.3(2) . . . . ?
C1 C2 C3 C4 0.3(2) . . . . ?
C2 C3 C4 C5 -0.3(2) . . . . ?
C3 C4 C5 C6 -0.2(2) . . . . ?
C4 C5 C6 C1 0.8(2) . . . . ?
C4 C5 C6 C7 179.21(14) . . . . ?
C2 C1 C6 C5 -0.9(2) . . . . ?
N1 C1 C6 C5 178.14(12) . . . . ?
C2 C1 C6 C7 -179.66(12) . . . . ?
N1 C1 C6 C7 -0.65(14) . . . . ?
C5 C6 C7 C8 -178.26(14) . . . . ?
C1 C6 C7 C8 0.31(15) . . . . ?
C6 C7 C8 N1 0.15(15) . . . . ?
C6 C7 C8 C9 177.79(12) . . . . ?
C7 C8 C9 C10 -49.5(2) . . . . ?
N1 C8 C9 C10 127.85(14) . . . . ?
C7 C8 C9 C14 127.85(15) . . . . ?
N1 C8 C9 C14 -54.8(2) . . . . ?
C14 C9 C10 C11 -0.6(2) . . . . ?
C8 C9 C10 C11 176.94(13) . . . . ?
C9 C10 C11 C12 0.2(2) . . . . ?
C10 C11 C12 C13 0.1(2) . . . . ?
C11 C12 C13 C14 0.0(2) . . . . ?
C12 C13 C14 C9 -0.4(2) . . . . ?
C12 C13 C14 C15 -179.06(12) . . . . ?
C10 C9 C14 C13 0.7(2) . . . . ?
C8 C9 C14 C13 -176.64(13) . . . . ?
C10 C9 C14 C15 179.21(13) . . . . ?
C8 C9 C14 C15 1.9(2) . . . . ?
C13 C14 C15 C16 47.86(19) . . . . ?
C9 C14 C15 C16 -130.70(15) . . . . ?
C13 C14 C15 N2 -129.39(14) . . . . ?
C9 C14 C15 N2 52.05(19) . . . . ?
N2 C15 C16 C17 -1.24(15) . . . . ?
C14 C15 C16 C17 -178.76(12) . . . . ?
C15 C16 C17 C22 -179.26(15) . . . . ?
C15 C16 C17 C18 1.32(15) . . . . ?
C22 C17 C18 C19 -2.7(2) . . . . ?
C16 C17 C18 C19 176.81(12) . . . . ?
C22 C17 C18 N2 179.56(12) . . . . ?
C16 C17 C18 N2 -0.92(15) . . . . ?
N2 C18 C19 C20 179.07(13) . . . . ?
C17 C18 C19 C20 1.9(2) . . . . ?
C18 C19 C20 C21 0.1(2) . . . . ?
C19 C20 C21 C22 -1.2(2) . . . . ?
C20 C21 C22 C17 0.4(2) . . . . ?
C18 C17 C22 C21 1.5(2) . . . . ?
C16 C17 C22 C21 -177.86(15) . . . . ?
C7 C8 N1 C1 -0.55(15) . . . . ?
C9 C8 N1 C1 -178.28(12) . . . . ?
C7 C8 N1 Si1 -172.61(9) . . . . ?
C9 C8 N1 Si1 9.66(17) . . . . ?
C2 C1 N1 C8 179.61(14) . . . . ?
C6 C1 N1 C8 0.73(14) . . . . ?
C2 C1 N1 Si1 -9.6(2) . . . . ?
C6 C1 N1 Si1 171.53(10) . . . . ?
C19 C18 N2 C15 -177.26(14) . . . . ?
C17 C18 N2 C15 0.19(14) . . . . ?
C19 C18 N2 Si1 12.2(2) . . . . ?
C17 C18 N2 Si1 -170.37(10) . . . . ?
C16 C15 N2 C18 0.66(15) . . . . ?
C14 C15 N2 C18 178.31(11) . . . . ?
C16 C15 N2 Si1 172.23(9) . . . . ?
C14 C15 N2 Si1 -10.12(17) . . . . ?
C8 N1 Si1 N2 57.21(11) . . . . ?
C1 N1 Si1 N2 -112.49(12) . . . . ?
C8 N1 Si1 C23 177.67(10) . . . . ?
C1 N1 Si1 C23 7.97(14) . . . . ?
C8 N1 Si1 C24 -59.59(12) . . . . ?
C1 N1 Si1 C24 130.71(12) . . . . ?
C18 N2 Si1 N1 112.34(12) . . . . ?
C15 N2 Si1 N1 -56.97(11) . . . . ?
C18 N2 Si1 C23 -7.33(14) . . . . ?
C15 N2 Si1 C23 -176.64(10) . . . . ?
C18 N2 Si1 C24 -129.36(12) . . . . ?
C15 N2 Si1 C24 61.34(12) . . . . ?

_diffrn_measured_fraction_theta_max 0.974
_diffrn_reflns_theta_full        65.94
_diffrn_measured_fraction_theta_full 0.973
_refine_diff_density_max         0.302
_refine_diff_density_min         -0.341
_refine_diff_density_rms         0.049
_exptl_crystal_recrystallization_method 'Vapour Deposition'
####################################################################### 
# 
# 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_30826ta
_database_code_depnum_ccdc_archive 'CCDC 1050754'
_audit_update_record             
;
2015-02-21 deposited with the CCDC.
2015-04-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
'1,2-bis(indol-2-yl)benzene diethylsilyl complex'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C26 H24 N2 Si'
_chemical_formula_sum            'C26 H24 N2 Si'
_chemical_formula_weight         392.56

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/a'
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_Int_Tables_number      14

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

_cell_length_a                   14.1331(3)
_cell_length_b                   7.81440(10)
_cell_length_c                   18.4958(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 102.1861(10)
_cell_angle_gamma                90.00
_cell_volume                     1996.68(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    14936
_cell_measurement_theta_min      3.2
_cell_measurement_theta_max      68.21

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.306
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             832
_exptl_absorpt_coefficient_mu    1.136
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7269
_exptl_absorpt_correction_T_max  0.8949
_exptl_absorpt_process_details   
;Higashi, T. (1995). 
 Program for Absorption Correction.
 Rigaku Corporation, Tokyo, Japan.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     1.54187
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.00
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            21399
_diffrn_reflns_av_R_equivalents  0.0416
_diffrn_reflns_av_sigmaI/netI    0.0365
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         4.89
_diffrn_reflns_theta_max         68.25
_reflns_number_total             3653
_reflns_number_gt                2941
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0392P)²+1.6556P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3653
_refine_ls_number_parameters     264
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0461
_refine_ls_wR_factor_ref         0.1126
_refine_ls_wR_factor_gt          0.1035
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_restrained_S_all      1.073
_refine_ls_shift/su_max          0.000
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.77104(4) 0.58457(8) 0.23250(3) 0.02359(16) Uani 1 1 d . . .
N1 N 0.78601(12) 0.4102(2) 0.17544(9) 0.0236(4) Uani 1 1 d . . .
N2 N 0.79119(12) 0.4921(2) 0.32129(9) 0.0239(4) Uani 1 1 d . . .
C4 C 0.88006(14) 0.4140(3) 0.35293(11) 0.0239(5) Uani 1 1 d . . .
C5 C 0.87344(14) 0.3160(3) 0.18702(11) 0.0251(5) Uani 1 1 d . . .
C6 C 0.74053(15) 0.3437(3) 0.49418(12) 0.0287(5) Uani 1 1 d . . .
H1 H 0.7754 0.2838 0.5361 0.034 Uiso 1 1 calc R . .
C7 C 0.59414(15) 0.4788(3) 0.42853(11) 0.0296(5) Uani 1 1 d . . .
H2 H 0.5289 0.5106 0.4272 0.036 Uiso 1 1 calc R . .
C8 C 0.87782(15) 0.3501(3) 0.42101(11) 0.0270(5) Uani 1 1 d . . .
H3 H 0.9292 0.2926 0.4533 0.032 Uiso 1 1 calc R . .
C9 C 0.86634(15) 0.1877(3) 0.13632(11) 0.0282(5) Uani 1 1 d . . .
H4 H 0.9156 0.1076 0.1326 0.034 Uiso 1 1 calc R . .
C10 C 0.86467(15) 0.7496(3) 0.22805(11) 0.0269(5) Uani 1 1 d . . .
H5 H 0.9266 0.6919 0.2264 0.032 Uiso 1 1 calc R . .
H6 H 0.8447 0.8163 0.1819 0.032 Uiso 1 1 calc R . .
C11 C 0.96431(15) 0.4082(3) 0.31721(11) 0.0244(5) Uani 1 1 d . . .
C12 C 0.78452(15) 0.3849(3) 0.43518(11) 0.0250(5) Uani 1 1 d . . .
C13 C 1.14017(15) 0.4246(3) 0.33901(12) 0.0288(5) Uani 1 1 d . . .
H7 H 1.2005 0.4468 0.3716 0.035 Uiso 1 1 calc R . .
C14 C 1.04915(15) 0.3458(3) 0.21967(12) 0.0280(5) Uani 1 1 d . . .
H8 H 1.0479 0.3149 0.1698 0.034 Uiso 1 1 calc R . .
C15 C 0.77202(15) 0.1946(3) 0.08985(11) 0.0265(5) Uani 1 1 d . . .
C16 C 0.64940(15) 0.6830(3) 0.20679(11) 0.0272(5) Uani 1 1 d . . .
H9 H 0.6000 0.5912 0.1986 0.033 Uiso 1 1 calc R . .
H10 H 0.6383 0.7544 0.2485 0.033 Uiso 1 1 calc R . .
C17 C 0.64576(15) 0.3917(3) 0.49010(11) 0.0305(5) Uani 1 1 d . . .
H11 H 0.6152 0.3650 0.5298 0.037 Uiso 1 1 calc R . .
C18 C 1.13723(15) 0.3748(3) 0.26661(12) 0.0287(5) Uani 1 1 d . . .
H12 H 1.1956 0.3608 0.2495 0.034 Uiso 1 1 calc R . .
C19 C 0.72305(15) 0.3331(3) 0.11499(10) 0.0243(5) Uani 1 1 d . . .
C20 C 0.63552(15) 0.5204(3) 0.36924(11) 0.0267(5) Uani 1 1 d . . .
H13 H 0.5998 0.5796 0.3274 0.032 Uiso 1 1 calc R . .
C21 C 0.73150(14) 0.4722(3) 0.37313(11) 0.0242(5) Uani 1 1 d . . .
C22 C 0.72525(16) 0.0968(3) 0.02941(12) 0.0317(5) Uani 1 1 d . . .
H14 H 0.7576 0.0038 0.0121 0.038 Uiso 1 1 calc R . .
C23 C 0.96105(14) 0.3603(3) 0.24307(11) 0.0249(5) Uani 1 1 d . . .
C24 C 1.05477(15) 0.4418(3) 0.36339(11) 0.0272(5) Uani 1 1 d . . .
H15 H 1.0573 0.4773 0.4129 0.033 Uiso 1 1 calc R . .
C25 C 0.63142(17) 0.1374(3) -0.00464(12) 0.0357(6) Uani 1 1 d . . .
H16 H 0.5991 0.0722 -0.0458 0.043 Uiso 1 1 calc R . .
C26 C 0.58345(16) 0.2739(3) 0.02102(11) 0.0321(5) Uani 1 1 d . . .
H17 H 0.5187 0.2994 -0.0030 0.039 Uiso 1 1 calc R . .
C27 C 0.62799(15) 0.3725(3) 0.08046(11) 0.0278(5) Uani 1 1 d . . .
H18 H 0.5947 0.4649 0.0974 0.033 Uiso 1 1 calc R . .
C1 C 0.88061(16) 0.8721(3) 0.29413(13) 0.0346(5) Uani 1 1 d . . .
H19 H 0.8180 0.9152 0.3010 0.052 Uiso 1 1 calc R . .
H20 H 0.9210 0.9682 0.2849 0.052 Uiso 1 1 calc R . .
H21 H 0.9131 0.8111 0.3388 0.052 Uiso 1 1 calc R . .
C32 C 0.63607(16) 0.7949(3) 0.13654(11) 0.0326(5) Uani 1 1 d . . .
H22 H 0.6771 0.8969 0.1469 0.049 Uiso 1 1 calc R . .
H23 H 0.5681 0.8297 0.1216 0.049 Uiso 1 1 calc R . .
H24 H 0.6546 0.7292 0.0966 0.049 Uiso 1 1 calc R . .


_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 N2 1.7614(17) . ?
Si1 N1 1.7632(18) . ?
Si1 C16 1.852(2) . ?
Si1 C10 1.862(2) . ?
N1 C19 1.409(2) . ?
N1 C5 1.415(3) . ?
N2 C4 1.408(3) . ?
N2 C21 1.413(2) . ?
C4 C8 1.361(3) . ?
C4 C11 1.479(3) . ?
C5 C9 1.362(3) . ?
C5 C23 1.479(3) . ?
C6 C17 1.378(3) . ?
C6 C12 1.403(3) . ?
C6 H1 0.9500 . ?
C7 C20 1.386(3) . ?
C7 C17 1.394(3) . ?
C7 H2 0.9500 . ?
C8 C12 1.424(3) . ?
C8 H3 0.9500 . ?
C9 C15 1.427(3) . ?
C9 H4 0.9500 . ?
C10 C1 1.531(3) . ?
C10 H5 0.9900 . ?
C10 H6 0.9900 . ?
C11 C24 1.404(3) . ?
C11 C23 1.413(3) . ?
C12 C21 1.408(3) . ?
C13 C24 1.381(3) . ?
C13 C18 1.387(3) . ?
C13 H7 0.9500 . ?
C14 C18 1.378(3) . ?
C14 C23 1.406(3) . ?
C14 H8 0.9500 . ?
C15 C22 1.399(3) . ?
C15 C19 1.415(3) . ?
C16 C32 1.544(3) . ?
C16 H9 0.9900 . ?
C16 H10 0.9900 . ?
C17 H11 0.9500 . ?
C18 H12 0.9500 . ?
C19 C27 1.395(3) . ?
C20 C21 1.395(3) . ?
C20 H13 0.9500 . ?
C22 C25 1.380(3) . ?
C22 H14 0.9500 . ?
C24 H15 0.9500 . ?
C25 C26 1.399(3) . ?
C25 H16 0.9500 . ?
C26 C27 1.381(3) . ?
C26 H17 0.9500 . ?
C27 H18 0.9500 . ?
C1 H19 0.9800 . ?
C1 H20 0.9800 . ?
C1 H21 0.9800 . ?
C32 H22 0.9800 . ?
C32 H23 0.9800 . ?
C32 H24 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
N2 Si1 N1 102.99(8) . . ?
N2 Si1 C16 111.62(9) . . ?
N1 Si1 C16 112.93(9) . . ?
N2 Si1 C10 110.41(9) . . ?
N1 Si1 C10 109.43(9) . . ?
C16 Si1 C10 109.32(10) . . ?
C19 N1 C5 106.40(17) . . ?
C19 N1 Si1 132.07(14) . . ?
C5 N1 Si1 121.51(13) . . ?
C4 N2 C21 106.16(16) . . ?
C4 N2 Si1 121.32(13) . . ?
C21 N2 Si1 132.50(14) . . ?
C8 C4 N2 110.53(17) . . ?
C8 C4 C11 125.45(19) . . ?
N2 C4 C11 124.00(17) . . ?
C9 C5 N1 110.10(18) . . ?
C9 C5 C23 125.77(19) . . ?
N1 C5 C23 124.00(19) . . ?
C17 C6 C12 118.7(2) . . ?
C17 C6 H1 120.6 . . ?
C12 C6 H1 120.6 . . ?
C20 C7 C17 121.7(2) . . ?
C20 C7 H2 119.1 . . ?
C17 C7 H2 119.1 . . ?
C4 C8 C12 107.66(18) . . ?
C4 C8 H3 126.2 . . ?
C12 C8 H3 126.2 . . ?
C5 C9 C15 108.10(19) . . ?
C5 C9 H4 126.0 . . ?
C15 C9 H4 126.0 . . ?
C1 C10 Si1 112.58(15) . . ?
C1 C10 H5 109.1 . . ?
Si1 C10 H5 109.1 . . ?
C1 C10 H6 109.1 . . ?
Si1 C10 H6 109.1 . . ?
H5 C10 H6 107.8 . . ?
C24 C11 C23 118.61(18) . . ?
C24 C11 C4 115.97(17) . . ?
C23 C11 C4 125.26(18) . . ?
C6 C12 C21 119.90(19) . . ?
C6 C12 C8 132.8(2) . . ?
C21 C12 C8 107.27(18) . . ?
C24 C13 C18 119.5(2) . . ?
C24 C13 H7 120.3 . . ?
C18 C13 H7 120.3 . . ?
C18 C14 C23 122.2(2) . . ?
C18 C14 H8 118.9 . . ?
C23 C14 H8 118.9 . . ?
C22 C15 C19 119.9(2) . . ?
C22 C15 C9 133.2(2) . . ?
C19 C15 C9 106.90(18) . . ?
C32 C16 Si1 113.15(15) . . ?
C32 C16 H9 108.9 . . ?
Si1 C16 H9 108.9 . . ?
C32 C16 H10 108.9 . . ?
Si1 C16 H10 108.9 . . ?
H9 C16 H10 107.8 . . ?
C6 C17 C7 120.9(2) . . ?
C6 C17 H11 119.6 . . ?
C7 C17 H11 119.6 . . ?
C14 C18 C13 119.57(19) . . ?
C14 C18 H12 120.2 . . ?
C13 C18 H12 120.2 . . ?
C27 C19 N1 130.9(2) . . ?
C27 C19 C15 120.61(19) . . ?
N1 C19 C15 108.49(18) . . ?
C7 C20 C21 117.7(2) . . ?
C7 C20 H13 121.2 . . ?
C21 C20 H13 121.2 . . ?
C20 C21 C12 121.17(19) . . ?
C20 C21 N2 130.44(19) . . ?
C12 C21 N2 108.37(17) . . ?
C25 C22 C15 119.1(2) . . ?
C25 C22 H14 120.5 . . ?
C15 C22 H14 120.5 . . ?
C14 C23 C11 118.07(19) . . ?
C14 C23 C5 115.47(18) . . ?
C11 C23 C5 126.41(18) . . ?
C13 C24 C11 122.0(2) . . ?
C13 C24 H15 119.0 . . ?
C11 C24 H15 119.0 . . ?
C22 C25 C26 120.5(2) . . ?
C22 C25 H16 119.7 . . ?
C26 C25 H16 119.7 . . ?
C27 C26 C25 121.5(2) . . ?
C27 C26 H17 119.2 . . ?
C25 C26 H17 119.2 . . ?
C26 C27 C19 118.3(2) . . ?
C26 C27 H18 120.8 . . ?
C19 C27 H18 120.8 . . ?
C10 C1 H19 109.5 . . ?
C10 C1 H20 109.5 . . ?
H19 C1 H20 109.5 . . ?
C10 C1 H21 109.5 . . ?
H19 C1 H21 109.5 . . ?
H20 C1 H21 109.5 . . ?
C16 C32 H22 109.5 . . ?
C16 C32 H23 109.5 . . ?
H22 C32 H23 109.5 . . ?
C16 C32 H24 109.5 . . ?
H22 C32 H24 109.5 . . ?
H23 C32 H24 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 Si1 N1 C19 120.24(18) . . . . ?
C16 Si1 N1 C19 -0.3(2) . . . . ?
C10 Si1 N1 C19 -122.32(19) . . . . ?
N2 Si1 N1 C5 -58.32(17) . . . . ?
C16 Si1 N1 C5 -178.87(15) . . . . ?
C10 Si1 N1 C5 59.12(18) . . . . ?
N1 Si1 N2 C4 60.31(17) . . . . ?
C16 Si1 N2 C4 -178.26(16) . . . . ?
C10 Si1 N2 C4 -56.44(19) . . . . ?
N1 Si1 N2 C21 -117.7(2) . . . . ?
C16 Si1 N2 C21 3.8(2) . . . . ?
C10 Si1 N2 C21 125.6(2) . . . . ?
C21 N2 C4 C8 -0.7(2) . . . . ?
Si1 N2 C4 C8 -179.14(15) . . . . ?
C21 N2 C4 C11 -178.98(19) . . . . ?
Si1 N2 C4 C11 2.6(3) . . . . ?
C19 N1 C5 C9 0.6(2) . . . . ?
Si1 N1 C5 C9 179.44(14) . . . . ?
C19 N1 C5 C23 176.65(19) . . . . ?
Si1 N1 C5 C23 -4.5(3) . . . . ?
N2 C4 C8 C12 0.5(3) . . . . ?
C11 C4 C8 C12 178.8(2) . . . . ?
N1 C5 C9 C15 -0.4(2) . . . . ?
C23 C5 C9 C15 -176.40(19) . . . . ?
N2 Si1 C10 C1 -47.08(18) . . . . ?
N1 Si1 C10 C1 -159.76(15) . . . . ?
C16 Si1 C10 C1 76.08(17) . . . . ?
C8 C4 C11 C24 -41.1(3) . . . . ?
N2 C4 C11 C24 137.0(2) . . . . ?
C8 C4 C11 C23 134.2(2) . . . . ?
N2 C4 C11 C23 -47.8(3) . . . . ?
C17 C6 C12 C21 -0.6(3) . . . . ?
C17 C6 C12 C8 -177.6(2) . . . . ?
C4 C8 C12 C6 177.1(2) . . . . ?
C4 C8 C12 C21 -0.2(3) . . . . ?
C5 C9 C15 C22 179.8(2) . . . . ?
C5 C9 C15 C19 0.1(2) . . . . ?
N2 Si1 C16 C32 168.89(15) . . . . ?
N1 Si1 C16 C32 -75.62(17) . . . . ?
C10 Si1 C16 C32 46.45(18) . . . . ?
C12 C6 C17 C7 0.3(3) . . . . ?
C20 C7 C17 C6 0.1(4) . . . . ?
C23 C14 C18 C13 -1.8(3) . . . . ?
C24 C13 C18 C14 1.0(3) . . . . ?
C5 N1 C19 C27 179.5(2) . . . . ?
Si1 N1 C19 C27 0.8(3) . . . . ?
C5 N1 C19 C15 -0.5(2) . . . . ?
Si1 N1 C19 C15 -179.22(15) . . . . ?
C22 C15 C19 C27 0.5(3) . . . . ?
C9 C15 C19 C27 -179.73(19) . . . . ?
C22 C15 C19 N1 -179.49(19) . . . . ?
C9 C15 C19 N1 0.3(2) . . . . ?
C17 C7 C20 C21 -0.2(3) . . . . ?
C7 C20 C21 C12 -0.2(3) . . . . ?
C7 C20 C21 N2 177.9(2) . . . . ?
C6 C12 C21 C20 0.5(3) . . . . ?
C8 C12 C21 C20 178.2(2) . . . . ?
C6 C12 C21 N2 -177.94(19) . . . . ?
C8 C12 C21 N2 -0.3(2) . . . . ?
C4 N2 C21 C20 -177.7(2) . . . . ?
Si1 N2 C21 C20 0.5(4) . . . . ?
C4 N2 C21 C12 0.6(2) . . . . ?
Si1 N2 C21 C12 178.77(16) . . . . ?
C19 C15 C22 C25 -0.1(3) . . . . ?
C9 C15 C22 C25 -179.8(2) . . . . ?
C18 C14 C23 C11 0.7(3) . . . . ?
C18 C14 C23 C5 -176.9(2) . . . . ?
C24 C11 C23 C14 1.1(3) . . . . ?
C4 C11 C23 C14 -174.0(2) . . . . ?
C24 C11 C23 C5 178.3(2) . . . . ?
C4 C11 C23 C5 3.2(4) . . . . ?
C9 C5 C23 C14 37.5(3) . . . . ?
N1 C5 C23 C14 -138.0(2) . . . . ?
C9 C5 C23 C11 -139.8(2) . . . . ?
N1 C5 C23 C11 44.7(3) . . . . ?
C18 C13 C24 C11 0.8(3) . . . . ?
C23 C11 C24 C13 -1.8(3) . . . . ?
C4 C11 C24 C13 173.7(2) . . . . ?
C15 C22 C25 C26 -0.3(3) . . . . ?
C22 C25 C26 C27 0.4(4) . . . . ?
C25 C26 C27 C19 0.0(3) . . . . ?
N1 C19 C27 C26 179.6(2) . . . . ?
C15 C19 C27 C26 -0.4(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        68.25
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.242
_refine_diff_density_min         -0.364
_refine_diff_density_rms         0.053
_exptl_crystal_recrystallization_method 'Vapour Deposition'
####################################################################### 
# 
# 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_31205t
_database_code_depnum_ccdc_archive 'CCDC 1050755'
_audit_update_record             
;
2015-02-21 deposited with the CCDC.
2015-04-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
'1,2-bis(indol-2-yl)benzene diphenylsilyl complex'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '2(C34 H24 N2 Si), C4 H8 O'
_chemical_formula_sum            'C36 H28 N2 O0.50 Si'
_chemical_formula_weight         524.69

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C 2/c'
_symmetry_space_group_name_Hall  '-C 2yc '
_symmetry_Int_Tables_number      15

loop_
_symmetry_equiv_pos_as_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                   21.767(4)
_cell_length_b                   12.983(2)
_cell_length_c                   19.854(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 108.480(4)
_cell_angle_gamma                90.00
_cell_volume                     5321.4(17)
_cell_formula_units_Z            8
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    2845
_cell_measurement_theta_min      25.2
_cell_measurement_theta_max      68.2

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.310
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2208
_exptl_absorpt_coefficient_mu    1.011
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8158
_exptl_absorpt_correction_T_max  0.9418
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     1.54187
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17542
_diffrn_reflns_av_R_equivalents  0.0218
_diffrn_reflns_av_sigmaI/netI    0.0188
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         6.69
_diffrn_reflns_theta_max         68.32
_reflns_number_total             4817
_reflns_number_gt                4530
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0537P)²+4.5052P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4817
_refine_ls_number_parameters     379
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0365
_refine_ls_R_factor_gt           0.0348
_refine_ls_wR_factor_ref         0.0939
_refine_ls_wR_factor_gt          0.0919
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.000
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.21077(6) 0.10004(10) 0.05948(6) 0.0173(3) Uani 1 1 d . . .
H1 H 0.1705 0.0673 0.0541 0.021 Uiso 1 1 calc R . .
C2 C 0.25484(7) 0.05816(10) 0.03004(7) 0.0187(3) Uani 1 1 d . . .
H2 H 0.2443 -0.0045 0.0042 0.022 Uiso 1 1 calc R . .
C3 C 0.31442(6) 0.10512(10) 0.03714(7) 0.0194(3) Uani 1 1 d . . .
H3 H 0.3441 0.0732 0.0174 0.023 Uiso 1 1 calc R . .
C4 C 0.33032(6) 0.19770(10) 0.07265(7) 0.0184(3) Uani 1 1 d . . .
H4 H 0.3704 0.2303 0.0769 0.022 Uiso 1 1 calc R . .
C5 C 0.28628(6) 0.24265(10) 0.10226(6) 0.0151(3) Uani 1 1 d . . .
C6 C 0.22746(6) 0.19225(9) 0.09753(6) 0.0146(3) Uani 1 1 d . . .
C7 C 0.28568(6) 0.33881(10) 0.13657(6) 0.0153(3) Uani 1 1 d . . .
H5 H 0.3188 0.3895 0.1469 0.018 Uiso 1 1 calc R . .
C8 C 0.22909(6) 0.34506(9) 0.15195(6) 0.0143(3) Uani 1 1 d . . .
C9 C 0.20510(6) 0.43779(10) 0.17852(6) 0.0147(3) Uani 1 1 d . . .
C10 C 0.21448(6) 0.53149(10) 0.14792(7) 0.0167(3) Uani 1 1 d . . .
H6 H 0.2317 0.5307 0.1096 0.020 Uiso 1 1 calc R . .
C11 C 0.19928(6) 0.62512(10) 0.17214(7) 0.0188(3) Uani 1 1 d . . .
H7 H 0.2061 0.6876 0.1506 0.023 Uiso 1 1 calc R . .
C12 C 0.17402(6) 0.62685(10) 0.22814(7) 0.0190(3) Uani 1 1 d . . .
H8 H 0.1635 0.6906 0.2452 0.023 Uiso 1 1 calc R . .
C13 C 0.16428(6) 0.53502(10) 0.25900(7) 0.0179(3) Uani 1 1 d . . .
H9 H 0.1471 0.5369 0.2974 0.021 Uiso 1 1 calc R . .
C14 C 0.17918(6) 0.43947(10) 0.23508(7) 0.0151(3) Uani 1 1 d . . .
C15 C 0.17117(6) 0.34846(10) 0.27603(7) 0.0154(3) Uani 1 1 d . . .
C16 C 0.18567(6) 0.34415(10) 0.34788(7) 0.0188(3) Uani 1 1 d . . .
H10 H 0.2077 0.3957 0.3806 0.023 Uiso 1 1 calc R . .
C17 C 0.16197(6) 0.24879(10) 0.36535(7) 0.0187(3) Uani 1 1 d . . .
C18 C 0.16032(7) 0.20611(11) 0.42987(7) 0.0238(3) Uani 1 1 d . . .
H11 H 0.1810 0.2400 0.4736 0.029 Uiso 1 1 calc R . .
C19 C 0.12825(7) 0.11444(11) 0.42859(8) 0.0260(3) Uani 1 1 d . . .
H12 H 0.1267 0.0847 0.4718 0.031 Uiso 1 1 calc R . .
C20 C 0.09781(7) 0.06461(11) 0.36393(8) 0.0261(3) Uani 1 1 d . . .
H13 H 0.0756 0.0017 0.3642 0.031 Uiso 1 1 calc R . .
C21 C 0.09907(7) 0.10428(10) 0.29963(8) 0.0219(3) Uani 1 1 d . . .
H14 H 0.0778 0.0701 0.2562 0.026 Uiso 1 1 calc R . .
C22 C 0.13276(6) 0.19661(10) 0.30090(7) 0.0170(3) Uani 1 1 d . . .
N1 N 0.14012(5) 0.25679(8) 0.24482(6) 0.0157(2) Uani 1 1 d . . .
N2 N 0.19237(5) 0.25411(8) 0.13089(5) 0.0146(2) Uani 1 1 d . . .
Si1 Si 0.122888(16) 0.22471(2) 0.154515(17) 0.01401(11) Uani 1 1 d . . .
C23 C 0.10900(6) 0.08430(10) 0.14347(7) 0.0161(3) Uani 1 1 d . . .
C24 C 0.15800(6) 0.01533(10) 0.17910(7) 0.0177(3) Uani 1 1 d . . .
H15 H 0.1975 0.0412 0.2106 0.021 Uiso 1 1 calc R . .
C25 C 0.14984(6) -0.08987(10) 0.16918(7) 0.0193(3) Uani 1 1 d . . .
H16 H 0.1836 -0.1357 0.1936 0.023 Uiso 1 1 calc R . .
C26 C 0.09200(7) -0.12836(10) 0.12325(7) 0.0227(3) Uani 1 1 d . . .
H17 H 0.0864 -0.2005 0.1158 0.027 Uiso 1 1 calc R . .
C27 C 0.04252(7) -0.06139(11) 0.08832(7) 0.0227(3) Uani 1 1 d . . .
H18 H 0.0029 -0.0878 0.0574 0.027 Uiso 1 1 calc R . .
C28 C 0.05090(6) 0.04437(10) 0.09844(7) 0.0184(3) Uani 1 1 d . . .
H19 H 0.0168 0.0898 0.0745 0.022 Uiso 1 1 calc R . .
C29 C 0.05298(6) 0.30096(10) 0.09957(7) 0.0166(3) Uani 1 1 d . . .
C30 C 0.04185(7) 0.30884(10) 0.02645(7) 0.0204(3) Uani 1 1 d . . .
H20 H 0.0721 0.2795 0.0064 0.024 Uiso 1 1 calc R . .
C31 C -0.01239(7) 0.35863(11) -0.01731(8) 0.0252(3) Uani 1 1 d . . .
H21 H -0.0192 0.3635 -0.0669 0.030 Uiso 1 1 calc R . .
C32 C -0.05681(7) 0.40142(11) 0.01160(8) 0.0260(3) Uani 1 1 d . . .
H22 H -0.0943 0.4352 -0.0183 0.031 Uiso 1 1 calc R . .
C33 C -0.04665(7) 0.39497(11) 0.08372(8) 0.0265(3) Uani 1 1 d . . .
H23 H -0.0770 0.4250 0.1034 0.032 Uiso 1 1 calc R . .
C34 C 0.00772(7) 0.34474(11) 0.12776(8) 0.0220(3) Uani 1 1 d . . .
H24 H 0.0142 0.3401 0.1773 0.026 Uiso 1 1 calc R . .
C35 C 0.4923(4) 0.1428(9) 0.2116(6) 0.043(4) Uani 0.50 1 d P A -1
H25 H 0.5258 0.0998 0.2013 0.051 Uiso 0.50 1 calc PR A -1
H26 H 0.4507 0.1054 0.1931 0.051 Uiso 0.50 1 calc PR A -1
O2 O 0.48665(15) 0.2361(3) 0.17120(15) 0.0522(7) Uani 0.50 1 d P A -1
C36 C 0.4855(3) 0.3111(5) 0.2241(3) 0.0505(14) Uani 0.50 1 d P A -1
H27 H 0.4407 0.3216 0.2249 0.061 Uiso 0.50 1 calc PR A -1
H28 H 0.5027 0.3780 0.2140 0.061 Uiso 0.50 1 calc PR A -1
C37 C 0.5088(6) 0.1486(12) 0.2914(7) 0.064(5) Uani 0.50 1 d P A -1
H29 H 0.5456 0.1039 0.3169 0.076 Uiso 0.50 1 calc PR A -1
H30 H 0.4711 0.1352 0.3078 0.076 Uiso 0.50 1 calc PR A -1
C38 C 0.5278(3) 0.2682(4) 0.2943(3) 0.0388(11) Uani 0.50 1 d P A -1
H31 H 0.5188 0.3030 0.3345 0.047 Uiso 0.50 1 calc PR A -1
H32 H 0.5742 0.2767 0.2994 0.047 Uiso 0.50 1 calc PR A -1


_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 1.3830(18) . ?
C1 C6 1.4007(18) . ?
C1 H1 0.9500 . ?
C2 C3 1.3991(19) . ?
C2 H2 0.9500 . ?
C3 C4 1.3809(19) . ?
C3 H3 0.9500 . ?
C4 C5 1.4007(18) . ?
C4 H4 0.9500 . ?
C5 C6 1.4141(18) . ?
C5 C7 1.4243(18) . ?
C6 N2 1.4100(16) . ?
C7 C8 1.3620(18) . ?
C7 H5 0.9500 . ?
C8 N2 1.4127(16) . ?
C8 C9 1.4749(17) . ?
C9 C10 1.4033(18) . ?
C9 C14 1.4074(18) . ?
C10 C11 1.3854(18) . ?
C10 H6 0.9500 . ?
C11 C12 1.3878(19) . ?
C11 H7 0.9500 . ?
C12 C13 1.3872(19) . ?
C12 H8 0.9500 . ?
C13 C14 1.4026(18) . ?
C13 H9 0.9500 . ?
C14 C15 1.4757(18) . ?
C15 C16 1.3610(19) . ?
C15 N1 1.4113(16) . ?
C16 C17 1.4257(19) . ?
C16 H10 0.9500 . ?
C17 C18 1.4067(19) . ?
C17 C22 1.4088(19) . ?
C18 C19 1.376(2) . ?
C18 H11 0.9500 . ?
C19 C20 1.402(2) . ?
C19 H12 0.9500 . ?
C20 C21 1.385(2) . ?
C20 H13 0.9500 . ?
C21 C22 1.4013(19) . ?
C21 H14 0.9500 . ?
C22 N1 1.4103(16) . ?
N1 Si1 1.7613(12) . ?
N2 Si1 1.7616(11) . ?
Si1 C23 1.8496(13) . ?
Si1 C29 1.8528(13) . ?
C23 C28 1.3966(18) . ?
C23 C24 1.4006(19) . ?
C24 C25 1.3833(19) . ?
C24 H15 0.9500 . ?
C25 C26 1.392(2) . ?
C25 H16 0.9500 . ?
C26 C27 1.387(2) . ?
C26 H17 0.9500 . ?
C27 C28 1.3912(19) . ?
C27 H18 0.9500 . ?
C28 H19 0.9500 . ?
C29 C30 1.3977(19) . ?
C29 C34 1.3987(18) . ?
C30 C31 1.384(2) . ?
C30 H20 0.9500 . ?
C31 C32 1.387(2) . ?
C31 H21 0.9500 . ?
C32 C33 1.380(2) . ?
C32 H22 0.9500 . ?
C33 C34 1.391(2) . ?
C33 H23 0.9500 . ?
C34 H24 0.9500 . ?
C35 O2 1.436(12) . ?
C35 C37 1.511(5) . ?
C35 H25 0.9900 . ?
C35 H26 0.9900 . ?
O2 C36 1.438(7) . ?
C36 C38 1.512(7) . ?
C36 H27 0.9900 . ?
C36 H28 0.9900 . ?
C37 C38 1.602(17) . ?
C37 H29 0.9900 . ?
C37 H30 0.9900 . ?
C38 H31 0.9900 . ?
C38 H32 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 C6 117.90(12) . . ?
C2 C1 H1 121.1 . . ?
C6 C1 H1 121.1 . . ?
C1 C2 C3 122.07(12) . . ?
C1 C2 H2 119.0 . . ?
C3 C2 H2 119.0 . . ?
C4 C3 C2 120.33(12) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C3 C4 C5 118.87(12) . . ?
C3 C4 H4 120.6 . . ?
C5 C4 H4 120.6 . . ?
C4 C5 C6 120.32(12) . . ?
C4 C5 C7 132.63(12) . . ?
C6 C5 C7 106.97(11) . . ?
C1 C6 N2 130.83(12) . . ?
C1 C6 C5 120.39(11) . . ?
N2 C6 C5 108.60(11) . . ?
C8 C7 C5 107.79(11) . . ?
C8 C7 H5 126.1 . . ?
C5 C7 H5 126.1 . . ?
C7 C8 N2 110.54(11) . . ?
C7 C8 C9 125.22(11) . . ?
N2 C8 C9 123.84(11) . . ?
C10 C9 C14 118.82(11) . . ?
C10 C9 C8 115.86(11) . . ?
C14 C9 C8 125.10(11) . . ?
C11 C10 C9 121.79(12) . . ?
C11 C10 H6 119.1 . . ?
C9 C10 H6 119.1 . . ?
C10 C11 C12 119.41(12) . . ?
C10 C11 H7 120.3 . . ?
C12 C11 H7 120.3 . . ?
C11 C12 C13 119.65(12) . . ?
C11 C12 H8 120.2 . . ?
C13 C12 H8 120.2 . . ?
C12 C13 C14 121.76(12) . . ?
C12 C13 H9 119.1 . . ?
C14 C13 H9 119.1 . . ?
C13 C14 C9 118.56(11) . . ?
C13 C14 C15 116.18(11) . . ?
C9 C14 C15 125.06(11) . . ?
C16 C15 N1 110.20(11) . . ?
C16 C15 C14 125.57(11) . . ?
N1 C15 C14 123.86(11) . . ?
C15 C16 C17 108.00(12) . . ?
C15 C16 H10 126.0 . . ?
C17 C16 H10 126.0 . . ?
C18 C17 C22 120.22(13) . . ?
C18 C17 C16 132.79(13) . . ?
C22 C17 C16 106.89(11) . . ?
C19 C18 C17 118.89(14) . . ?
C19 C18 H11 120.6 . . ?
C17 C18 H11 120.6 . . ?
C18 C19 C20 120.38(13) . . ?
C18 C19 H12 119.8 . . ?
C20 C19 H12 119.8 . . ?
C21 C20 C19 122.05(13) . . ?
C21 C20 H13 119.0 . . ?
C19 C20 H13 119.0 . . ?
C20 C21 C22 117.69(13) . . ?
C20 C21 H14 121.2 . . ?
C22 C21 H14 121.2 . . ?
C21 C22 C17 120.70(12) . . ?
C21 C22 N1 130.50(12) . . ?
C17 C22 N1 108.61(11) . . ?
C22 N1 C15 106.20(10) . . ?
C22 N1 Si1 129.19(9) . . ?
C15 N1 Si1 124.35(9) . . ?
C6 N2 C8 105.98(10) . . ?
C6 N2 Si1 129.82(9) . . ?
C8 N2 Si1 123.73(8) . . ?
N1 Si1 N2 107.22(5) . . ?
N1 Si1 C23 109.14(5) . . ?
N2 Si1 C23 107.69(5) . . ?
N1 Si1 C29 110.07(6) . . ?
N2 Si1 C29 109.98(6) . . ?
C23 Si1 C29 112.57(6) . . ?
C28 C23 C24 118.44(12) . . ?
C28 C23 Si1 121.51(10) . . ?
C24 C23 Si1 120.03(10) . . ?
C25 C24 C23 121.09(12) . . ?
C25 C24 H15 119.5 . . ?
C23 C24 H15 119.5 . . ?
C24 C25 C26 119.76(12) . . ?
C24 C25 H16 120.1 . . ?
C26 C25 H16 120.1 . . ?
C27 C26 C25 120.01(12) . . ?
C27 C26 H17 120.0 . . ?
C25 C26 H17 120.0 . . ?
C26 C27 C28 120.07(12) . . ?
C26 C27 H18 120.0 . . ?
C28 C27 H18 120.0 . . ?
C27 C28 C23 120.63(12) . . ?
C27 C28 H19 119.7 . . ?
C23 C28 H19 119.7 . . ?
C30 C29 C34 118.26(12) . . ?
C30 C29 Si1 119.36(10) . . ?
C34 C29 Si1 122.19(10) . . ?
C31 C30 C29 121.25(13) . . ?
C31 C30 H20 119.4 . . ?
C29 C30 H20 119.4 . . ?
C30 C31 C32 119.66(13) . . ?
C30 C31 H21 120.2 . . ?
C32 C31 H21 120.2 . . ?
C33 C32 C31 120.10(13) . . ?
C33 C32 H22 120.0 . . ?
C31 C32 H22 120.0 . . ?
C32 C33 C34 120.33(13) . . ?
C32 C33 H23 119.8 . . ?
C34 C33 H23 119.8 . . ?
C33 C34 C29 120.40(13) . . ?
C33 C34 H24 119.8 . . ?
C29 C34 H24 119.8 . . ?
O2 C35 C37 119.6(13) . . ?
O2 C35 H25 107.4 . . ?
C37 C35 H25 107.4 . . ?
O2 C35 H26 107.4 . . ?
C37 C35 H26 107.4 . . ?
H25 C35 H26 107.0 . . ?
C36 O2 C35 100.4(6) . . ?
O2 C36 C38 106.0(5) . . ?
O2 C36 H27 110.5 . . ?
C38 C36 H27 110.5 . . ?
O2 C36 H28 110.5 . . ?
C38 C36 H28 110.5 . . ?
H27 C36 H28 108.7 . . ?
C35 C37 C38 93.4(11) . . ?
C35 C37 H29 113.0 . . ?
C38 C37 H29 113.0 . . ?
C35 C37 H30 113.0 . . ?
C38 C37 H30 113.0 . . ?
H29 C37 H30 110.4 . . ?
C36 C38 C37 104.4(7) . . ?
C36 C38 H31 110.9 . . ?
C37 C38 H31 110.9 . . ?
C36 C38 H32 110.9 . . ?
C37 C38 H32 110.9 . . ?
H31 C38 H32 108.9 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 -0.18(19) . . . . ?
C1 C2 C3 C4 -1.87(19) . . . . ?
C2 C3 C4 C5 0.99(19) . . . . ?
C3 C4 C5 C6 1.86(19) . . . . ?
C3 C4 C5 C7 -174.51(13) . . . . ?
C2 C1 C6 N2 177.56(12) . . . . ?
C2 C1 C6 C5 3.04(18) . . . . ?
C4 C5 C6 C1 -3.94(18) . . . . ?
C7 C5 C6 C1 173.27(11) . . . . ?
C4 C5 C6 N2 -179.57(11) . . . . ?
C7 C5 C6 N2 -2.36(14) . . . . ?
C4 C5 C7 C8 177.05(13) . . . . ?
C6 C5 C7 C8 0.33(14) . . . . ?
C5 C7 C8 N2 1.85(14) . . . . ?
C5 C7 C8 C9 -171.05(11) . . . . ?
C7 C8 C9 C10 40.02(17) . . . . ?
N2 C8 C9 C10 -131.96(12) . . . . ?
C7 C8 C9 C14 -134.41(14) . . . . ?
N2 C8 C9 C14 53.60(18) . . . . ?
C14 C9 C10 C11 0.37(19) . . . . ?
C8 C9 C10 C11 -174.44(12) . . . . ?
C9 C10 C11 C12 -0.05(19) . . . . ?
C10 C11 C12 C13 -0.1(2) . . . . ?
C11 C12 C13 C14 -0.1(2) . . . . ?
C12 C13 C14 C9 0.44(19) . . . . ?
C12 C13 C14 C15 175.51(12) . . . . ?
C10 C9 C14 C13 -0.55(18) . . . . ?
C8 C9 C14 C13 173.74(11) . . . . ?
C10 C9 C14 C15 -175.14(11) . . . . ?
C8 C9 C14 C15 -0.9(2) . . . . ?
C13 C14 C15 C16 -38.21(18) . . . . ?
C9 C14 C15 C16 136.49(14) . . . . ?
C13 C14 C15 N1 134.12(13) . . . . ?
C9 C14 C15 N1 -51.17(18) . . . . ?
N1 C15 C16 C17 -1.91(15) . . . . ?
C14 C15 C16 C17 171.31(12) . . . . ?
C15 C16 C17 C18 -176.23(14) . . . . ?
C15 C16 C17 C22 -0.02(15) . . . . ?
C22 C17 C18 C19 -1.8(2) . . . . ?
C16 C17 C18 C19 174.00(14) . . . . ?
C17 C18 C19 C20 0.0(2) . . . . ?
C18 C19 C20 C21 0.5(2) . . . . ?
C19 C20 C21 C22 0.7(2) . . . . ?
C20 C21 C22 C17 -2.47(19) . . . . ?
C20 C21 C22 N1 -177.03(13) . . . . ?
C18 C17 C22 C21 3.06(19) . . . . ?
C16 C17 C22 C21 -173.71(12) . . . . ?
C18 C17 C22 N1 178.70(12) . . . . ?
C16 C17 C22 N1 1.93(14) . . . . ?
C21 C22 N1 C15 172.04(13) . . . . ?
C17 C22 N1 C15 -3.03(14) . . . . ?
C21 C22 N1 Si1 -13.8(2) . . . . ?
C17 C22 N1 Si1 171.12(9) . . . . ?
C16 C15 N1 C22 3.07(14) . . . . ?
C14 C15 N1 C22 -170.29(11) . . . . ?
C16 C15 N1 Si1 -171.44(9) . . . . ?
C14 C15 N1 Si1 15.20(17) . . . . ?
C1 C6 N2 C8 -171.61(13) . . . . ?
C5 C6 N2 C8 3.40(13) . . . . ?
C1 C6 N2 Si1 16.2(2) . . . . ?
C5 C6 N2 Si1 -168.75(9) . . . . ?
C7 C8 N2 C6 -3.27(13) . . . . ?
C9 C8 N2 C6 169.74(11) . . . . ?
C7 C8 N2 Si1 169.48(9) . . . . ?
C9 C8 N2 Si1 -17.50(16) . . . . ?
C22 N1 Si1 N2 -128.93(11) . . . . ?
C15 N1 Si1 N2 44.26(11) . . . . ?
C22 N1 Si1 C23 -12.56(13) . . . . ?
C15 N1 Si1 C23 160.63(10) . . . . ?
C22 N1 Si1 C29 111.46(11) . . . . ?
C15 N1 Si1 C29 -75.36(11) . . . . ?
C6 N2 Si1 N1 127.94(11) . . . . ?
C8 N2 Si1 N1 -42.98(11) . . . . ?
C6 N2 Si1 C23 10.61(12) . . . . ?
C8 N2 Si1 C23 -160.31(10) . . . . ?
C6 N2 Si1 C29 -112.40(11) . . . . ?
C8 N2 Si1 C29 76.69(11) . . . . ?
N1 Si1 C23 C28 121.89(10) . . . . ?
N2 Si1 C23 C28 -122.04(10) . . . . ?
C29 Si1 C23 C28 -0.63(12) . . . . ?
N1 Si1 C23 C24 -59.96(11) . . . . ?
N2 Si1 C23 C24 56.12(11) . . . . ?
C29 Si1 C23 C24 177.52(10) . . . . ?
C28 C23 C24 C25 1.18(18) . . . . ?
Si1 C23 C24 C25 -177.03(10) . . . . ?
C23 C24 C25 C26 -0.20(19) . . . . ?
C24 C25 C26 C27 -0.8(2) . . . . ?
C25 C26 C27 C28 0.8(2) . . . . ?
C26 C27 C28 C23 0.2(2) . . . . ?
C24 C23 C28 C27 -1.19(19) . . . . ?
Si1 C23 C28 C27 177.00(10) . . . . ?
N1 Si1 C29 C30 162.92(10) . . . . ?
N2 Si1 C29 C30 45.01(12) . . . . ?
C23 Si1 C29 C30 -75.08(11) . . . . ?
N1 Si1 C29 C34 -22.11(12) . . . . ?
N2 Si1 C29 C34 -140.03(11) . . . . ?
C23 Si1 C29 C34 99.88(12) . . . . ?
C34 C29 C30 C31 0.1(2) . . . . ?
Si1 C29 C30 C31 175.22(10) . . . . ?
C29 C30 C31 C32 -0.2(2) . . . . ?
C30 C31 C32 C33 0.5(2) . . . . ?
C31 C32 C33 C34 -0.7(2) . . . . ?
C32 C33 C34 C29 0.5(2) . . . . ?
C30 C29 C34 C33 -0.2(2) . . . . ?
Si1 C29 C34 C33 -175.25(11) . . . . ?
C37 C35 O2 C36 -12.4(5) . . . . ?
C35 O2 C36 C38 32.7(5) . . . . ?
O2 C35 C37 C38 -11.8(5) . . . . ?
O2 C36 C38 C37 -42.5(5) . . . . ?
C35 C37 C38 C36 30.3(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.985
_diffrn_reflns_theta_full        68.32
_diffrn_measured_fraction_theta_full 0.985
_refine_diff_density_max         0.371
_refine_diff_density_min         -0.342
_refine_diff_density_rms         0.043
_exptl_crystal_recrystallization_method 'Vapour Deposition'
####################################################################### 
# 
# 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_50120ta2
_database_code_depnum_ccdc_archive 'CCDC 1050756'
_audit_update_record             
;
2015-02-21 deposited with the CCDC.
2015-04-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
'1,2-bis(indol-2-yl)benzene di(4-methyl)phenylsilyl complex'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '2(C36 H28 N2 Si), C H2 Cl2 '
_chemical_formula_sum            'C73 H58 Cl2 N4 Si2'
_chemical_formula_weight         1118.31

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'P 32 2 1'
_symmetry_space_group_name_Hall  'P 32 2"'
_symmetry_Int_Tables_number      154

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z+2/3'
'-x+y, -x, z+1/3'
'x-y, -y, -z+1/3'
'-x, -x+y, -z+2/3'
'y, x, -z'

_cell_length_a                   13.156(3)
_cell_length_b                   13.156(3)
_cell_length_c                   28.415(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     4259.2(18)
_cell_formula_units_Z            3
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    4022
_cell_measurement_theta_min      31.3
_cell_measurement_theta_max      68.2

_exptl_crystal_description       Prism
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.308
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1758
_exptl_absorpt_coefficient_mu    1.811
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6310
_exptl_absorpt_correction_T_max  0.8687
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     1.54187
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.8140
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            24360
_diffrn_reflns_av_R_equivalents  0.0282
_diffrn_reflns_av_sigmaI/netI    0.0216
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         6.73
_diffrn_reflns_theta_max         66.99
_reflns_number_total             4997
_reflns_number_gt                4864
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0467P)²+0.7591P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.009(11)
_refine_ls_number_reflns         4997
_refine_ls_number_parameters     368
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0275
_refine_ls_R_factor_gt           0.0269
_refine_ls_wR_factor_ref         0.0719
_refine_ls_wR_factor_gt          0.0716
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.029
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.13401(14) 0.87341(14) 1.04176(5) 0.0177(3) Uani 1 1 d . . .
C2 C 0.01232(15) 0.82068(15) 1.04090(5) 0.0223(4) Uani 1 1 d . . .
H1 H -0.0292 0.8012 1.0119 0.027 Uiso 1 1 calc R . .
C3 C -0.04664(16) 0.79738(16) 1.08326(6) 0.0261(4) Uani 1 1 d . . .
H2 H -0.1298 0.7615 1.0832 0.031 Uiso 1 1 calc R . .
C4 C 0.01265(17) 0.82519(16) 1.12620(6) 0.0278(4) Uani 1 1 d . . .
H3 H -0.0304 0.8075 1.1548 0.033 Uiso 1 1 calc R . .
C5 C 0.13320(17) 0.87811(15) 1.12740(6) 0.0254(4) Uani 1 1 d . . .
H4 H 0.1735 0.8959 1.1566 0.030 Uiso 1 1 calc R . .
C6 C 0.19561(15) 0.90542(14) 1.08502(5) 0.0204(3) Uani 1 1 d . . .
C7 C 0.31730(14) 0.96828(14) 1.07370(5) 0.0197(3) Uani 1 1 d . . .
H5 H 0.3802 1.0010 1.0957 0.024 Uiso 1 1 calc R . .
C8 C 0.32812(14) 0.97344(14) 1.02601(5) 0.0174(3) Uani 1 1 d . . .
N1 N 0.21639(11) 0.91078(12) 1.00513(4) 0.0170(3) Uani 1 1 d . . .
Si1 Si 0.19410(4) 0.89415(4) 0.943633(13) 0.01477(10) Uani 1 1 d . . .
N2 N 0.29033(11) 0.84789(11) 0.92263(4) 0.0153(3) Uani 1 1 d . . .
C9 C 0.26670(14) 0.75237(13) 0.89321(5) 0.0164(3) Uani 1 1 d . . .
C10 C 0.16525(15) 0.67459(14) 0.86830(5) 0.0193(3) Uani 1 1 d . . .
H6 H 0.0958 0.6796 0.8704 0.023 Uiso 1 1 calc R . .
C11 C 0.16917(15) 0.59073(15) 0.84070(5) 0.0226(4) Uani 1 1 d . . .
H7 H 0.1011 0.5373 0.8236 0.027 Uiso 1 1 calc R . .
C12 C 0.27051(16) 0.58181(15) 0.83708(5) 0.0248(4) Uani 1 1 d . . .
H8 H 0.2699 0.5223 0.8180 0.030 Uiso 1 1 calc R . .
C13 C 0.37157(16) 0.65881(15) 0.86107(5) 0.0221(4) Uani 1 1 d . . .
H9 H 0.4404 0.6528 0.8587 0.027 Uiso 1 1 calc R . .
C14 C 0.37012(15) 0.74598(14) 0.88898(5) 0.0184(3) Uani 1 1 d . . .
C15 C 0.45903(14) 0.84129(14) 0.91535(5) 0.0184(3) Uani 1 1 d . . .
H10 H 0.5382 0.8595 0.9188 0.022 Uiso 1 1 calc R . .
C16 C 0.41014(14) 0.90123(14) 0.93460(5) 0.0169(3) Uani 1 1 d . . .
C17 C 0.47531(14) 1.01549(14) 0.95905(5) 0.0167(3) Uani 1 1 d . . .
C18 C 0.58424(14) 1.09523(15) 0.93961(5) 0.0192(3) Uani 1 1 d . . .
H11 H 0.6101 1.0734 0.9122 0.023 Uiso 1 1 calc R . .
C19 C 0.65562(14) 1.20501(15) 0.95905(5) 0.0208(3) Uani 1 1 d . . .
H12 H 0.7293 1.2575 0.9452 0.025 Uiso 1 1 calc R . .
C20 C 0.61805(15) 1.23737(15) 0.99914(5) 0.0213(3) Uani 1 1 d . . .
H13 H 0.6657 1.3126 1.0128 0.026 Uiso 1 1 calc R . .
C21 C 0.51103(14) 1.15943(15) 1.01896(5) 0.0203(3) Uani 1 1 d . . .
H14 H 0.4863 1.1823 1.0464 0.024 Uiso 1 1 calc R . .
C22 C 0.43769(14) 1.04789(14) 0.99995(5) 0.0176(3) Uani 1 1 d . . .
C23 C 0.04082(14) 0.78083(14) 0.93073(5) 0.0184(3) Uani 1 1 d . . .
C24 C -0.02743(15) 0.80339(15) 0.89955(5) 0.0213(3) Uani 1 1 d . . .
H15 H 0.0040 0.8789 0.8856 0.026 Uiso 1 1 calc R . .
C25 C -0.14116(16) 0.71625(17) 0.88870(6) 0.0253(4) Uani 1 1 d . . .
H16 H -0.1856 0.7330 0.8669 0.030 Uiso 1 1 calc R . .
C26 C -0.19142(15) 0.60563(16) 0.90886(6) 0.0260(4) Uani 1 1 d . . .
C27 C -0.12282(15) 0.58250(15) 0.93966(6) 0.0251(4) Uani 1 1 d . . .
H17 H -0.1546 0.5070 0.9536 0.030 Uiso 1 1 calc R . .
C28 C -0.00877(15) 0.66855(15) 0.95020(5) 0.0212(3) Uani 1 1 d . . .
H18 H 0.0365 0.6507 0.9711 0.025 Uiso 1 1 calc R . .
C29 C -0.31620(17) 0.51370(19) 0.89883(7) 0.0366(5) Uani 1 1 d . . .
H19 H -0.3400 0.5296 0.8683 0.055 Uiso 1 1 calc R . .
H20 H -0.3674 0.5153 0.9235 0.055 Uiso 1 1 calc R . .
H21 H -0.3227 0.4362 0.8981 0.055 Uiso 1 1 calc R . .
C30 C 0.23652(14) 1.04174(14) 0.92125(5) 0.0191(3) Uani 1 1 d . . .
C31 C 0.17519(17) 1.09571(16) 0.93848(6) 0.0260(4) Uani 1 1 d . . .
H22 H 0.1065 1.0514 0.9569 0.031 Uiso 1 1 calc R . .
C32 C 0.21309(18) 1.21225(17) 0.92911(6) 0.0301(4) Uani 1 1 d . . .
H23 H 0.1699 1.2469 0.9409 0.036 Uiso 1 1 calc R . .
C33 C 0.31336(17) 1.27910(16) 0.90277(6) 0.0287(4) Uani 1 1 d . . .
C34 C 0.37319(16) 1.22604(16) 0.88468(6) 0.0271(4) Uani 1 1 d . . .
H24 H 0.4413 1.2708 0.8660 0.033 Uiso 1 1 calc R . .
C35 C 0.33520(14) 1.10893(15) 0.89336(5) 0.0210(3) Uani 1 1 d . . .
H25 H 0.3767 1.0739 0.8802 0.025 Uiso 1 1 calc R . .
C36 C 0.3554(2) 1.40654(18) 0.89346(9) 0.0443(5) Uani 1 1 d . . .
H26 H 0.4117 1.4546 0.9178 0.067 Uiso 1 1 calc R . .
H27 H 0.2884 1.4197 0.8939 0.067 Uiso 1 1 calc R . .
H28 H 0.3935 1.4283 0.8626 0.067 Uiso 1 1 calc R . .
C37 C -0.3091(2) 0.6909(2) 1.0000 0.0311(6) Uani 1 2 d SU . .
H29 H -0.2842 0.7545 1.0235 0.037 Uiso 0.50 1 calc PR . .
H30 H -0.2455 0.7158 0.9765 0.037 Uiso 0.50 1 calc PR . .
Cl1 Cl -0.43798(5) 0.66897(5) 0.971624(15) 0.03862(13) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.391(2) . ?
C1 N1 1.402(2) . ?
C1 C6 1.416(2) . ?
C2 C3 1.381(2) . ?
C2 H1 0.9500 . ?
C3 C4 1.395(3) . ?
C3 H2 0.9500 . ?
C4 C5 1.377(3) . ?
C4 H3 0.9500 . ?
C5 C6 1.399(2) . ?
C5 H4 0.9500 . ?
C6 C7 1.424(2) . ?
C7 C8 1.361(2) . ?
C7 H5 0.9500 . ?
C8 N1 1.407(2) . ?
C8 C22 1.474(2) . ?
N1 Si1 1.7674(13) . ?
Si1 N2 1.7607(14) . ?
Si1 C30 1.8445(17) . ?
Si1 C23 1.8485(17) . ?
N2 C16 1.409(2) . ?
N2 C9 1.409(2) . ?
C9 C10 1.401(2) . ?
C9 C14 1.410(2) . ?
C10 C11 1.375(2) . ?
C10 H6 0.9500 . ?
C11 C12 1.399(3) . ?
C11 H7 0.9500 . ?
C12 C13 1.383(3) . ?
C12 H8 0.9500 . ?
C13 C14 1.402(2) . ?
C13 H9 0.9500 . ?
C14 C15 1.426(2) . ?
C15 C16 1.357(2) . ?
C15 H10 0.9500 . ?
C16 C17 1.479(2) . ?
C17 C18 1.399(2) . ?
C17 C22 1.410(2) . ?
C18 C19 1.384(2) . ?
C18 H11 0.9500 . ?
C19 C20 1.391(2) . ?
C19 H12 0.9500 . ?
C20 C21 1.381(2) . ?
C20 H13 0.9500 . ?
C21 C22 1.400(2) . ?
C21 H14 0.9500 . ?
C23 C24 1.395(2) . ?
C23 C28 1.396(2) . ?
C24 C25 1.390(3) . ?
C24 H15 0.9500 . ?
C25 C26 1.386(3) . ?
C25 H16 0.9500 . ?
C26 C27 1.396(3) . ?
C26 C29 1.501(3) . ?
C27 C28 1.387(3) . ?
C27 H17 0.9500 . ?
C28 H18 0.9500 . ?
C29 H19 0.9800 . ?
C29 H20 0.9800 . ?
C29 H21 0.9800 . ?
C30 C35 1.396(2) . ?
C30 C31 1.403(2) . ?
C31 C32 1.380(3) . ?
C31 H22 0.9500 . ?
C32 C33 1.383(3) . ?
C32 H23 0.9500 . ?
C33 C34 1.386(3) . ?
C33 C36 1.503(3) . ?
C34 C35 1.384(3) . ?
C34 H24 0.9500 . ?
C35 H25 0.9500 . ?
C36 H26 0.9800 . ?
C36 H27 0.9800 . ?
C36 H28 0.9800 . ?
C37 Cl1 1.7661(17) . ?
C37 Cl1 1.7661(17) 6_467 ?
C37 H29 0.9900 . ?
C37 H30 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 N1 131.06(14) . . ?
C2 C1 C6 120.58(14) . . ?
N1 C1 C6 108.24(14) . . ?
C3 C2 C1 118.30(16) . . ?
C3 C2 H1 120.8 . . ?
C1 C2 H1 120.8 . . ?
C2 C3 C4 121.72(17) . . ?
C2 C3 H2 119.1 . . ?
C4 C3 H2 119.1 . . ?
C5 C4 C3 120.38(15) . . ?
C5 C4 H3 119.8 . . ?
C3 C4 H3 119.8 . . ?
C4 C5 C6 119.21(16) . . ?
C4 C5 H4 120.4 . . ?
C6 C5 H4 120.4 . . ?
C5 C6 C1 119.71(16) . . ?
C5 C6 C7 133.53(16) . . ?
C1 C6 C7 106.67(14) . . ?
C8 C7 C6 108.26(14) . . ?
C8 C7 H5 125.9 . . ?
C6 C7 H5 125.9 . . ?
C7 C8 N1 109.76(13) . . ?
C7 C8 C22 125.20(14) . . ?
N1 C8 C22 124.43(13) . . ?
C1 N1 C8 106.87(12) . . ?
C1 N1 Si1 129.72(11) . . ?
C8 N1 Si1 123.33(10) . . ?
N2 Si1 N1 105.93(6) . . ?
N2 Si1 C30 110.83(7) . . ?
N1 Si1 C30 105.45(7) . . ?
N2 Si1 C23 109.69(7) . . ?
N1 Si1 C23 110.03(7) . . ?
C30 Si1 C23 114.49(8) . . ?
C16 N2 C9 106.29(13) . . ?
C16 N2 Si1 124.37(10) . . ?
C9 N2 Si1 129.30(11) . . ?
C10 C9 N2 131.00(15) . . ?
C10 C9 C14 120.58(15) . . ?
N2 C9 C14 108.34(14) . . ?
C11 C10 C9 118.02(16) . . ?
C11 C10 H6 121.0 . . ?
C9 C10 H6 121.0 . . ?
C10 C11 C12 121.91(16) . . ?
C10 C11 H7 119.0 . . ?
C12 C11 H7 119.0 . . ?
C13 C12 C11 120.65(15) . . ?
C13 C12 H8 119.7 . . ?
C11 C12 H8 119.7 . . ?
C12 C13 C14 118.47(16) . . ?
C12 C13 H9 120.8 . . ?
C14 C13 H9 120.8 . . ?
C13 C14 C9 120.34(16) . . ?
C13 C14 C15 132.49(16) . . ?
C9 C14 C15 107.13(14) . . ?
C16 C15 C14 107.69(15) . . ?
C16 C15 H10 126.2 . . ?
C14 C15 H10 126.2 . . ?
C15 C16 N2 110.51(13) . . ?
C15 C16 C17 125.27(15) . . ?
N2 C16 C17 123.70(14) . . ?
C18 C17 C22 118.80(15) . . ?
C18 C17 C16 115.63(14) . . ?
C22 C17 C16 125.56(14) . . ?
C19 C18 C17 122.07(14) . . ?
C19 C18 H11 119.0 . . ?
C17 C18 H11 119.0 . . ?
C18 C19 C20 119.13(15) . . ?
C18 C19 H12 120.4 . . ?
C20 C19 H12 120.4 . . ?
C21 C20 C19 119.55(15) . . ?
C21 C20 H13 120.2 . . ?
C19 C20 H13 120.2 . . ?
C20 C21 C22 122.23(15) . . ?
C20 C21 H14 118.9 . . ?
C22 C21 H14 118.9 . . ?
C21 C22 C17 118.21(15) . . ?
C21 C22 C8 115.79(13) . . ?
C17 C22 C8 125.98(14) . . ?
C24 C23 C28 117.83(15) . . ?
C24 C23 Si1 120.86(13) . . ?
C28 C23 Si1 121.25(12) . . ?
C25 C24 C23 120.48(16) . . ?
C25 C24 H15 119.8 . . ?
C23 C24 H15 119.8 . . ?
C26 C25 C24 121.73(16) . . ?
C26 C25 H16 119.1 . . ?
C24 C25 H16 119.1 . . ?
C25 C26 C27 117.85(16) . . ?
C25 C26 C29 121.53(18) . . ?
C27 C26 C29 120.62(18) . . ?
C28 C27 C26 120.73(17) . . ?
C28 C27 H17 119.6 . . ?
C26 C27 H17 119.6 . . ?
C27 C28 C23 121.35(16) . . ?
C27 C28 H18 119.3 . . ?
C23 C28 H18 119.3 . . ?
C26 C29 H19 109.5 . . ?
C26 C29 H20 109.5 . . ?
H19 C29 H20 109.5 . . ?
C26 C29 H21 109.5 . . ?
H19 C29 H21 109.5 . . ?
H20 C29 H21 109.5 . . ?
C35 C30 C31 117.77(15) . . ?
C35 C30 Si1 123.96(12) . . ?
C31 C30 Si1 117.69(12) . . ?
C32 C31 C30 121.01(17) . . ?
C32 C31 H22 119.5 . . ?
C30 C31 H22 119.5 . . ?
C31 C32 C33 120.69(17) . . ?
C31 C32 H23 119.7 . . ?
C33 C32 H23 119.7 . . ?
C32 C33 C34 118.80(17) . . ?
C32 C33 C36 120.43(18) . . ?
C34 C33 C36 120.77(18) . . ?
C35 C34 C33 120.99(17) . . ?
C35 C34 H24 119.5 . . ?
C33 C34 H24 119.5 . . ?
C34 C35 C30 120.68(16) . . ?
C34 C35 H25 119.7 . . ?
C30 C35 H25 119.7 . . ?
C33 C36 H26 109.5 . . ?
C33 C36 H27 109.5 . . ?
H26 C36 H27 109.5 . . ?
C33 C36 H28 109.5 . . ?
H26 C36 H28 109.5 . . ?
H27 C36 H28 109.5 . . ?
Cl1 C37 Cl1 111.66(16) . 6_467 ?
Cl1 C37 H29 109.3 . . ?
Cl1 C37 H29 109.3 6_467 . ?
Cl1 C37 H30 109.3 . . ?
Cl1 C37 H30 109.3 6_467 . ?
H29 C37 H30 107.9 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 C3 -177.41(17) . . . . ?
C6 C1 C2 C3 -1.9(2) . . . . ?
C1 C2 C3 C4 -0.1(3) . . . . ?
C2 C3 C4 C5 0.5(3) . . . . ?
C3 C4 C5 C6 1.1(3) . . . . ?
C4 C5 C6 C1 -3.0(3) . . . . ?
C4 C5 C6 C7 173.09(17) . . . . ?
C2 C1 C6 C5 3.5(2) . . . . ?
N1 C1 C6 C5 179.90(15) . . . . ?
C2 C1 C6 C7 -173.58(15) . . . . ?
N1 C1 C6 C7 2.87(18) . . . . ?
C5 C6 C7 C8 -176.59(19) . . . . ?
C1 C6 C7 C8 -0.15(18) . . . . ?
C6 C7 C8 N1 -2.65(18) . . . . ?
C6 C7 C8 C22 168.66(15) . . . . ?
C2 C1 N1 C8 171.52(17) . . . . ?
C6 C1 N1 C8 -4.43(17) . . . . ?
C2 C1 N1 Si1 -5.4(3) . . . . ?
C6 C1 N1 Si1 178.67(11) . . . . ?
C7 C8 N1 C1 4.42(18) . . . . ?
C22 C8 N1 C1 -166.98(14) . . . . ?
C7 C8 N1 Si1 -178.43(11) . . . . ?
C22 C8 N1 Si1 10.2(2) . . . . ?
C1 N1 Si1 N2 -134.48(14) . . . . ?
C8 N1 Si1 N2 49.07(14) . . . . ?
C1 N1 Si1 C30 107.97(15) . . . . ?
C8 N1 Si1 C30 -68.49(14) . . . . ?
C1 N1 Si1 C23 -15.99(16) . . . . ?
C8 N1 Si1 C23 167.56(12) . . . . ?
N1 Si1 N2 C16 -48.09(13) . . . . ?
C30 Si1 N2 C16 65.80(13) . . . . ?
C23 Si1 N2 C16 -166.80(11) . . . . ?
N1 Si1 N2 C9 129.42(12) . . . . ?
C30 Si1 N2 C9 -116.69(13) . . . . ?
C23 Si1 N2 C9 10.70(14) . . . . ?
C16 N2 C9 C10 -174.57(15) . . . . ?
Si1 N2 C9 C10 7.6(2) . . . . ?
C16 N2 C9 C14 2.08(15) . . . . ?
Si1 N2 C9 C14 -175.77(11) . . . . ?
N2 C9 C10 C11 177.83(14) . . . . ?
C14 C9 C10 C11 1.5(2) . . . . ?
C9 C10 C11 C12 0.0(2) . . . . ?
C10 C11 C12 C13 -0.7(2) . . . . ?
C11 C12 C13 C14 -0.1(2) . . . . ?
C12 C13 C14 C9 1.6(2) . . . . ?
C12 C13 C14 C15 -175.67(16) . . . . ?
C10 C9 C14 C13 -2.3(2) . . . . ?
N2 C9 C14 C13 -179.40(13) . . . . ?
C10 C9 C14 C15 175.56(13) . . . . ?
N2 C9 C14 C15 -1.51(16) . . . . ?
C13 C14 C15 C16 177.85(17) . . . . ?
C9 C14 C15 C16 0.32(17) . . . . ?
C14 C15 C16 N2 1.01(17) . . . . ?
C14 C15 C16 C17 -170.98(14) . . . . ?
C9 N2 C16 C15 -1.93(16) . . . . ?
Si1 N2 C16 C15 176.06(11) . . . . ?
C9 N2 C16 C17 170.20(13) . . . . ?
Si1 N2 C16 C17 -11.8(2) . . . . ?
C15 C16 C17 C18 38.2(2) . . . . ?
N2 C16 C17 C18 -132.80(15) . . . . ?
C15 C16 C17 C22 -140.42(16) . . . . ?
N2 C16 C17 C22 48.6(2) . . . . ?
C22 C17 C18 C19 -0.5(2) . . . . ?
C16 C17 C18 C19 -179.20(14) . . . . ?
C17 C18 C19 C20 -0.1(2) . . . . ?
C18 C19 C20 C21 0.5(2) . . . . ?
C19 C20 C21 C22 -0.3(2) . . . . ?
C20 C21 C22 C17 -0.3(2) . . . . ?
C20 C21 C22 C8 178.06(15) . . . . ?
C18 C17 C22 C21 0.7(2) . . . . ?
C16 C17 C22 C21 179.23(14) . . . . ?
C18 C17 C22 C8 -177.50(14) . . . . ?
C16 C17 C22 C8 1.0(2) . . . . ?
C7 C8 C22 C21 -37.6(2) . . . . ?
N1 C8 C22 C21 132.44(16) . . . . ?
C7 C8 C22 C17 140.59(17) . . . . ?
N1 C8 C22 C17 -49.3(2) . . . . ?
N2 Si1 C23 C24 -114.57(13) . . . . ?
N1 Si1 C23 C24 129.29(12) . . . . ?
C30 Si1 C23 C24 10.75(15) . . . . ?
N2 Si1 C23 C28 62.64(14) . . . . ?
N1 Si1 C23 C28 -53.51(14) . . . . ?
C30 Si1 C23 C28 -172.04(12) . . . . ?
C28 C23 C24 C25 0.3(2) . . . . ?
Si1 C23 C24 C25 177.58(12) . . . . ?
C23 C24 C25 C26 1.3(2) . . . . ?
C24 C25 C26 C27 -1.9(2) . . . . ?
C24 C25 C26 C29 177.00(15) . . . . ?
C25 C26 C27 C28 1.1(2) . . . . ?
C29 C26 C27 C28 -177.85(15) . . . . ?
C26 C27 C28 C23 0.4(2) . . . . ?
C24 C23 C28 C27 -1.1(2) . . . . ?
Si1 C23 C28 C27 -178.39(12) . . . . ?
N2 Si1 C30 C35 -2.92(15) . . . . ?
N1 Si1 C30 C35 111.27(13) . . . . ?
C23 Si1 C30 C35 -127.63(13) . . . . ?
N2 Si1 C30 C31 -173.97(12) . . . . ?
N1 Si1 C30 C31 -59.78(14) . . . . ?
C23 Si1 C30 C31 61.31(14) . . . . ?
C35 C30 C31 C32 -1.6(2) . . . . ?
Si1 C30 C31 C32 169.98(14) . . . . ?
C30 C31 C32 C33 -0.6(3) . . . . ?
C31 C32 C33 C34 2.0(3) . . . . ?
C31 C32 C33 C36 -178.87(18) . . . . ?
C32 C33 C34 C35 -1.2(3) . . . . ?
C36 C33 C34 C35 179.66(17) . . . . ?
C33 C34 C35 C30 -1.0(2) . . . . ?
C31 C30 C35 C34 2.4(2) . . . . ?
Si1 C30 C35 C34 -168.63(13) . . . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        66.99
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         0.317
_refine_diff_density_min         -0.301
_refine_diff_density_rms         0.044
_exptl_crystal_recrystallization_method 'Vapour Deposition'
