# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_t_0m
_database_code_depnum_ccdc_archive 'CCDC 1508602'
_audit_update_record             
;
2016-10-06 deposited with the CCDC.
2016-10-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C21 H24 N2 O Si'
_chemical_formula_sum            'C21 H24 N2 O Si'
_chemical_formula_weight         348.51

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'
O O 0.0492 0.0322 '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'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.0800(3)
_cell_length_b                   11.8813(4)
_cell_length_c                   16.5509(6)
_cell_angle_alpha                88.653(2)
_cell_angle_beta                 86.499(2)
_cell_angle_gamma                89.381(2)
_cell_volume                     1977.86(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9858
_cell_measurement_theta_min      4.54
_cell_measurement_theta_max      68.38

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.170
_exptl_crystal_F_000             744
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    1.117
_shelx_estimated_absorpt_T_min   0.807
_shelx_estimated_absorpt_T_max   0.807
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            24223
_diffrn_reflns_av_unetI/netI     0.0389
_diffrn_reflns_av_R_equivalents  0.0481
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.675
_diffrn_reflns_theta_max         62.384
_diffrn_reflns_theta_full        62.384
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measured_fraction_theta_full 0.961
_diffrn_reflns_Laue_measured_fraction_max 0.961
_diffrn_reflns_Laue_measured_fraction_full 0.961
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_point_group_measured_fraction_full 0.961
_reflns_number_total             6044
_reflns_number_gt                4628
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0603P)²+1.9953P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6044
_refine_ls_number_parameters     457
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0715
_refine_ls_R_factor_gt           0.0536
_refine_ls_wR_factor_ref         0.1518
_refine_ls_wR_factor_gt          0.1413
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.033
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.31579(8) 0.36448(8) 0.90764(5) 0.0440(2) Uani 1 1 d . . . . .
C1 C 0.1204(3) 0.3647(2) 0.53533(17) 0.0367(7) Uani 1 1 d . . . . .
N1 N 0.1902(2) 0.3616(2) 0.60604(14) 0.0425(6) Uani 1 1 d . . . . .
H1 H 0.2733 0.3836 0.5997 0.051 Uiso 1 1 calc R U . . .
O1 O 0.0365(2) 0.2983(2) 0.70128(13) 0.0546(6) Uani 1 1 d . . . . .
Si2 Si 0.81637(8) 0.13847(8) 0.90217(5) 0.0449(2) Uani 1 1 d . . . . .
C2 C -0.0033(3) 0.3213(3) 0.52707(18) 0.0420(7) Uani 1 1 d . . . . .
H2 H -0.0501 0.2856 0.5721 0.050 Uiso 1 1 calc R U . . .
N2 N 0.3126(2) 0.4605(2) 0.47949(16) 0.0465(6) Uani 1 1 d . . . . .
O2 O 0.5362(2) 0.2138(2) 0.69333(13) 0.0571(6) Uani 1 1 d . . . . .
N3 N 0.6901(2) 0.1458(2) 0.60122(14) 0.0434(6) Uani 1 1 d . . . . .
H3A H 0.7739 0.1240 0.5960 0.052 Uiso 1 1 calc R U . . .
C3 C -0.0608(3) 0.3296(3) 0.4521(2) 0.0478(8) Uani 1 1 d . . . . .
H3 H -0.1459 0.2980 0.4469 0.057 Uiso 1 1 calc R U . . .
N4 N 0.8111(2) 0.0363(2) 0.48098(16) 0.0469(7) Uani 1 1 d . . . . .
C4 C 0.0017(3) 0.3814(3) 0.38689(19) 0.0481(8) Uani 1 1 d . . . . .
H4 H -0.0400 0.3868 0.3370 0.058 Uiso 1 1 calc R U . . .
C6 C 0.1892(3) 0.4187(2) 0.46746(17) 0.0377(7) Uani 1 1 d . . . . .
C5 C 0.1295(3) 0.4277(3) 0.39333(18) 0.0422(7) Uani 1 1 d . . . . .
C9 C 0.2003(4) 0.4850(3) 0.3290(2) 0.0559(9) Uani 1 1 d . . . . .
H9 H 0.1631 0.4942 0.2779 0.067 Uiso 1 1 calc R U . . .
C8 C 0.3225(4) 0.5271(3) 0.3411(2) 0.0619(10) Uani 1 1 d . . . . .
H8 H 0.3718 0.5654 0.2983 0.074 Uiso 1 1 calc R U . . .
C7 C 0.3744(4) 0.5135(3) 0.4168(2) 0.0587(9) Uani 1 1 d . . . . .
H7 H 0.4595 0.5440 0.4240 0.070 Uiso 1 1 calc R U . . .
C11 C 0.2549(3) 0.3336(3) 0.74297(19) 0.0478(8) Uani 1 1 d . . . . .
H11A H 0.3344 0.3718 0.7178 0.057 Uiso 1 1 calc R U . . .
H11B H 0.2811 0.2556 0.7577 0.057 Uiso 1 1 calc R U . . .
C10 C 0.1494(3) 0.3303(3) 0.68238(18) 0.0429(7) Uani 1 1 d . . . . .
C14 C 0.0760(3) 0.5746(3) 0.84447(18) 0.0457(8) Uani 1 1 d . . . . .
H14 H 0.0124 0.5315 0.8762 0.055 Uiso 1 1 calc R U . . .
C13 C 0.1862(3) 0.5199(3) 0.80716(17) 0.0397(7) Uani 1 1 d . . . . .
C12 C 0.2073(3) 0.3953(3) 0.82003(17) 0.0386(7) Uani 1 1 d . . . . .
H12 H 0.1179 0.3639 0.8368 0.046 Uiso 1 1 calc R U . . .
C15 C 0.0572(4) 0.6884(3) 0.8367(2) 0.0594(9) Uani 1 1 d . . . . .
H15 H -0.0184 0.7228 0.8633 0.071 Uiso 1 1 calc R U . . .
C16 C 0.1465(4) 0.7538(3) 0.7906(2) 0.0669(11) Uani 1 1 d . . . . .
H16 H 0.1329 0.8327 0.7850 0.080 Uiso 1 1 calc R U . . .
C17 C 0.2564(4) 0.7022(3) 0.7527(2) 0.0647(11) Uani 1 1 d . . . . .
H17 H 0.3191 0.7462 0.7210 0.078 Uiso 1 1 calc R U . . .
C18 C 0.2756(3) 0.5873(3) 0.7605(2) 0.0526(9) Uani 1 1 d . . . . .
H18 H 0.3513 0.5534 0.7336 0.063 Uiso 1 1 calc R U . . .
C19 C 0.2278(4) 0.4174(4) 1.0011(2) 0.0674(11) Uani 1 1 d . . . . .
H19A H 0.2797 0.3983 1.0478 0.101 Uiso 1 1 calc R U . . .
H19B H 0.1402 0.3824 1.0085 0.101 Uiso 1 1 calc R U . . .
H19C H 0.2171 0.4993 0.9965 0.101 Uiso 1 1 calc R U . . .
C20 C 0.4809(4) 0.4310(4) 0.8893(2) 0.0794(14) Uani 1 1 d . . . . .
H20A H 0.5361 0.4124 0.9346 0.119 Uiso 1 1 calc R U . . .
H20B H 0.4697 0.5128 0.8846 0.119 Uiso 1 1 calc R U . . .
H20C H 0.5242 0.4027 0.8391 0.119 Uiso 1 1 calc R U . . .
C21 C 0.3385(4) 0.2098(4) 0.9179(3) 0.0774(12) Uani 1 1 d . . . . .
H21A H 0.3937 0.1925 0.9634 0.116 Uiso 1 1 calc R U . . .
H21B H 0.3822 0.1811 0.8680 0.116 Uiso 1 1 calc R U . . .
H21C H 0.2516 0.1742 0.9279 0.116 Uiso 1 1 calc R U . . .
C22 C 0.6203(3) 0.1400(2) 0.53063(17) 0.0363(7) Uani 1 1 d . . . . .
C23 C 0.4968(3) 0.1860(3) 0.51989(19) 0.0428(7) Uani 1 1 d . . . . .
H23 H 0.4516 0.2270 0.5620 0.051 Uiso 1 1 calc R U . . .
C24 C 0.4380(3) 0.1717(3) 0.4459(2) 0.0489(8) Uani 1 1 d . . . . .
H24 H 0.3532 0.2045 0.4384 0.059 Uiso 1 1 calc R U . . .
C25 C 0.4993(3) 0.1122(3) 0.38477(19) 0.0476(8) Uani 1 1 d . . . . .
H25 H 0.4563 0.1028 0.3359 0.057 Uiso 1 1 calc R U . . .
C26 C 0.6267(3) 0.0643(3) 0.39383(18) 0.0415(7) Uani 1 1 d . . . . .
C27 C 0.6880(3) 0.0791(2) 0.46693(17) 0.0377(7) Uani 1 1 d . . . . .
C28 C 0.8721(3) -0.0219(3) 0.4222(2) 0.0575(9) Uani 1 1 d . . . . .
H28 H 0.9577 -0.0522 0.4311 0.069 Uiso 1 1 calc R U . . .
C29 C 0.8188(4) -0.0417(3) 0.3481(2) 0.0616(10) Uani 1 1 d . . . . .
H29 H 0.8672 -0.0843 0.3081 0.074 Uiso 1 1 calc R U . . .
C30 C 0.6972(4) 0.0009(3) 0.3340(2) 0.0563(9) Uani 1 1 d . . . . .
H30 H 0.6593 -0.0119 0.2839 0.068 Uiso 1 1 calc R U . . .
C31 C 0.6482(3) 0.1798(3) 0.67593(18) 0.0428(7) Uani 1 1 d . . . . .
C32 C 0.7538(3) 0.1746(3) 0.73777(18) 0.0470(8) Uani 1 1 d . . . . .
H32A H 0.7786 0.2522 0.7509 0.056 Uiso 1 1 calc R U . . .
H32B H 0.8342 0.1365 0.7138 0.056 Uiso 1 1 calc R U . . .
C33 C 0.7064(3) 0.1118(3) 0.81581(17) 0.0400(7) Uani 1 1 d . . . . .
H33 H 0.6173 0.1445 0.8323 0.048 Uiso 1 1 calc R U . . .
C34 C 0.6850(3) -0.0123(3) 0.80569(17) 0.0406(7) Uani 1 1 d . . . . .
C35 C 0.5748(3) -0.0651(3) 0.84388(18) 0.0459(8) Uani 1 1 d . . . . .
H35 H 0.5116 -0.0215 0.8748 0.055 Uiso 1 1 calc R U . . .
C36 C 0.5552(4) -0.1791(3) 0.8380(2) 0.0561(9) Uani 1 1 d . . . . .
H36 H 0.4792 -0.2128 0.8649 0.067 Uiso 1 1 calc R U . . .
C37 C 0.6447(4) -0.2446(3) 0.7935(2) 0.0632(10) Uani 1 1 d . . . . .
H37 H 0.6311 -0.3232 0.7896 0.076 Uiso 1 1 calc R U . . .
C38 C 0.7549(4) -0.1942(3) 0.7545(2) 0.0606(10) Uani 1 1 d . . . . .
H38 H 0.8171 -0.2384 0.7233 0.073 Uiso 1 1 calc R U . . .
C39 C 0.7748(3) -0.0798(3) 0.7608(2) 0.0512(8) Uani 1 1 d . . . . .
H39 H 0.8512 -0.0466 0.7339 0.061 Uiso 1 1 calc R U . . .
C40 C 0.7263(4) 0.0905(4) 0.9981(2) 0.0663(11) Uani 1 1 d . . . . .
H40A H 0.7785 0.1086 1.0441 0.099 Uiso 1 1 calc R U . . .
H40B H 0.7133 0.0089 0.9971 0.099 Uiso 1 1 calc R U . . .
H40C H 0.6397 0.1287 1.0037 0.099 Uiso 1 1 calc R U . . .
C41 C 0.8465(4) 0.2921(3) 0.9056(2) 0.0677(11) Uani 1 1 d . . . . .
H41A H 0.8999 0.3077 0.9515 0.102 Uiso 1 1 calc R U . . .
H41B H 0.7613 0.3323 0.9120 0.102 Uiso 1 1 calc R U . . .
H41C H 0.8942 0.3173 0.8552 0.102 Uiso 1 1 calc R U . . .
C42 C 0.9786(4) 0.0632(4) 0.8864(2) 0.0765(13) Uani 1 1 d . . . . .
H42A H 1.0360 0.0815 0.9299 0.115 Uiso 1 1 calc R U . . .
H42B H 1.0216 0.0867 0.8341 0.115 Uiso 1 1 calc R U . . .
H42C H 0.9636 -0.0182 0.8869 0.115 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Si1 C21 1.854(4) . ?
Si1 C19 1.855(4) . ?
Si1 C20 1.855(4) . ?
Si1 C12 1.896(3) . ?
C1 C2 1.371(4) . ?
C1 N1 1.401(4) . ?
C1 C6 1.427(4) . ?
N1 C10 1.350(4) . ?
N1 H1 0.8800 . ?
O1 C10 1.224(3) . ?
Si2 C41 1.856(4) . ?
Si2 C40 1.861(4) . ?
Si2 C42 1.862(4) . ?
Si2 C33 1.896(3) . ?
C2 C3 1.402(4) . ?
C2 H2 0.9500 . ?
N2 C7 1.327(4) . ?
N2 C6 1.372(4) . ?
O2 C31 1.215(4) . ?
N3 C31 1.351(4) . ?
N3 C22 1.404(4) . ?
N3 H3A 0.8800 . ?
C3 C4 1.355(5) . ?
C3 H3 0.9500 . ?
N4 C28 1.324(4) . ?
N4 C27 1.366(4) . ?
C4 C5 1.417(4) . ?
C4 H4 0.9500 . ?
C6 C5 1.401(4) . ?
C5 C9 1.411(5) . ?
C9 C8 1.363(5) . ?
C9 H9 0.9500 . ?
C8 C7 1.392(5) . ?
C8 H8 0.9500 . ?
C7 H7 0.9500 . ?
C11 C10 1.507(4) . ?
C11 C12 1.535(4) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C14 C15 1.368(5) . ?
C14 C13 1.399(4) . ?
C14 H14 0.9500 . ?
C13 C18 1.397(4) . ?
C13 C12 1.505(4) . ?
C12 H12 1.0000 . ?
C15 C16 1.378(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.383(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.381(5) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.374(4) . ?
C22 C27 1.427(4) . ?
C23 C24 1.406(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.362(5) . ?
C24 H24 0.9500 . ?
C25 C26 1.413(5) . ?
C25 H25 0.9500 . ?
C26 C27 1.407(4) . ?
C26 C30 1.411(5) . ?
C28 C29 1.395(5) . ?
C28 H28 0.9500 . ?
C29 C30 1.352(5) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.521(4) . ?
C32 C33 1.530(4) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.506(4) . ?
C33 H33 1.0000 . ?
C34 C35 1.392(4) . ?
C34 C39 1.396(5) . ?
C35 C36 1.377(5) . ?
C35 H35 0.9500 . ?
C36 C37 1.375(5) . ?
C36 H36 0.9500 . ?
C37 C38 1.385(5) . ?
C37 H37 0.9500 . ?
C38 C39 1.383(5) . ?
C38 H38 0.9500 . ?
C39 H39 0.9500 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 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
C21 Si1 C19 109.1(2) . . ?
C21 Si1 C20 109.1(2) . . ?
C19 Si1 C20 111.3(2) . . ?
C21 Si1 C12 108.51(16) . . ?
C19 Si1 C12 108.01(15) . . ?
C20 Si1 C12 110.83(15) . . ?
C2 C1 N1 126.1(3) . . ?
C2 C1 C6 119.5(3) . . ?
N1 C1 C6 114.4(2) . . ?
C10 N1 C1 130.0(2) . . ?
C10 N1 H1 115.0 . . ?
C1 N1 H1 115.0 . . ?
C41 Si2 C40 109.46(19) . . ?
C41 Si2 C42 109.1(2) . . ?
C40 Si2 C42 111.1(2) . . ?
C41 Si2 C33 108.42(16) . . ?
C40 Si2 C33 108.06(15) . . ?
C42 Si2 C33 110.62(16) . . ?
C1 C2 C3 119.9(3) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 H2 120.1 . . ?
C7 N2 C6 116.5(3) . . ?
C31 N3 C22 129.8(3) . . ?
C31 N3 H3A 115.1 . . ?
C22 N3 H3A 115.1 . . ?
C4 C3 C2 121.8(3) . . ?
C4 C3 H3 119.1 . . ?
C2 C3 H3 119.1 . . ?
C28 N4 C27 116.9(3) . . ?
C3 C4 C5 119.8(3) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
N2 C6 C5 123.3(3) . . ?
N2 C6 C1 116.8(3) . . ?
C5 C6 C1 119.8(3) . . ?
C6 C5 C9 117.4(3) . . ?
C6 C5 C4 119.1(3) . . ?
C9 C5 C4 123.5(3) . . ?
C8 C9 C5 119.3(3) . . ?
C8 C9 H9 120.4 . . ?
C5 C9 H9 120.4 . . ?
C9 C8 C7 119.3(3) . . ?
C9 C8 H8 120.3 . . ?
C7 C8 H8 120.3 . . ?
N2 C7 C8 124.2(3) . . ?
N2 C7 H7 117.9 . . ?
C8 C7 H7 117.9 . . ?
C10 C11 C12 112.3(3) . . ?
C10 C11 H11A 109.1 . . ?
C12 C11 H11A 109.1 . . ?
C10 C11 H11B 109.1 . . ?
C12 C11 H11B 109.1 . . ?
H11A C11 H11B 107.9 . . ?
O1 C10 N1 123.0(3) . . ?
O1 C10 C11 121.9(3) . . ?
N1 C10 C11 115.0(3) . . ?
C15 C14 C13 121.9(3) . . ?
C15 C14 H14 119.0 . . ?
C13 C14 H14 119.0 . . ?
C18 C13 C14 116.6(3) . . ?
C18 C13 C12 122.8(3) . . ?
C14 C13 C12 120.6(3) . . ?
C13 C12 C11 113.9(3) . . ?
C13 C12 Si1 111.5(2) . . ?
C11 C12 Si1 112.7(2) . . ?
C13 C12 H12 106.0 . . ?
C11 C12 H12 106.0 . . ?
Si1 C12 H12 106.0 . . ?
C14 C15 C16 120.8(4) . . ?
C14 C15 H15 119.6 . . ?
C16 C15 H15 119.6 . . ?
C15 C16 C17 118.8(4) . . ?
C15 C16 H16 120.6 . . ?
C17 C16 H16 120.6 . . ?
C18 C17 C16 120.6(3) . . ?
C18 C17 H17 119.7 . . ?
C16 C17 H17 119.7 . . ?
C17 C18 C13 121.4(3) . . ?
C17 C18 H18 119.3 . . ?
C13 C18 H18 119.3 . . ?
Si1 C19 H19A 109.5 . . ?
Si1 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si1 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si1 C20 H20A 109.5 . . ?
Si1 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si1 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si1 C21 H21A 109.5 . . ?
Si1 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si1 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 N3 125.7(3) . . ?
C23 C22 C27 120.0(3) . . ?
N3 C22 C27 114.3(3) . . ?
C22 C23 C24 119.3(3) . . ?
C22 C23 H23 120.4 . . ?
C24 C23 H23 120.4 . . ?
C25 C24 C23 121.9(3) . . ?
C25 C24 H24 119.1 . . ?
C23 C24 H24 119.1 . . ?
C24 C25 C26 120.2(3) . . ?
C24 C25 H25 119.9 . . ?
C26 C25 H25 119.9 . . ?
C27 C26 C30 117.1(3) . . ?
C27 C26 C25 118.8(3) . . ?
C30 C26 C25 124.1(3) . . ?
N4 C27 C26 122.9(3) . . ?
N4 C27 C22 117.3(3) . . ?
C26 C27 C22 119.8(3) . . ?
N4 C28 C29 124.2(3) . . ?
N4 C28 H28 117.9 . . ?
C29 C28 H28 117.9 . . ?
C30 C29 C28 118.9(3) . . ?
C30 C29 H29 120.5 . . ?
C28 C29 H29 120.5 . . ?
C29 C30 C26 119.9(3) . . ?
C29 C30 H30 120.0 . . ?
C26 C30 H30 120.0 . . ?
O2 C31 N3 123.7(3) . . ?
O2 C31 C32 121.6(3) . . ?
N3 C31 C32 114.7(3) . . ?
C31 C32 C33 112.4(2) . . ?
C31 C32 H32A 109.1 . . ?
C33 C32 H32A 109.1 . . ?
C31 C32 H32B 109.1 . . ?
C33 C32 H32B 109.1 . . ?
H32A C32 H32B 107.9 . . ?
C34 C33 C32 114.1(2) . . ?
C34 C33 Si2 111.5(2) . . ?
C32 C33 Si2 112.3(2) . . ?
C34 C33 H33 106.1 . . ?
C32 C33 H33 106.1 . . ?
Si2 C33 H33 106.1 . . ?
C35 C34 C39 117.0(3) . . ?
C35 C34 C33 120.4(3) . . ?
C39 C34 C33 122.5(3) . . ?
C36 C35 C34 121.7(3) . . ?
C36 C35 H35 119.2 . . ?
C34 C35 H35 119.2 . . ?
C37 C36 C35 120.6(3) . . ?
C37 C36 H36 119.7 . . ?
C35 C36 H36 119.7 . . ?
C36 C37 C38 119.0(4) . . ?
C36 C37 H37 120.5 . . ?
C38 C37 H37 120.5 . . ?
C39 C38 C37 120.3(4) . . ?
C39 C38 H38 119.8 . . ?
C37 C38 H38 119.8 . . ?
C38 C39 C34 121.3(3) . . ?
C38 C39 H39 119.3 . . ?
C34 C39 H39 119.3 . . ?
Si2 C40 H40A 109.5 . . ?
Si2 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
Si2 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Si2 C41 H41A 109.5 . . ?
Si2 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
Si2 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
Si2 C42 H42A 109.5 . . ?
Si2 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
Si2 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 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
C2 C1 N1 C10 -9.2(5) . . . . ?
C6 C1 N1 C10 171.0(3) . . . . ?
N1 C1 C2 C3 -179.4(3) . . . . ?
C6 C1 C2 C3 0.4(5) . . . . ?
C1 C2 C3 C4 -1.1(5) . . . . ?
C2 C3 C4 C5 0.9(5) . . . . ?
C7 N2 C6 C5 1.3(5) . . . . ?
C7 N2 C6 C1 -178.1(3) . . . . ?
C2 C1 C6 N2 179.9(3) . . . . ?
N1 C1 C6 N2 -0.2(4) . . . . ?
C2 C1 C6 C5 0.5(4) . . . . ?
N1 C1 C6 C5 -179.6(3) . . . . ?
N2 C6 C5 C9 -1.4(5) . . . . ?
C1 C6 C5 C9 178.0(3) . . . . ?
N2 C6 C5 C4 179.8(3) . . . . ?
C1 C6 C5 C4 -0.8(4) . . . . ?
C3 C4 C5 C6 0.1(5) . . . . ?
C3 C4 C5 C9 -178.6(3) . . . . ?
C6 C5 C9 C8 0.9(5) . . . . ?
C4 C5 C9 C8 179.7(3) . . . . ?
C5 C9 C8 C7 -0.5(6) . . . . ?
C6 N2 C7 C8 -0.8(5) . . . . ?
C9 C8 C7 N2 0.5(6) . . . . ?
C1 N1 C10 O1 -0.5(5) . . . . ?
C1 N1 C10 C11 177.6(3) . . . . ?
C12 C11 C10 O1 -50.8(4) . . . . ?
C12 C11 C10 N1 131.1(3) . . . . ?
C15 C14 C13 C18 -0.7(5) . . . . ?
C15 C14 C13 C12 177.2(3) . . . . ?
C18 C13 C12 C11 -43.6(4) . . . . ?
C14 C13 C12 C11 138.6(3) . . . . ?
C18 C13 C12 Si1 85.4(3) . . . . ?
C14 C13 C12 Si1 -92.4(3) . . . . ?
C10 C11 C12 C13 -68.4(3) . . . . ?
C10 C11 C12 Si1 163.2(2) . . . . ?
C21 Si1 C12 C13 -179.1(2) . . . . ?
C19 Si1 C12 C13 62.7(2) . . . . ?
C20 Si1 C12 C13 -59.4(3) . . . . ?
C21 Si1 C12 C11 -49.5(3) . . . . ?
C19 Si1 C12 C11 -167.7(2) . . . . ?
C20 Si1 C12 C11 70.2(3) . . . . ?
C13 C14 C15 C16 0.6(5) . . . . ?
C14 C15 C16 C17 -0.4(5) . . . . ?
C15 C16 C17 C18 0.4(6) . . . . ?
C16 C17 C18 C13 -0.6(5) . . . . ?
C14 C13 C18 C17 0.7(5) . . . . ?
C12 C13 C18 C17 -177.2(3) . . . . ?
C31 N3 C22 C23 11.3(5) . . . . ?
C31 N3 C22 C27 -168.1(3) . . . . ?
N3 C22 C23 C24 -179.0(3) . . . . ?
C27 C22 C23 C24 0.4(4) . . . . ?
C22 C23 C24 C25 0.9(5) . . . . ?
C23 C24 C25 C26 -1.2(5) . . . . ?
C24 C25 C26 C27 0.2(4) . . . . ?
C24 C25 C26 C30 179.6(3) . . . . ?
C28 N4 C27 C26 -0.5(4) . . . . ?
C28 N4 C27 C22 178.7(3) . . . . ?
C30 C26 C27 N4 0.8(4) . . . . ?
C25 C26 C27 N4 -179.8(3) . . . . ?
C30 C26 C27 C22 -178.4(3) . . . . ?
C25 C26 C27 C22 1.0(4) . . . . ?
C23 C22 C27 N4 179.4(3) . . . . ?
N3 C22 C27 N4 -1.2(4) . . . . ?
C23 C22 C27 C26 -1.4(4) . . . . ?
N3 C22 C27 C26 178.1(2) . . . . ?
C27 N4 C28 C29 0.0(5) . . . . ?
N4 C28 C29 C30 0.2(6) . . . . ?
C28 C29 C30 C26 0.2(5) . . . . ?
C27 C26 C30 C29 -0.6(5) . . . . ?
C25 C26 C30 C29 180.0(3) . . . . ?
C22 N3 C31 O2 -0.9(5) . . . . ?
C22 N3 C31 C32 -179.8(3) . . . . ?
O2 C31 C32 C33 52.2(4) . . . . ?
N3 C31 C32 C33 -128.9(3) . . . . ?
C31 C32 C33 C34 67.4(4) . . . . ?
C31 C32 C33 Si2 -164.5(2) . . . . ?
C41 Si2 C33 C34 176.2(2) . . . . ?
C40 Si2 C33 C34 -65.2(3) . . . . ?
C42 Si2 C33 C34 56.6(3) . . . . ?
C41 Si2 C33 C32 46.7(3) . . . . ?
C40 Si2 C33 C32 165.3(2) . . . . ?
C42 Si2 C33 C32 -72.9(3) . . . . ?
C32 C33 C34 C35 -138.3(3) . . . . ?
Si2 C33 C34 C35 93.2(3) . . . . ?
C32 C33 C34 C39 43.9(4) . . . . ?
Si2 C33 C34 C39 -84.6(3) . . . . ?
C39 C34 C35 C36 0.2(5) . . . . ?
C33 C34 C35 C36 -177.7(3) . . . . ?
C34 C35 C36 C37 -0.2(5) . . . . ?
C35 C36 C37 C38 -0.2(5) . . . . ?
C36 C37 C38 C39 0.5(5) . . . . ?
C37 C38 C39 C34 -0.4(5) . . . . ?
C35 C34 C39 C38 0.1(5) . . . . ?
C33 C34 C39 C38 178.0(3) . . . . ?

_refine_diff_density_max         0.535
_refine_diff_density_min         -0.283
_refine_diff_density_rms         0.044

####################################################################### 
# 
# 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_t_0ma
_database_code_depnum_ccdc_archive 'CCDC 1508603'
_audit_update_record             
;
2016-10-06 deposited with the CCDC.
2016-10-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C20 H30 N2 O Si2'
_chemical_formula_sum            'C20 H30 N2 O Si2'
_chemical_formula_weight         370.64

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'
O O 0.0492 0.0322 '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'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   17.5738(8)
_cell_length_b                   10.3894(4)
_cell_length_c                   12.0069(5)
_cell_angle_alpha                90
_cell_angle_beta                 100.934(2)
_cell_angle_gamma                90
_cell_volume                     2152.44(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9995
_cell_measurement_theta_min      2.56
_cell_measurement_theta_max      68.22

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.144
_exptl_crystal_F_000             800
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    1.562
_shelx_estimated_absorpt_T_min   0.696
_shelx_estimated_absorpt_T_max   0.745
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            17400
_diffrn_reflns_av_unetI/netI     0.0310
_diffrn_reflns_av_R_equivalents  0.0406
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.561
_diffrn_reflns_theta_max         68.282
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measured_fraction_theta_full 0.972
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_Laue_measured_fraction_full 0.972
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_point_group_measured_fraction_full 0.972
_reflns_number_total             3834
_reflns_number_gt                3350
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0906P)²+0.6209P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3834
_refine_ls_number_parameters     232
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0495
_refine_ls_R_factor_gt           0.0427
_refine_ls_wR_factor_ref         0.1337
_refine_ls_wR_factor_gt          0.1225
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_restrained_S_all      1.006
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.17339(3) 0.72499(5) 0.76516(4) 0.03626(17) Uani 1 1 d . . . . .
C1 C 0.45871(11) 0.60184(17) 0.61032(16) 0.0370(4) Uani 1 1 d . . . . .
O1 O 0.27351(8) 0.42727(14) 0.74624(12) 0.0464(4) Uani 1 1 d . . . . .
N1 N 0.42518(10) 0.66187(15) 0.51159(14) 0.0409(4) Uani 1 1 d . . . . .
N2 N 0.33002(8) 0.54147(15) 0.62221(13) 0.0368(4) Uani 1 1 d . . . . .
H2 H 0.3191 0.5841 0.5578 0.044 Uiso 1 1 calc R U . . .
Si2 Si 0.14927(3) 0.23866(5) 0.60873(4) 0.03427(17) Uani 1 1 d . . . . .
C2 C 0.53971(11) 0.60109(19) 0.65160(19) 0.0433(5) Uani 1 1 d . . . . .
C6 C 0.40853(10) 0.53588(17) 0.67161(16) 0.0354(4) Uani 1 1 d . . . . .
C5 C 0.47201(14) 0.7216(2) 0.4546(2) 0.0493(5) Uani 1 1 d . . . . .
H5 H 0.4495 0.7638 0.3861 0.059 Uiso 1 1 calc R U . . .
C4 C 0.55261(14) 0.7268(2) 0.4886(2) 0.0543(6) Uani 1 1 d . . . . .
H4 H 0.5834 0.7712 0.4440 0.065 Uiso 1 1 calc R U . . .
C3 C 0.58635(12) 0.6673(2) 0.5865(2) 0.0521(5) Uani 1 1 d . . . . .
H3 H 0.6410 0.6703 0.6110 0.062 Uiso 1 1 calc R U . . .
C7 C 0.43910(11) 0.47257(18) 0.77062(17) 0.0410(4) Uani 1 1 d . . . . .
H7 H 0.4059 0.4292 0.8122 0.049 Uiso 1 1 calc R U . . .
C9 C 0.56925(11) 0.5345(2) 0.7533(2) 0.0479(5) Uani 1 1 d . . . . .
H9 H 0.6235 0.5330 0.7819 0.057 Uiso 1 1 calc R U . . .
C8 C 0.52006(12) 0.4724(2) 0.81001(19) 0.0476(5) Uani 1 1 d . . . . .
H8 H 0.5408 0.4278 0.8781 0.057 Uiso 1 1 calc R U . . .
C10 C 0.26782(10) 0.49048(17) 0.65913(15) 0.0337(4) Uani 1 1 d . . . . .
C11 C 0.19099(10) 0.52111(17) 0.58450(15) 0.0345(4) Uani 1 1 d . . . . .
H11 H 0.1968 0.5512 0.5074 0.041 Uiso 1 1 calc R U . . .
C12 C 0.13880(10) 0.61420(17) 0.64134(16) 0.0359(4) Uani 1 1 d . . . . .
H12 H 0.1079 0.6674 0.5795 0.043 Uiso 1 1 calc R U . . .
C13 C 0.08774(12) 0.49623(19) 0.6605(2) 0.0470(5) Uani 1 1 d . . . . .
H13A H 0.0978 0.4643 0.7397 0.056 Uiso 1 1 calc R U . . .
H13B H 0.0316 0.5099 0.6327 0.056 Uiso 1 1 calc R U . . .
C14 C 0.12731(10) 0.41452(18) 0.57896(16) 0.0367(4) Uani 1 1 d . . . . .
H14 H 0.0936 0.4199 0.5020 0.044 Uiso 1 1 calc R U . . .
C15 C 0.15246(14) 0.1956(2) 0.76046(17) 0.0503(5) Uani 1 1 d . . . . .
H15A H 0.1005 0.2039 0.7781 0.075 Uiso 1 1 calc R U . . .
H15B H 0.1881 0.2537 0.8092 0.075 Uiso 1 1 calc R U . . .
H15C H 0.1705 0.1067 0.7737 0.075 Uiso 1 1 calc R U . . .
C16 C 0.06736(13) 0.1467(2) 0.52189(18) 0.0489(5) Uani 1 1 d . . . . .
H16A H 0.0675 0.1599 0.4411 0.073 Uiso 1 1 calc R U . . .
H16B H 0.0181 0.1771 0.5393 0.073 Uiso 1 1 calc R U . . .
H16C H 0.0736 0.0548 0.5398 0.073 Uiso 1 1 calc R U . . .
C17 C 0.24229(12) 0.1912(2) 0.56625(18) 0.0456(5) Uani 1 1 d . . . . .
H17A H 0.2445 0.0973 0.5599 0.068 Uiso 1 1 calc R U . . .
H17B H 0.2860 0.2211 0.6237 0.068 Uiso 1 1 calc R U . . .
H17C H 0.2452 0.2303 0.4929 0.068 Uiso 1 1 calc R U . . .
C18 C 0.08721(13) 0.8247(2) 0.7798(2) 0.0547(6) Uani 1 1 d . . . . .
H18A H 0.0711 0.8763 0.7110 0.082 Uiso 1 1 calc R U . . .
H18B H 0.1008 0.8820 0.8454 0.082 Uiso 1 1 calc R U . . .
H18C H 0.0446 0.7682 0.7907 0.082 Uiso 1 1 calc R U . . .
C19 C 0.2059(2) 0.6378(2) 0.9012(2) 0.0718(8) Uani 1 1 d . . . . .
H19A H 0.1640 0.5822 0.9163 0.108 Uiso 1 1 calc R U . . .
H19B H 0.2195 0.7001 0.9630 0.108 Uiso 1 1 calc R U . . .
H19C H 0.2514 0.5851 0.8959 0.108 Uiso 1 1 calc R U . . .
C20 C 0.25311(13) 0.8314(2) 0.7378(2) 0.0535(5) Uani 1 1 d . . . . .
H20A H 0.2979 0.7787 0.7292 0.080 Uiso 1 1 calc R U . . .
H20B H 0.2680 0.8907 0.8017 0.080 Uiso 1 1 calc R U . . .
H20C H 0.2354 0.8807 0.6681 0.080 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Si1 C19 1.860(2) . ?
Si1 C20 1.862(2) . ?
Si1 C18 1.871(2) . ?
Si1 C12 1.8873(19) . ?
C1 N1 1.370(3) . ?
C1 C2 1.416(3) . ?
C1 C6 1.427(3) . ?
O1 C10 1.223(2) . ?
N1 C5 1.321(3) . ?
N2 C10 1.362(2) . ?
N2 C6 1.396(2) . ?
N2 H2 0.8800 . ?
Si2 C15 1.866(2) . ?
Si2 C17 1.869(2) . ?
Si2 C16 1.872(2) . ?
Si2 C14 1.8875(19) . ?
C2 C9 1.414(3) . ?
C2 C3 1.414(3) . ?
C6 C7 1.376(3) . ?
C5 C4 1.399(3) . ?
C5 H5 0.9500 . ?
C4 C3 1.360(4) . ?
C4 H4 0.9500 . ?
C3 H3 0.9500 . ?
C7 C8 1.412(3) . ?
C7 H7 0.9500 . ?
C9 C8 1.360(3) . ?
C9 H9 0.9500 . ?
C8 H8 0.9500 . ?
C10 C11 1.506(2) . ?
C11 C14 1.567(2) . ?
C11 C12 1.575(3) . ?
C11 H11 1.0000 . ?
C12 C13 1.562(3) . ?
C12 H12 1.0000 . ?
C13 C14 1.556(3) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14 1.0000 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 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
C19 Si1 C20 109.12(13) . . ?
C19 Si1 C18 107.86(13) . . ?
C20 Si1 C18 109.72(11) . . ?
C19 Si1 C12 113.20(10) . . ?
C20 Si1 C12 111.33(9) . . ?
C18 Si1 C12 105.46(9) . . ?
N1 C1 C2 122.98(18) . . ?
N1 C1 C6 117.30(16) . . ?
C2 C1 C6 119.71(18) . . ?
C5 N1 C1 117.03(18) . . ?
C10 N2 C6 129.42(16) . . ?
C10 N2 H2 115.3 . . ?
C6 N2 H2 115.3 . . ?
C15 Si2 C17 109.71(10) . . ?
C15 Si2 C16 107.40(10) . . ?
C17 Si2 C16 109.47(10) . . ?
C15 Si2 C14 112.58(10) . . ?
C17 Si2 C14 111.21(9) . . ?
C16 Si2 C14 106.31(9) . . ?
C9 C2 C3 123.99(19) . . ?
C9 C2 C1 119.02(19) . . ?
C3 C2 C1 117.0(2) . . ?
C7 C6 N2 125.43(17) . . ?
C7 C6 C1 119.81(17) . . ?
N2 C6 C1 114.75(16) . . ?
N1 C5 C4 124.2(2) . . ?
N1 C5 H5 117.9 . . ?
C4 C5 H5 117.9 . . ?
C3 C4 C5 119.1(2) . . ?
C3 C4 H4 120.4 . . ?
C5 C4 H4 120.4 . . ?
C4 C3 C2 119.7(2) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C6 C7 C8 119.58(19) . . ?
C6 C7 H7 120.2 . . ?
C8 C7 H7 120.2 . . ?
C8 C9 C2 120.02(18) . . ?
C8 C9 H9 120.0 . . ?
C2 C9 H9 120.0 . . ?
C9 C8 C7 121.8(2) . . ?
C9 C8 H8 119.1 . . ?
C7 C8 H8 119.1 . . ?
O1 C10 N2 123.14(17) . . ?
O1 C10 C11 122.75(16) . . ?
N2 C10 C11 114.10(15) . . ?
C10 C11 C14 115.37(15) . . ?
C10 C11 C12 113.70(14) . . ?
C14 C11 C12 89.00(14) . . ?
C10 C11 H11 112.3 . . ?
C14 C11 H11 112.3 . . ?
C12 C11 H11 112.3 . . ?
C13 C12 C11 88.86(14) . . ?
C13 C12 Si1 118.08(14) . . ?
C11 C12 Si1 126.08(12) . . ?
C13 C12 H12 107.3 . . ?
C11 C12 H12 107.3 . . ?
Si1 C12 H12 107.3 . . ?
C14 C13 C12 89.85(15) . . ?
C14 C13 H13A 113.7 . . ?
C12 C13 H13A 113.7 . . ?
C14 C13 H13B 113.7 . . ?
C12 C13 H13B 113.7 . . ?
H13A C13 H13B 110.9 . . ?
C13 C14 C11 89.34(14) . . ?
C13 C14 Si2 120.57(14) . . ?
C11 C14 Si2 123.88(13) . . ?
C13 C14 H14 107.1 . . ?
C11 C14 H14 107.1 . . ?
Si2 C14 H14 107.1 . . ?
Si2 C15 H15A 109.5 . . ?
Si2 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si2 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si2 C16 H16A 109.5 . . ?
Si2 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si2 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si2 C17 H17A 109.5 . . ?
Si2 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si2 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si1 C18 H18A 109.5 . . ?
Si1 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si1 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si1 C19 H19A 109.5 . . ?
Si1 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si1 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si1 C20 H20A 109.5 . . ?
Si1 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si1 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 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
C2 C1 N1 C5 -0.4(3) . . . . ?
C6 C1 N1 C5 -179.30(17) . . . . ?
N1 C1 C2 C9 -178.78(17) . . . . ?
C6 C1 C2 C9 0.0(3) . . . . ?
N1 C1 C2 C3 0.7(3) . . . . ?
C6 C1 C2 C3 179.49(18) . . . . ?
C10 N2 C6 C7 1.4(3) . . . . ?
C10 N2 C6 C1 -179.28(17) . . . . ?
N1 C1 C6 C7 179.22(17) . . . . ?
C2 C1 C6 C7 0.3(3) . . . . ?
N1 C1 C6 N2 -0.2(2) . . . . ?
C2 C1 C6 N2 -179.09(16) . . . . ?
C1 N1 C5 C4 0.1(3) . . . . ?
N1 C5 C4 C3 -0.1(3) . . . . ?
C5 C4 C3 C2 0.3(3) . . . . ?
C9 C2 C3 C4 178.8(2) . . . . ?
C1 C2 C3 C4 -0.6(3) . . . . ?
N2 C6 C7 C8 178.70(18) . . . . ?
C1 C6 C7 C8 -0.6(3) . . . . ?
C3 C2 C9 C8 -179.5(2) . . . . ?
C1 C2 C9 C8 -0.1(3) . . . . ?
C2 C9 C8 C7 -0.2(3) . . . . ?
C6 C7 C8 C9 0.6(3) . . . . ?
C6 N2 C10 O1 -1.0(3) . . . . ?
C6 N2 C10 C11 177.81(17) . . . . ?
O1 C10 C11 C14 -33.6(3) . . . . ?
N2 C10 C11 C14 147.65(16) . . . . ?
O1 C10 C11 C12 67.2(2) . . . . ?
N2 C10 C11 C12 -111.57(18) . . . . ?
C10 C11 C12 C13 -104.54(17) . . . . ?
C14 C11 C12 C13 12.87(14) . . . . ?
C10 C11 C12 Si1 20.1(2) . . . . ?
C14 C11 C12 Si1 137.48(14) . . . . ?
C19 Si1 C12 C13 41.48(19) . . . . ?
C20 Si1 C12 C13 164.85(15) . . . . ?
C18 Si1 C12 C13 -76.21(17) . . . . ?
C19 Si1 C12 C11 -69.7(2) . . . . ?
C20 Si1 C12 C11 53.70(18) . . . . ?
C18 Si1 C12 C11 172.63(16) . . . . ?
C11 C12 C13 C14 -12.96(14) . . . . ?
Si1 C12 C13 C14 -144.03(13) . . . . ?
C12 C13 C14 C11 13.02(14) . . . . ?
C12 C13 C14 Si2 142.86(13) . . . . ?
C10 C11 C14 C13 102.98(17) . . . . ?
C12 C11 C14 C13 -12.91(14) . . . . ?
C10 C11 C14 Si2 -24.2(2) . . . . ?
C12 C11 C14 Si2 -140.13(14) . . . . ?
C15 Si2 C14 C13 -20.51(18) . . . . ?
C17 Si2 C14 C13 -144.10(14) . . . . ?
C16 Si2 C14 C13 96.81(16) . . . . ?
C15 Si2 C14 C11 91.86(17) . . . . ?
C17 Si2 C14 C11 -31.74(18) . . . . ?
C16 Si2 C14 C11 -150.82(15) . . . . ?

_refine_diff_density_max         0.394
_refine_diff_density_min         -0.204
_refine_diff_density_rms         0.053

####################################################################### 
# 
# 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_t_0m
_database_code_depnum_ccdc_archive 'CCDC 1508604'
_audit_update_record             
;
2016-10-06 deposited with the CCDC.
2016-10-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C26 H29 N3 O3 Si'
_chemical_formula_sum            'C26 H29 N3 O3 Si'
_chemical_formula_weight         459.61

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'
O O 0.0492 0.0322 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           5
_space_group_name_H-M_alt        'C 2'
_space_group_name_Hall           'C 2y'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   40.8407(9)
_cell_length_b                   11.7200(3)
_cell_length_c                   10.6590(2)
_cell_angle_alpha                90
_cell_angle_beta                 102.7310(10)
_cell_angle_gamma                90
_cell_volume                     4976.53(19)
_cell_formula_units_Z            8
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9994
_cell_measurement_theta_min      3.93
_cell_measurement_theta_max      68.28

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.227
_exptl_crystal_F_000             1952
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    1.086
_shelx_estimated_absorpt_T_min   0.812
_shelx_estimated_absorpt_T_max   0.812
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            25688
_diffrn_reflns_av_unetI/netI     0.0414
_diffrn_reflns_av_R_equivalents  0.0389
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_h_max       49
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         3.931
_diffrn_reflns_theta_max         68.366
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measured_fraction_theta_full 0.964
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_Laue_measured_fraction_full 0.964
_diffrn_reflns_point_group_measured_fraction_max 0.948
_diffrn_reflns_point_group_measured_fraction_full 0.951
_reflns_number_total             8653
_reflns_number_gt                7696
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.870
_reflns_Friedel_fraction_max     0.932
_reflns_Friedel_fraction_full    0.936

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0397P)²+6.8189P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 3233 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.044(13)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         8653
_refine_ls_number_parameters     603
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0521
_refine_ls_R_factor_gt           0.0448
_refine_ls_wR_factor_ref         0.1130
_refine_ls_wR_factor_gt          0.1094
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_restrained_S_all      1.050
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.45706(3) 0.67956(13) 0.67856(14) 0.0393(3) Uani 1 1 d . . . . .
C1 C 0.36549(9) 0.6945(4) 1.1796(4) 0.0235(9) Uani 1 1 d . . . . .
O1 O 0.35524(9) 0.9552(3) 1.0136(3) 0.0405(8) Uani 1 1 d . . . . .
N1 N 0.37105(8) 0.7695(3) 0.9850(3) 0.0251(8) Uani 1 1 d . . . . .
Si2 Si 0.44816(3) 0.25316(14) 0.18240(15) 0.0467(3) Uani 1 1 d . . . . .
C2 C 0.35745(10) 0.8098(3) 1.1799(4) 0.0251(9) Uani 1 1 d . . . . .
O2 O 0.37952(9) 0.5745(3) 1.0130(3) 0.0397(8) Uani 1 1 d . . . . .
N2 N 0.32146(8) 0.8125(3) 0.7423(4) 0.0286(8) Uani 1 1 d . . . . .
H2 H 0.3252 0.8762 0.7870 0.034 Uiso 1 1 calc R U . . .
O3 O 0.34774(7) 0.6503(3) 0.6990(3) 0.0326(7) Uani 1 1 d . . . . .
C3 C 0.34806(11) 0.8600(4) 1.2826(5) 0.0307(10) Uani 1 1 d . . . . .
H3 H 0.3418 0.9382 1.2809 0.037 Uiso 1 1 calc R U . . .
N3 N 0.27883(9) 0.9722(3) 0.7733(4) 0.0297(8) Uani 1 1 d . . . . .
O4 O 0.38871(9) 0.4363(2) 0.5286(3) 0.0368(8) Uani 1 1 d . . . . .
C4 C 0.34811(11) 0.7918(4) 1.3893(5) 0.0328(11) Uani 1 1 d . . . . .
H4 H 0.3421 0.8243 1.4627 0.039 Uiso 1 1 calc R U . . .
N4 N 0.37367(8) 0.2487(3) 0.4837(3) 0.0251(7) Uani 1 1 d . . . . .
O5 O 0.35286(9) 0.0657(3) 0.4981(3) 0.0373(8) Uani 1 1 d . . . . .
C5 C 0.35671(10) 0.6774(4) 1.3911(4) 0.0303(10) Uani 1 1 d . . . . .
H5 H 0.3568 0.6331 1.4658 0.036 Uiso 1 1 calc R U . . .
N5 N 0.32438(8) 0.1966(3) 0.2465(4) 0.0283(8) Uani 1 1 d . . . . .
H5A H 0.3286 0.1367 0.2975 0.034 Uiso 1 1 calc R U . . .
N6 N 0.28197(9) 0.0333(3) 0.2784(4) 0.0298(9) Uani 1 1 d . . . . .
O6 O 0.34923(8) 0.3537(3) 0.1816(3) 0.0354(8) Uani 1 1 d . . . . .
C6 C 0.36530(11) 0.6263(4) 1.2843(4) 0.0280(10) Uani 1 1 d . . . . .
H6 H 0.3708 0.5475 1.2841 0.034 Uiso 1 1 calc R U . . .
C9 C 0.37833(10) 0.7840(4) 0.8572(4) 0.0273(9) Uani 1 1 d . . . . .
H9 H 0.3797 0.8680 0.8427 0.033 Uiso 1 1 calc R U . . .
C8 C 0.36078(11) 0.8595(4) 1.0548(4) 0.0279(10) Uani 1 1 d . . . . .
C7 C 0.37338(10) 0.6661(4) 1.0540(4) 0.0251(9) Uani 1 1 d . . . . .
C10 C 0.41224(10) 0.7334(4) 0.8469(4) 0.0307(9) Uani 1 1 d . . . . .
H10 H 0.4108 0.6489 0.8574 0.037 Uiso 1 1 calc R U . . .
C11 C 0.44027(11) 0.7773(4) 0.9564(5) 0.0415(11) Uani 1 1 d . . . . .
H11A H 0.4352 0.7533 1.0391 0.050 Uiso 1 1 calc R U . . .
H11B H 0.4615 0.7401 0.9495 0.050 Uiso 1 1 calc R U . . .
C17 C 0.34806(10) 0.7399(4) 0.7570(4) 0.0254(9) Uani 1 1 d . . . . .
C16 C 0.49591(12) 0.7691(6) 0.7296(6) 0.0609(16) Uani 1 1 d . . . . .
H16A H 0.5154 0.7269 0.7143 0.091 Uiso 1 1 calc R U . . .
H16B H 0.4993 0.7870 0.8214 0.091 Uiso 1 1 calc R U . . .
H16C H 0.4933 0.8401 0.6799 0.091 Uiso 1 1 calc R U . . .
C15 C 0.44952(13) 0.6537(5) 0.5025(5) 0.0526(14) Uani 1 1 d . . . . .
H15A H 0.4441 0.7260 0.4565 0.079 Uiso 1 1 calc R U . . .
H15B H 0.4308 0.6005 0.4766 0.079 Uiso 1 1 calc R U . . .
H15C H 0.4698 0.6210 0.4816 0.079 Uiso 1 1 calc R U . . .
C14 C 0.46276(16) 0.5386(5) 0.7626(7) 0.0657(17) Uani 1 1 d . . . . .
H14A H 0.4417 0.4956 0.7414 0.099 Uiso 1 1 calc R U . . .
H14B H 0.4691 0.5509 0.8558 0.099 Uiso 1 1 calc R U . . .
H14C H 0.4804 0.4954 0.7348 0.099 Uiso 1 1 calc R U . . .
C13 C 0.41931(10) 0.7555(4) 0.7136(4) 0.0340(10) Uani 1 1 d . . . . .
H13A H 0.4224 0.8385 0.7041 0.041 Uiso 1 1 calc R U . . .
H13B H 0.3993 0.7325 0.6478 0.041 Uiso 1 1 calc R U . . .
C12 C 0.44561(14) 0.9058(5) 0.9600(6) 0.0581(16) Uani 1 1 d . . . . .
H12A H 0.4505 0.9311 0.8785 0.087 Uiso 1 1 calc R U . . .
H12B H 0.4645 0.9252 1.0310 0.087 Uiso 1 1 calc R U . . .
H12C H 0.4252 0.9439 0.9730 0.087 Uiso 1 1 calc R U . . .
C18 C 0.28899(10) 0.8005(3) 0.6666(4) 0.0254(9) Uani 1 1 d . . . . .
C19 C 0.26638(11) 0.8893(4) 0.6862(4) 0.0264(9) Uani 1 1 d . . . . .
C20 C 0.23275(11) 0.8869(4) 0.6166(5) 0.0293(10) Uani 1 1 d . . . . .
C21 C 0.22207(11) 0.7964(4) 0.5288(5) 0.0347(11) Uani 1 1 d . . . . .
H21 H 0.1995 0.7936 0.4811 0.042 Uiso 1 1 calc R U . . .
C22 C 0.24425(11) 0.7133(4) 0.5126(5) 0.0335(11) Uani 1 1 d . . . . .
H22 H 0.2367 0.6530 0.4539 0.040 Uiso 1 1 calc R U . . .
C23 C 0.27794(11) 0.7145(4) 0.5805(5) 0.0295(10) Uani 1 1 d . . . . .
H23 H 0.2929 0.6562 0.5667 0.035 Uiso 1 1 calc R U . . .
C24 C 0.25785(12) 1.0511(4) 0.7938(5) 0.0357(11) Uani 1 1 d . . . . .
H24 H 0.2662 1.1091 0.8546 0.043 Uiso 1 1 calc R U . . .
C25 C 0.22399(12) 1.0553(4) 0.7320(5) 0.0382(12) Uani 1 1 d . . . . .
H25 H 0.2099 1.1140 0.7519 0.046 Uiso 1 1 calc R U . . .
C26 C 0.21134(11) 0.9742(4) 0.6430(5) 0.0345(11) Uani 1 1 d . . . . .
H26 H 0.1884 0.9763 0.5992 0.041 Uiso 1 1 calc R U . . .
C27 C 0.36852(10) 0.3161(3) 0.6824(4) 0.0243(9) Uani 1 1 d . . . . .
C28 C 0.36767(11) 0.3820(4) 0.7891(4) 0.0295(10) Uani 1 1 d . . . . .
H28 H 0.3744 0.4598 0.7944 0.035 Uiso 1 1 calc R U . . .
C29 C 0.35647(11) 0.3281(4) 0.8886(5) 0.0327(10) Uani 1 1 d . . . . .
H29 H 0.3560 0.3699 0.9645 0.039 Uiso 1 1 calc R U . . .
C30 C 0.34605(11) 0.2156(4) 0.8798(5) 0.0322(11) Uani 1 1 d . . . . .
H30 H 0.3383 0.1822 0.9492 0.039 Uiso 1 1 calc R U . . .
C31 C 0.34662(11) 0.1503(4) 0.7713(5) 0.0308(10) Uani 1 1 d . . . . .
H31 H 0.3394 0.0730 0.7650 0.037 Uiso 1 1 calc R U . . .
C32 C 0.35820(10) 0.2030(3) 0.6724(4) 0.0245(9) Uani 1 1 d . . . . .
C33 C 0.37856(10) 0.3470(3) 0.5613(4) 0.0249(9) Uani 1 1 d . . . . .
C34 C 0.36065(10) 0.1589(3) 0.5452(4) 0.0266(9) Uani 1 1 d . . . . .
C35 C 0.38193(10) 0.2470(4) 0.3568(4) 0.0269(9) Uani 1 1 d . . . . .
H35 H 0.3972 0.3134 0.3555 0.032 Uiso 1 1 calc R U . . .
C36 C 0.40174(11) 0.1406(4) 0.3313(4) 0.0318(10) Uani 1 1 d . . . . .
H36 H 0.3861 0.0740 0.3211 0.038 Uiso 1 1 calc R U . . .
C37 C 0.43096(12) 0.1153(4) 0.4456(5) 0.0452(13) Uani 1 1 d . . . . .
H37A H 0.4481 0.1759 0.4514 0.054 Uiso 1 1 calc R U . . .
H37B H 0.4226 0.1168 0.5260 0.054 Uiso 1 1 calc R U . . .
C38 C 0.44723(16) -0.0006(5) 0.4336(7) 0.073(2) Uani 1 1 d . . . . .
H38A H 0.4302 -0.0607 0.4253 0.109 Uiso 1 1 calc R U . . .
H38B H 0.4650 -0.0146 0.5104 0.109 Uiso 1 1 calc R U . . .
H38C H 0.4569 -0.0008 0.3573 0.109 Uiso 1 1 calc R U . . .
C39 C 0.41338(12) 0.1547(4) 0.2037(5) 0.0397(11) Uani 1 1 d . . . . .
H39A H 0.3933 0.1773 0.1382 0.048 Uiso 1 1 calc R U . . .
H39B H 0.4197 0.0776 0.1794 0.048 Uiso 1 1 calc R U . . .
C40 C 0.44187(18) 0.4026(6) 0.2315(9) 0.087(2) Uani 1 1 d . . . . .
H40A H 0.4577 0.4530 0.2015 0.130 Uiso 1 1 calc R U . . .
H40B H 0.4457 0.4068 0.3254 0.130 Uiso 1 1 calc R U . . .
H40C H 0.4188 0.4266 0.1934 0.130 Uiso 1 1 calc R U . . .
C41 C 0.49066(13) 0.2010(7) 0.2659(7) 0.076(2) Uani 1 1 d . . . . .
H41A H 0.4931 0.1208 0.2438 0.114 Uiso 1 1 calc R U . . .
H41B H 0.4932 0.2082 0.3591 0.114 Uiso 1 1 calc R U . . .
H41C H 0.5079 0.2467 0.2385 0.114 Uiso 1 1 calc R U . . .
C42 C 0.44759(17) 0.2499(8) 0.0055(6) 0.082(2) Uani 1 1 d . . . . .
H42A H 0.4526 0.1725 -0.0194 0.122 Uiso 1 1 calc R U . . .
H42B H 0.4645 0.3029 -0.0128 0.122 Uiso 1 1 calc R U . . .
H42C H 0.4253 0.2727 -0.0434 0.122 Uiso 1 1 calc R U . . .
C43 C 0.35030(10) 0.2711(4) 0.2521(4) 0.0258(9) Uani 1 1 d . . . . .
C44 C 0.29190(10) 0.2039(4) 0.1694(4) 0.0263(9) Uani 1 1 d . . . . .
C45 C 0.26939(10) 0.1148(4) 0.1898(4) 0.0260(9) Uani 1 1 d . . . . .
C46 C 0.23566(10) 0.1170(4) 0.1222(4) 0.0283(10) Uani 1 1 d . . . . .
C47 C 0.22457(11) 0.2056(4) 0.0330(5) 0.0332(11) Uani 1 1 d . . . . .
H47 H 0.2019 0.2071 -0.0141 0.040 Uiso 1 1 calc R U . . .
C48 C 0.24635(12) 0.2887(4) 0.0144(5) 0.0342(11) Uani 1 1 d . . . . .
H48 H 0.2385 0.3483 -0.0450 0.041 Uiso 1 1 calc R U . . .
C49 C 0.28017(11) 0.2882(4) 0.0814(5) 0.0307(10) Uani 1 1 d . . . . .
H49 H 0.2949 0.3464 0.0657 0.037 Uiso 1 1 calc R U . . .
C50 C 0.26128(12) -0.0464(4) 0.3019(5) 0.0353(11) Uani 1 1 d . . . . .
H50 H 0.2698 -0.1029 0.3644 0.042 Uiso 1 1 calc R U . . .
C51 C 0.22712(12) -0.0518(4) 0.2387(5) 0.0373(11) Uani 1 1 d . . . . .
H51 H 0.2132 -0.1110 0.2581 0.045 Uiso 1 1 calc R U . . .
C52 C 0.21446(11) 0.0288(4) 0.1496(5) 0.0344(11) Uani 1 1 d . . . . .
H52 H 0.1915 0.0261 0.1059 0.041 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Si1 C15 1.858(5) . ?
Si1 C14 1.869(6) . ?
Si1 C16 1.880(5) . ?
Si1 C13 1.887(4) . ?
C1 C6 1.374(6) . ?
C1 C2 1.391(6) . ?
C1 C7 1.483(6) . ?
O1 C8 1.207(5) . ?
N1 C8 1.408(5) . ?
N1 C7 1.410(5) . ?
N1 C9 1.467(5) . ?
Si2 C40 1.861(7) . ?
Si2 C41 1.870(6) . ?
Si2 C42 1.880(7) . ?
Si2 C39 1.882(5) . ?
C2 C3 1.370(6) . ?
C2 C8 1.489(6) . ?
O2 C7 1.206(5) . ?
N2 C17 1.362(5) . ?
N2 C18 1.399(5) . ?
N2 H2 0.8800 . ?
O3 C17 1.217(5) . ?
C3 C4 1.391(7) . ?
C3 H3 0.9500 . ?
N3 C24 1.311(6) . ?
N3 C19 1.363(6) . ?
O4 C33 1.206(5) . ?
C4 C5 1.385(7) . ?
C4 H4 0.9500 . ?
N4 C34 1.405(5) . ?
N4 C33 1.406(5) . ?
N4 C35 1.465(5) . ?
O5 C34 1.215(5) . ?
C5 C6 1.398(6) . ?
C5 H5 0.9500 . ?
N5 C43 1.364(5) . ?
N5 C44 1.400(5) . ?
N5 H5A 0.8800 . ?
N6 C50 1.320(6) . ?
N6 C45 1.362(6) . ?
O6 C43 1.220(5) . ?
C6 H6 0.9500 . ?
C9 C10 1.533(6) . ?
C9 C17 1.535(6) . ?
C9 H9 1.0000 . ?
C10 C11 1.533(6) . ?
C10 C13 1.533(6) . ?
C10 H10 1.0000 . ?
C11 C12 1.521(8) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C18 C23 1.371(6) . ?
C18 C19 1.436(6) . ?
C19 C20 1.410(6) . ?
C20 C26 1.414(6) . ?
C20 C21 1.418(7) . ?
C21 C22 1.367(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.406(6) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C24 C25 1.395(7) . ?
C24 H24 0.9500 . ?
C25 C26 1.362(7) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C28 1.381(6) . ?
C27 C32 1.389(6) . ?
C27 C33 1.482(6) . ?
C28 C29 1.395(7) . ?
C28 H28 0.9500 . ?
C29 C30 1.383(6) . ?
C29 H29 0.9500 . ?
C30 C31 1.391(6) . ?
C30 H30 0.9500 . ?
C31 C32 1.391(6) . ?
C31 H31 0.9500 . ?
C32 C34 1.474(6) . ?
C35 C43 1.536(6) . ?
C35 C36 1.542(6) . ?
C35 H35 1.0000 . ?
C36 C37 1.535(7) . ?
C36 C39 1.545(6) . ?
C36 H36 1.0000 . ?
C37 C38 1.530(7) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C44 C49 1.374(6) . ?
C44 C45 1.439(6) . ?
C45 C46 1.407(6) . ?
C46 C47 1.414(7) . ?
C46 C52 1.420(6) . ?
C47 C48 1.363(6) . ?
C47 H47 0.9500 . ?
C48 C49 1.408(6) . ?
C48 H48 0.9500 . ?
C49 H49 0.9500 . ?
C50 C51 1.411(7) . ?
C50 H50 0.9500 . ?
C51 C52 1.358(7) . ?
C51 H51 0.9500 . ?
C52 H52 0.9500 . ?

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
C15 Si1 C14 108.4(3) . . ?
C15 Si1 C16 109.0(3) . . ?
C14 Si1 C16 110.3(3) . . ?
C15 Si1 C13 108.4(2) . . ?
C14 Si1 C13 110.0(2) . . ?
C16 Si1 C13 110.7(3) . . ?
C6 C1 C2 121.3(4) . . ?
C6 C1 C7 130.1(4) . . ?
C2 C1 C7 108.6(4) . . ?
C8 N1 C7 111.2(3) . . ?
C8 N1 C9 123.3(4) . . ?
C7 N1 C9 125.5(3) . . ?
C40 Si2 C41 110.2(4) . . ?
C40 Si2 C42 109.2(4) . . ?
C41 Si2 C42 106.0(3) . . ?
C40 Si2 C39 112.8(3) . . ?
C41 Si2 C39 112.8(3) . . ?
C42 Si2 C39 105.4(3) . . ?
C3 C2 C1 121.8(4) . . ?
C3 C2 C8 130.1(4) . . ?
C1 C2 C8 108.1(4) . . ?
C17 N2 C18 129.3(4) . . ?
C17 N2 H2 115.3 . . ?
C18 N2 H2 115.3 . . ?
C2 C3 C4 117.1(4) . . ?
C2 C3 H3 121.4 . . ?
C4 C3 H3 121.4 . . ?
C24 N3 C19 117.2(4) . . ?
C5 C4 C3 121.5(4) . . ?
C5 C4 H4 119.3 . . ?
C3 C4 H4 119.3 . . ?
C34 N4 C33 111.0(3) . . ?
C34 N4 C35 127.5(4) . . ?
C33 N4 C35 121.5(4) . . ?
C4 C5 C6 120.8(4) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C43 N5 C44 127.7(4) . . ?
C43 N5 H5A 116.1 . . ?
C44 N5 H5A 116.1 . . ?
C50 N6 C45 117.9(4) . . ?
C1 C6 C5 117.3(4) . . ?
C1 C6 H6 121.3 . . ?
C5 C6 H6 121.3 . . ?
N1 C9 C10 113.1(3) . . ?
N1 C9 C17 108.1(3) . . ?
C10 C9 C17 114.9(4) . . ?
N1 C9 H9 106.7 . . ?
C10 C9 H9 106.7 . . ?
C17 C9 H9 106.7 . . ?
O1 C8 N1 123.9(4) . . ?
O1 C8 C2 130.0(4) . . ?
N1 C8 C2 106.0(3) . . ?
O2 C7 N1 124.8(4) . . ?
O2 C7 C1 129.1(4) . . ?
N1 C7 C1 106.0(3) . . ?
C9 C10 C11 110.5(4) . . ?
C9 C10 C13 111.0(3) . . ?
C11 C10 C13 112.8(4) . . ?
C9 C10 H10 107.4 . . ?
C11 C10 H10 107.4 . . ?
C13 C10 H10 107.4 . . ?
C12 C11 C10 115.5(4) . . ?
C12 C11 H11A 108.4 . . ?
C10 C11 H11A 108.4 . . ?
C12 C11 H11B 108.4 . . ?
C10 C11 H11B 108.4 . . ?
H11A C11 H11B 107.5 . . ?
O3 C17 N2 124.2(4) . . ?
O3 C17 C9 124.1(4) . . ?
N2 C17 C9 111.6(4) . . ?
Si1 C16 H16A 109.5 . . ?
Si1 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si1 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si1 C14 H14A 109.5 . . ?
Si1 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C10 C13 Si1 115.6(3) . . ?
C10 C13 H13A 108.4 . . ?
Si1 C13 H13A 108.4 . . ?
C10 C13 H13B 108.4 . . ?
Si1 C13 H13B 108.4 . . ?
H13A C13 H13B 107.4 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C23 C18 N2 126.2(4) . . ?
C23 C18 C19 120.2(4) . . ?
N2 C18 C19 113.7(4) . . ?
N3 C19 C20 123.1(4) . . ?
N3 C19 C18 117.4(4) . . ?
C20 C19 C18 119.5(4) . . ?
C19 C20 C26 117.0(4) . . ?
C19 C20 C21 119.0(4) . . ?
C26 C20 C21 124.0(4) . . ?
C22 C21 C20 120.0(4) . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C21 C22 C23 121.9(4) . . ?
C21 C22 H22 119.0 . . ?
C23 C22 H22 119.0 . . ?
C18 C23 C22 119.5(4) . . ?
C18 C23 H23 120.3 . . ?
C22 C23 H23 120.3 . . ?
N3 C24 C25 124.2(5) . . ?
N3 C24 H24 117.9 . . ?
C25 C24 H24 117.9 . . ?
C26 C25 C24 119.3(4) . . ?
C26 C25 H25 120.4 . . ?
C24 C25 H25 120.4 . . ?
C25 C26 C20 119.2(4) . . ?
C25 C26 H26 120.4 . . ?
C20 C26 H26 120.4 . . ?
C28 C27 C32 122.3(4) . . ?
C28 C27 C33 130.0(4) . . ?
C32 C27 C33 107.7(4) . . ?
C27 C28 C29 116.4(4) . . ?
C27 C28 H28 121.8 . . ?
C29 C28 H28 121.8 . . ?
C30 C29 C28 121.8(5) . . ?
C30 C29 H29 119.1 . . ?
C28 C29 H29 119.1 . . ?
C29 C30 C31 121.3(4) . . ?
C29 C30 H30 119.3 . . ?
C31 C30 H30 119.3 . . ?
C32 C31 C30 117.2(4) . . ?
C32 C31 H31 121.4 . . ?
C30 C31 H31 121.4 . . ?
C27 C32 C31 120.9(4) . . ?
C27 C32 C34 108.9(4) . . ?
C31 C32 C34 130.1(4) . . ?
O4 C33 N4 123.7(4) . . ?
O4 C33 C27 130.0(4) . . ?
N4 C33 C27 106.3(3) . . ?
O5 C34 N4 124.9(4) . . ?
O5 C34 C32 129.1(4) . . ?
N4 C34 C32 106.0(3) . . ?
N4 C35 C43 109.9(3) . . ?
N4 C35 C36 114.2(4) . . ?
C43 C35 C36 114.2(3) . . ?
N4 C35 H35 105.9 . . ?
C43 C35 H35 105.9 . . ?
C36 C35 H35 105.9 . . ?
C37 C36 C35 111.3(4) . . ?
C37 C36 C39 112.5(4) . . ?
C35 C36 C39 110.1(4) . . ?
C37 C36 H36 107.6 . . ?
C35 C36 H36 107.6 . . ?
C39 C36 H36 107.6 . . ?
C38 C37 C36 112.4(5) . . ?
C38 C37 H37A 109.1 . . ?
C36 C37 H37A 109.1 . . ?
C38 C37 H37B 109.1 . . ?
C36 C37 H37B 109.1 . . ?
H37A C37 H37B 107.9 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C36 C39 Si2 123.9(3) . . ?
C36 C39 H39A 106.3 . . ?
Si2 C39 H39A 106.3 . . ?
C36 C39 H39B 106.3 . . ?
Si2 C39 H39B 106.3 . . ?
H39A C39 H39B 106.4 . . ?
Si2 C40 H40A 109.5 . . ?
Si2 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
Si2 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Si2 C41 H41A 109.5 . . ?
Si2 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
Si2 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
Si2 C42 H42A 109.5 . . ?
Si2 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
Si2 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
O6 C43 N5 124.0(4) . . ?
O6 C43 C35 120.3(4) . . ?
N5 C43 C35 115.7(4) . . ?
C49 C44 N5 125.9(4) . . ?
C49 C44 C45 119.1(4) . . ?
N5 C44 C45 114.9(4) . . ?
N6 C45 C46 123.0(4) . . ?
N6 C45 C44 117.2(4) . . ?
C46 C45 C44 119.7(4) . . ?
C45 C46 C47 119.3(4) . . ?
C45 C46 C52 117.0(4) . . ?
C47 C46 C52 123.6(4) . . ?
C48 C47 C46 120.0(4) . . ?
C48 C47 H47 120.0 . . ?
C46 C47 H47 120.0 . . ?
C47 C48 C49 121.5(4) . . ?
C47 C48 H48 119.3 . . ?
C49 C48 H48 119.3 . . ?
C44 C49 C48 120.3(4) . . ?
C44 C49 H49 119.8 . . ?
C48 C49 H49 119.8 . . ?
N6 C50 C51 123.2(5) . . ?
N6 C50 H50 118.4 . . ?
C51 C50 H50 118.4 . . ?
C52 C51 C50 119.1(4) . . ?
C52 C51 H51 120.4 . . ?
C50 C51 H51 120.4 . . ?
C51 C52 C46 119.6(4) . . ?
C51 C52 H52 120.2 . . ?
C46 C52 H52 120.2 . . ?

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
C6 C1 C2 C3 -1.9(6) . . . . ?
C7 C1 C2 C3 178.1(4) . . . . ?
C6 C1 C2 C8 178.7(4) . . . . ?
C7 C1 C2 C8 -1.4(5) . . . . ?
C1 C2 C3 C4 2.4(7) . . . . ?
C8 C2 C3 C4 -178.3(4) . . . . ?
C2 C3 C4 C5 -1.1(7) . . . . ?
C3 C4 C5 C6 -0.8(7) . . . . ?
C2 C1 C6 C5 0.0(6) . . . . ?
C7 C1 C6 C5 -180.0(4) . . . . ?
C4 C5 C6 C1 1.3(6) . . . . ?
C8 N1 C9 C10 129.8(4) . . . . ?
C7 N1 C9 C10 -50.0(5) . . . . ?
C8 N1 C9 C17 -101.8(4) . . . . ?
C7 N1 C9 C17 78.4(5) . . . . ?
C7 N1 C8 O1 -176.0(4) . . . . ?
C9 N1 C8 O1 4.2(7) . . . . ?
C7 N1 C8 C2 2.0(5) . . . . ?
C9 N1 C8 C2 -177.8(3) . . . . ?
C3 C2 C8 O1 -1.9(8) . . . . ?
C1 C2 C8 O1 177.5(5) . . . . ?
C3 C2 C8 N1 -179.7(4) . . . . ?
C1 C2 C8 N1 -0.3(5) . . . . ?
C8 N1 C7 O2 174.9(4) . . . . ?
C9 N1 C7 O2 -5.3(7) . . . . ?
C8 N1 C7 C1 -2.8(4) . . . . ?
C9 N1 C7 C1 177.0(4) . . . . ?
C6 C1 C7 O2 4.9(8) . . . . ?
C2 C1 C7 O2 -175.1(4) . . . . ?
C6 C1 C7 N1 -177.5(4) . . . . ?
C2 C1 C7 N1 2.5(4) . . . . ?
N1 C9 C10 C11 -51.6(5) . . . . ?
C17 C9 C10 C11 -176.3(4) . . . . ?
N1 C9 C10 C13 -177.5(4) . . . . ?
C17 C9 C10 C13 57.7(5) . . . . ?
C9 C10 C11 C12 -61.0(5) . . . . ?
C13 C10 C11 C12 63.9(5) . . . . ?
C18 N2 C17 O3 2.9(7) . . . . ?
C18 N2 C17 C9 -176.1(4) . . . . ?
N1 C9 C17 O3 -105.8(5) . . . . ?
C10 C9 C17 O3 21.5(6) . . . . ?
N1 C9 C17 N2 73.2(4) . . . . ?
C10 C9 C17 N2 -159.4(4) . . . . ?
C9 C10 C13 Si1 -171.4(3) . . . . ?
C11 C10 C13 Si1 64.0(5) . . . . ?
C15 Si1 C13 C10 151.1(4) . . . . ?
C14 Si1 C13 C10 32.7(4) . . . . ?
C16 Si1 C13 C10 -89.5(4) . . . . ?
C17 N2 C18 C23 -6.2(7) . . . . ?
C17 N2 C18 C19 173.5(4) . . . . ?
C24 N3 C19 C20 1.6(7) . . . . ?
C24 N3 C19 C18 -177.9(4) . . . . ?
C23 C18 C19 N3 179.9(4) . . . . ?
N2 C18 C19 N3 0.1(6) . . . . ?
C23 C18 C19 C20 0.4(6) . . . . ?
N2 C18 C19 C20 -179.4(4) . . . . ?
N3 C19 C20 C26 -1.6(6) . . . . ?
C18 C19 C20 C26 177.9(4) . . . . ?
N3 C19 C20 C21 -179.5(4) . . . . ?
C18 C19 C20 C21 0.0(6) . . . . ?
C19 C20 C21 C22 0.1(7) . . . . ?
C26 C20 C21 C22 -177.7(4) . . . . ?
C20 C21 C22 C23 -0.5(7) . . . . ?
N2 C18 C23 C22 179.0(4) . . . . ?
C19 C18 C23 C22 -0.7(6) . . . . ?
C21 C22 C23 C18 0.8(7) . . . . ?
C19 N3 C24 C25 -0.3(7) . . . . ?
N3 C24 C25 C26 -1.0(8) . . . . ?
C24 C25 C26 C20 0.9(7) . . . . ?
C19 C20 C26 C25 0.3(7) . . . . ?
C21 C20 C26 C25 178.1(5) . . . . ?
C32 C27 C28 C29 1.3(6) . . . . ?
C33 C27 C28 C29 179.2(4) . . . . ?
C27 C28 C29 C30 -1.4(7) . . . . ?
C28 C29 C30 C31 0.7(7) . . . . ?
C29 C30 C31 C32 0.2(7) . . . . ?
C28 C27 C32 C31 -0.4(6) . . . . ?
C33 C27 C32 C31 -178.8(4) . . . . ?
C28 C27 C32 C34 177.3(4) . . . . ?
C33 C27 C32 C34 -1.1(4) . . . . ?
C30 C31 C32 C27 -0.3(6) . . . . ?
C30 C31 C32 C34 -177.5(4) . . . . ?
C34 N4 C33 O4 -178.1(4) . . . . ?
C35 N4 C33 O4 2.3(6) . . . . ?
C34 N4 C33 C27 1.3(4) . . . . ?
C35 N4 C33 C27 -178.4(3) . . . . ?
C28 C27 C33 O4 1.0(8) . . . . ?
C32 C27 C33 O4 179.2(4) . . . . ?
C28 C27 C33 N4 -178.2(4) . . . . ?
C32 C27 C33 N4 -0.1(4) . . . . ?
C33 N4 C34 O5 177.1(4) . . . . ?
C35 N4 C34 O5 -3.3(7) . . . . ?
C33 N4 C34 C32 -1.9(4) . . . . ?
C35 N4 C34 C32 177.7(4) . . . . ?
C27 C32 C34 O5 -177.1(4) . . . . ?
C31 C32 C34 O5 0.3(8) . . . . ?
C27 C32 C34 N4 1.8(4) . . . . ?
C31 C32 C34 N4 179.2(4) . . . . ?
C34 N4 C35 C43 84.3(5) . . . . ?
C33 N4 C35 C43 -96.1(4) . . . . ?
C34 N4 C35 C36 -45.7(5) . . . . ?
C33 N4 C35 C36 133.9(4) . . . . ?
N4 C35 C36 C37 -46.8(5) . . . . ?
C43 C35 C36 C37 -174.5(4) . . . . ?
N4 C35 C36 C39 -172.2(3) . . . . ?
C43 C35 C36 C39 60.0(5) . . . . ?
C35 C36 C37 C38 170.0(4) . . . . ?
C39 C36 C37 C38 -65.9(6) . . . . ?
C37 C36 C39 Si2 -51.7(5) . . . . ?
C35 C36 C39 Si2 73.0(5) . . . . ?
C40 Si2 C39 C36 -53.8(5) . . . . ?
C41 Si2 C39 C36 71.9(5) . . . . ?
C42 Si2 C39 C36 -172.8(4) . . . . ?
C44 N5 C43 O6 -5.2(7) . . . . ?
C44 N5 C43 C35 173.7(4) . . . . ?
N4 C35 C43 O6 119.7(4) . . . . ?
C36 C35 C43 O6 -110.4(5) . . . . ?
N4 C35 C43 N5 -59.2(5) . . . . ?
C36 C35 C43 N5 70.7(5) . . . . ?
C43 N5 C44 C49 1.4(7) . . . . ?
C43 N5 C44 C45 -176.9(4) . . . . ?
C50 N6 C45 C46 -0.5(6) . . . . ?
C50 N6 C45 C44 177.3(4) . . . . ?
C49 C44 C45 N6 -179.6(4) . . . . ?
N5 C44 C45 N6 -1.1(5) . . . . ?
C49 C44 C45 C46 -1.7(6) . . . . ?
N5 C44 C45 C46 176.7(4) . . . . ?
N6 C45 C46 C47 179.2(4) . . . . ?
C44 C45 C46 C47 1.5(6) . . . . ?
N6 C45 C46 C52 -0.2(6) . . . . ?
C44 C45 C46 C52 -178.0(4) . . . . ?
C45 C46 C47 C48 -1.0(7) . . . . ?
C52 C46 C47 C48 178.4(4) . . . . ?
C46 C47 C48 C49 0.8(7) . . . . ?
N5 C44 C49 C48 -176.8(4) . . . . ?
C45 C44 C49 C48 1.5(6) . . . . ?
C47 C48 C49 C44 -1.1(7) . . . . ?
C45 N6 C50 C51 0.8(7) . . . . ?
N6 C50 C51 C52 -0.5(7) . . . . ?
C50 C51 C52 C46 -0.3(7) . . . . ?
C45 C46 C52 C51 0.6(7) . . . . ?
C47 C46 C52 C51 -178.8(4) . . . . ?

_refine_diff_density_max         0.270
_refine_diff_density_min         -0.270
_refine_diff_density_rms         0.050

