# Electronic Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2013

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#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
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data_f120608a

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H50 F6 N2 O Si5'
_chemical_formula_weight         733.19

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           ?
_symmetry_space_group_name_H-M   ?

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.9145(7)
_cell_length_b                   13.3510(8)
_cell_length_c                   14.5688(9)
_cell_angle_alpha                115.7100(10)
_cell_angle_beta                 108.8790(10)
_cell_angle_gamma                90.4120(10)
_cell_volume                     1945.9(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.251
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             776
_exptl_absorpt_coefficient_mu    0.239
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.9426
_exptl_absorpt_correction_T_max  0.9537
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            24141
_diffrn_reflns_av_R_equivalents  0.0277
_diffrn_reflns_av_sigmaI/netI    0.0361
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.66
_diffrn_reflns_theta_max         27.55
_reflns_number_total             8905
_reflns_number_gt                6297
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F^2^, conventional R-factors R are based 
 on F, with F set to zero for negative F^2^. The threshold expression of 
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.6725P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8905
_refine_ls_number_parameters     487
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0728
_refine_ls_R_factor_gt           0.0463
_refine_ls_wR_factor_ref         0.1575
_refine_ls_wR_factor_gt          0.1319
_refine_ls_goodness_of_fit_ref   0.893
_refine_ls_restrained_S_all      0.893
_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
Si1 Si 0.67061(5) 0.65874(4) 0.38610(4) 0.03667(14) Uani 1 1 d . A 1
Si2 Si 0.39357(6) 0.68732(5) 0.36609(6) 0.05522(19) Uani 1 1 d . A 1
Si3 Si 0.51649(6) 0.77462(6) 0.24991(6) 0.05432(18) Uani 1 1 d . A 1
Si4 Si 0.94672(5) 0.77632(5) 0.49441(6) 0.05286(18) Uani 1 1 d . A 1
Si5 Si 0.81745(7) 0.75990(6) 0.64337(5) 0.05757(19) Uani 1 1 d . A 1
N1 N 0.72057(15) 0.59991(13) 0.27474(14) 0.0402(4) Uani 1 1 d . A 1
N2 N 0.63916(16) 0.52846(13) 0.37864(14) 0.0439(4) Uani 1 1 d . A 1
H2 H 0.6032 0.5183 0.4173 0.053 Uiso 1 1 calc R A 1
O1 O 0.77595(16) 0.39792(15) 0.35721(15) 0.0592(4) Uani 1 1 d . . .
F1 F 1.000(3) 0.3166(11) -0.092(2) 0.180(9) Uani 0.442(18) 1 d P B 1
F2 F 0.9527(15) 0.1695(8) -0.0967(14) 0.131(7) Uani 0.442(18) 1 d P B 1
F3 F 1.0996(10) 0.284(2) 0.0383(11) 0.162(7) Uani 0.442(18) 1 d P B 1
F4 F 0.2091(8) 0.0851(9) -0.0948(6) 0.145(4) Uani 0.507(14) 1 d P C 1
F5 F 0.2266(14) 0.0352(13) 0.0380(15) 0.208(8) Uani 0.507(14) 1 d P C 1
F6 F 0.3202(9) -0.0265(9) -0.0681(15) 0.189(10) Uani 0.507(14) 1 d P C 1
F1' F 0.9394(9) 0.261(2) -0.1348(7) 0.179(8) Uani 0.558(18) 1 d P B 2
F2' F 1.0034(19) 0.1731(11) -0.044(2) 0.178(7) Uani 0.558(18) 1 d P B 2
F3' F 1.0911(7) 0.3284(8) -0.0005(10) 0.115(3) Uani 0.558(18) 1 d P B 2
F4' F 0.1996(7) 0.0598(12) 0.0074(12) 0.144(6) Uani 0.493(14) 1 d P C 2
F5' F 0.3345(10) -0.0436(7) 0.0115(10) 0.171(5) Uani 0.493(14) 1 d P C 2
F6' F 0.2874(16) 0.0215(11) -0.0975(6) 0.150(7) Uani 0.493(14) 1 d P C 2
C1 C 0.54558(18) 0.74345(16) 0.37158(17) 0.0421(4) Uani 1 1 d . A 1
C2 C 0.6027(2) 0.85783(17) 0.48084(19) 0.0485(5) Uani 1 1 d . A 1
H2A H 0.5714 0.9198 0.4690 0.058 Uiso 1 1 calc R A 1
H2B H 0.5796 0.8546 0.5376 0.058 Uiso 1 1 calc R A 1
C3 C 0.7411(2) 0.87993(17) 0.5189(2) 0.0511(5) Uani 1 1 d . A 1
H3A H 0.7742 0.9394 0.5938 0.061 Uiso 1 1 calc R A 1
H3B H 0.7646 0.9053 0.4736 0.061 Uiso 1 1 calc R A 1
C4 C 0.79430(18) 0.77010(16) 0.51174(17) 0.0426(4) Uani 1 1 d . A 1
C5 C 0.3960(3) 0.6075(3) 0.4449(4) 0.0945(11) Uani 1 1 d . . .
H5A H 0.3158 0.5895 0.4408 0.142 Uiso 1 1 calc R A 1
H5B H 0.4470 0.6529 0.5199 0.142 Uiso 1 1 calc R A 1
H5C H 0.4265 0.5390 0.4144 0.142 Uiso 1 1 calc R A 1
C6 C 0.2890(3) 0.5876(3) 0.2265(3) 0.0974(11) Uani 1 1 d . . .
H6A H 0.2117 0.5711 0.2288 0.146 Uiso 1 1 calc R A 1
H6B H 0.3206 0.5190 0.1999 0.146 Uiso 1 1 calc R A 1
H6C H 0.2807 0.6210 0.1786 0.146 Uiso 1 1 calc R A 1
C7 C 0.3171(3) 0.8077(3) 0.4270(4) 0.0961(12) Uani 1 1 d . . .
H7A H 0.3173 0.8578 0.3956 0.144 Uiso 1 1 calc R A 1
H7B H 0.3594 0.8479 0.5046 0.144 Uiso 1 1 calc R A 1
H7C H 0.2356 0.7791 0.4119 0.144 Uiso 1 1 calc R A 1
C8 C 0.4825(3) 0.6448(3) 0.1165(2) 0.0812(9) Uani 1 1 d . . .
H8A H 0.4503 0.6635 0.0576 0.122 Uiso 1 1 calc R A 1
H8B H 0.4246 0.5893 0.1098 0.122 Uiso 1 1 calc R A 1
H8C H 0.5552 0.6151 0.1138 0.122 Uiso 1 1 calc R A 1
C9 C 0.3891(3) 0.8558(3) 0.2371(3) 0.0866(10) Uani 1 1 d . . .
H9A H 0.3792 0.8740 0.1783 0.130 Uiso 1 1 calc R A 1
H9B H 0.4069 0.9242 0.3041 0.130 Uiso 1 1 calc R A 1
H9C H 0.3162 0.8108 0.2223 0.130 Uiso 1 1 calc R A 1
C10 C 0.6443(3) 0.8684(3) 0.2642(3) 0.0906(10) Uani 1 1 d . . .
H10A H 0.7125 0.8306 0.2641 0.136 Uiso 1 1 calc R A 1
H10B H 0.6651 0.9368 0.3317 0.136 Uiso 1 1 calc R A 1
H10C H 0.6210 0.8862 0.2042 0.136 Uiso 1 1 calc R A 1
C11 C 0.9458(2) 0.8265(3) 0.3934(3) 0.0745(8) Uani 1 1 d . . .
H11A H 0.9249 0.9006 0.4162 0.112 Uiso 1 1 calc R A 1
H11B H 0.8877 0.7756 0.3230 0.112 Uiso 1 1 calc R A 1
H11C H 1.0243 0.8293 0.3889 0.112 Uiso 1 1 calc R A 1
C12 C 1.0704(3) 0.8767(3) 0.6238(3) 0.0894(10) Uani 1 1 d . . .
H12A H 1.1396 0.8896 0.6077 0.134 Uiso 1 1 calc R A 1
H12B H 1.0914 0.8450 0.6737 0.134 Uiso 1 1 calc R A 1
H12C H 1.0436 0.9469 0.6563 0.134 Uiso 1 1 calc R A 1
C13 C 1.0008(2) 0.6378(2) 0.4492(2) 0.0658(7) Uani 1 1 d . . .
H13A H 0.9629 0.5940 0.3713 0.099 Uiso 1 1 calc R A 1
H13B H 0.9808 0.5977 0.4843 0.099 Uiso 1 1 calc R A 1
H13C H 1.0866 0.6509 0.4687 0.099 Uiso 1 1 calc R A 1
C14 C 0.8902(4) 0.8994(3) 0.7673(3) 0.1137(15) Uani 1 1 d . . .
H14A H 0.8419 0.9555 0.7628 0.171 Uiso 1 1 calc R A 1
H14B H 0.9690 0.9212 0.7707 0.171 Uiso 1 1 calc R A 1
H14C H 0.8969 0.8927 0.8318 0.171 Uiso 1 1 calc R A 1
C15 C 0.9074(3) 0.6494(3) 0.6558(3) 0.0839(9) Uani 1 1 d . . .
H15A H 0.9087 0.6424 0.7190 0.126 Uiso 1 1 calc R A 1
H15B H 0.9882 0.6704 0.6631 0.126 Uiso 1 1 calc R A 1
H15C H 0.8714 0.5784 0.5916 0.126 Uiso 1 1 calc R A 1
C16 C 0.6757(3) 0.7219(3) 0.6577(3) 0.0860(9) Uani 1 1 d . . .
H16A H 0.6945 0.7192 0.7257 0.129 Uiso 1 1 calc R A 1
H16B H 0.6340 0.6493 0.5983 0.129 Uiso 1 1 calc R A 1
H16C H 0.6255 0.7776 0.6563 0.129 Uiso 1 1 calc R A 1
C17 C 0.67769(19) 0.43857(17) 0.30293(17) 0.0436(5) Uani 1 1 d . A 1
C18 C 0.72383(17) 0.49528(16) 0.24492(16) 0.0392(4) Uani 1 1 d . A 1
C19 C 0.78222(18) 0.43137(17) 0.16547(17) 0.0431(5) Uani 1 1 d . A 1
C20 C 0.7897(2) 0.31808(18) 0.1308(2) 0.0538(6) Uani 1 1 d . A 1
H20 H 0.7513 0.2764 0.1526 0.065 Uiso 1 1 calc R A 1
C21 C 0.8542(2) 0.2662(2) 0.0635(2) 0.0604(6) Uani 1 1 d . A 1
H21 H 0.8585 0.1900 0.0404 0.073 Uiso 1 1 calc R A 1
C22 C 0.9110(2) 0.3264(2) 0.0314(2) 0.0599(6) Uani 1 1 d . A 1
C23 C 0.9022(3) 0.4382(2) 0.0633(3) 0.0802(9) Uani 1 1 d . . .
H23 H 0.9401 0.4791 0.0405 0.096 Uiso 1 1 calc R A 1
C24 C 0.8374(3) 0.4901(2) 0.1293(2) 0.0677(7) Uani 1 1 d . A 1
H24 H 0.8310 0.5655 0.1495 0.081 Uiso 1 1 calc R A 1
C25 C 0.57694(19) 0.33752(16) 0.22404(18) 0.0457(5) Uani 1 1 d . A 1
C26 C 0.4825(2) 0.3446(2) 0.1443(2) 0.0608(6) Uani 1 1 d . A 1
H26 H 0.4795 0.4121 0.1400 0.073 Uiso 1 1 calc R A 1
C27 C 0.3915(3) 0.2531(3) 0.0700(2) 0.0783(9) Uani 1 1 d . . .
H27 H 0.3287 0.2592 0.0158 0.094 Uiso 1 1 calc R A 1
C28 C 0.3938(3) 0.1545(2) 0.0760(3) 0.0790(10) Uani 1 1 d . C .
C29 C 0.4868(3) 0.1457(2) 0.1561(3) 0.0841(10) Uani 1 1 d . . .
H29 H 0.4878 0.0783 0.1607 0.101 Uiso 1 1 calc R A 1
C30 C 0.5791(3) 0.2365(2) 0.2302(3) 0.0666(7) Uani 1 1 d . A 1
H30 H 0.6422 0.2298 0.2838 0.080 Uiso 1 1 calc R A 1
C31 C 0.9855(3) 0.2720(3) -0.0361(3) 0.0859(10) Uani 1 1 d . . .
C32 C 0.2956(4) 0.0548(3) -0.0052(4) 0.1163(17) Uani 1 1 d . . .
H1 H 0.825(4) 0.467(3) 0.423(3) 0.129(14) Uiso 1 1 d . D 4

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Si1 0.0394(3) 0.0272(2) 0.0396(3) 0.0114(2) 0.0153(2) 0.00379(19)
Si2 0.0442(3) 0.0449(3) 0.0759(5) 0.0240(3) 0.0263(3) 0.0070(3)
Si3 0.0564(4) 0.0505(4) 0.0569(4) 0.0288(3) 0.0158(3) 0.0109(3)
Si4 0.0402(3) 0.0426(3) 0.0656(4) 0.0207(3) 0.0132(3) 0.0004(2)
Si5 0.0685(4) 0.0480(4) 0.0419(3) 0.0125(3) 0.0142(3) 0.0030(3)
N1 0.0407(8) 0.0335(8) 0.0440(9) 0.0158(7) 0.0156(7) 0.0041(6)
N2 0.0573(10) 0.0313(8) 0.0459(9) 0.0143(7) 0.0272(8) 0.0033(7)
O1 0.0586(10) 0.0529(10) 0.0638(11) 0.0305(9) 0.0142(8) 0.0124(8)
F1 0.32(2) 0.106(7) 0.252(19) 0.091(10) 0.259(19) 0.093(10)
F2 0.154(9) 0.048(5) 0.155(9) -0.030(6) 0.120(8) -0.015(6)
F3 0.094(6) 0.212(16) 0.161(9) 0.047(9) 0.077(6) 0.066(8)
F4 0.096(5) 0.120(6) 0.120(5) -0.010(4) 0.014(4) -0.040(4)
F5 0.221(12) 0.124(8) 0.194(12) -0.049(7) 0.147(10) -0.119(9)
F6 0.107(5) 0.074(6) 0.225(17) -0.079(7) 0.075(8) -0.018(4)
F1' 0.116(5) 0.316(19) 0.077(4) 0.049(7) 0.060(4) 0.073(8)
F2' 0.256(15) 0.101(8) 0.281(17) 0.087(10) 0.222(14) 0.106(9)
F3' 0.067(4) 0.108(5) 0.135(7) 0.009(4) 0.062(4) -0.001(3)
F4' 0.051(3) 0.146(8) 0.149(9) 0.002(5) 0.027(4) -0.034(3)
F5' 0.233(10) 0.063(4) 0.149(7) 0.021(4) 0.030(6) -0.070(5)
F6' 0.192(15) 0.116(9) 0.067(4) -0.001(5) 0.020(5) -0.076(9)
C1 0.0414(10) 0.0337(10) 0.0502(11) 0.0173(9) 0.0184(9) 0.0073(8)
C2 0.0522(12) 0.0333(10) 0.0553(13) 0.0146(9) 0.0219(10) 0.0106(9)
C3 0.0526(12) 0.0286(10) 0.0593(13) 0.0119(9) 0.0167(10) 0.0037(8)
C4 0.0430(10) 0.0307(9) 0.0453(11) 0.0127(8) 0.0120(9) 0.0025(8)
C5 0.0715(19) 0.109(3) 0.144(3) 0.083(3) 0.053(2) 0.0132(18)
C6 0.0638(18) 0.088(2) 0.101(3) 0.020(2) 0.0161(18) -0.0160(16)
C7 0.0761(19) 0.0711(19) 0.153(3) 0.039(2) 0.073(2) 0.0260(16)
C8 0.102(2) 0.078(2) 0.0549(16) 0.0293(15) 0.0200(16) 0.0214(17)
C9 0.083(2) 0.083(2) 0.099(2) 0.055(2) 0.0193(18) 0.0306(17)
C10 0.089(2) 0.108(3) 0.100(2) 0.075(2) 0.0276(19) 0.0008(19)
C11 0.0588(15) 0.0746(18) 0.110(2) 0.0516(18) 0.0413(16) 0.0122(13)
C12 0.0560(16) 0.078(2) 0.092(2) 0.0201(17) 0.0032(15) -0.0187(14)
C13 0.0461(12) 0.0605(15) 0.0816(18) 0.0283(14) 0.0183(12) 0.0129(11)
C14 0.161(4) 0.081(2) 0.0513(17) 0.0001(16) 0.024(2) -0.025(2)
C15 0.095(2) 0.092(2) 0.0727(19) 0.0513(18) 0.0207(17) 0.0253(18)
C16 0.102(2) 0.097(2) 0.0720(19) 0.0394(18) 0.0458(18) 0.0155(19)
C17 0.0482(11) 0.0344(10) 0.0462(11) 0.0160(9) 0.0183(9) 0.0057(8)
C18 0.0368(9) 0.0325(9) 0.0409(10) 0.0121(8) 0.0122(8) 0.0014(7)
C19 0.0420(10) 0.0357(10) 0.0437(11) 0.0109(8) 0.0164(9) 0.0042(8)
C20 0.0580(13) 0.0379(11) 0.0614(14) 0.0145(10) 0.0286(11) 0.0049(9)
C21 0.0591(14) 0.0388(12) 0.0709(16) 0.0110(11) 0.0288(12) 0.0086(10)
C22 0.0557(13) 0.0499(13) 0.0631(15) 0.0092(11) 0.0319(12) 0.0066(10)
C23 0.106(2) 0.0539(15) 0.105(2) 0.0285(15) 0.079(2) 0.0144(15)
C24 0.0923(19) 0.0398(12) 0.0865(19) 0.0225(12) 0.0603(17) 0.0152(12)
C25 0.0503(11) 0.0307(10) 0.0532(12) 0.0115(9) 0.0263(10) 0.0021(8)
C26 0.0550(13) 0.0508(13) 0.0652(15) 0.0222(12) 0.0145(12) -0.0020(10)
C27 0.0570(15) 0.081(2) 0.0680(18) 0.0150(15) 0.0157(13) -0.0145(14)
C28 0.0757(19) 0.0481(15) 0.089(2) -0.0044(14) 0.0513(17) -0.0172(13)
C29 0.096(2) 0.0361(13) 0.127(3) 0.0236(16) 0.067(2) -0.0005(13)
C30 0.0725(16) 0.0432(13) 0.0914(19) 0.0301(13) 0.0398(15) 0.0075(11)
C31 0.078(2) 0.0631(19) 0.107(3) 0.0140(19) 0.057(2) 0.0128(15)
C32 0.106(3) 0.076(3) 0.117(3) -0.015(2) 0.065(3) -0.037(2)

_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 1.7257(17) . ?
Si1 N1 1.7691(17) . ?
Si1 C1 1.890(2) . ?
Si1 C4 1.896(2) . ?
Si2 C6 1.857(3) . ?
Si2 C5 1.870(3) . ?
Si2 C7 1.872(3) . ?
Si2 C1 1.919(2) . ?
Si3 C10 1.862(3) . ?
Si3 C8 1.871(3) . ?
Si3 C9 1.879(3) . ?
Si3 C1 1.918(2) . ?
Si4 C11 1.860(3) . ?
Si4 C12 1.871(3) . ?
Si4 C13 1.872(3) . ?
Si4 C4 1.919(2) . ?
Si5 C16 1.860(3) . ?
Si5 C15 1.867(3) . ?
Si5 C14 1.878(3) . ?
Si5 C4 1.912(2) . ?
N1 C18 1.275(2) . ?
N2 C17 1.433(3) . ?
O1 C17 1.440(3) . ?
F1 C31 1.248(12) . ?
F2 C31 1.235(9) . ?
F3 C31 1.392(12) . ?
F4 C32 1.589(13) . ?
F5 C32 1.271(14) . ?
F6 C32 1.192(7) . ?
F1' C31 1.301(10) . ?
F2' C31 1.301(12) . ?
F3' C31 1.282(7) . ?
F4' C32 1.213(11) . ?
F5' C32 1.488(10) . ?
F6' C32 1.189(9) . ?
C1 C2 1.582(3) . ?
C2 C3 1.540(3) . ?
C3 C4 1.577(3) . ?
C17 C25 1.523(3) . ?
C17 C18 1.562(3) . ?
C18 C19 1.491(3) . ?
C19 C24 1.378(3) . ?
C19 C20 1.385(3) . ?
C20 C21 1.392(3) . ?
C21 C22 1.360(4) . ?
C22 C23 1.372(4) . ?
C22 C31 1.495(4) . ?
C23 C24 1.382(4) . ?
C25 C26 1.369(3) . ?
C25 C30 1.390(3) . ?
C26 C27 1.383(3) . ?
C27 C28 1.358(5) . ?
C28 C29 1.373(5) . ?
C28 C32 1.502(4) . ?
C29 C30 1.386(4) . ?

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 92.10(8) . . ?
N2 Si1 C1 119.10(9) . . ?
N1 Si1 C1 115.95(9) . . ?
N2 Si1 C4 119.07(9) . . ?
N1 Si1 C4 110.36(9) . . ?
C1 Si1 C4 100.87(9) . . ?
C6 Si2 C5 102.57(18) . . ?
C6 Si2 C7 108.72(18) . . ?
C5 Si2 C7 103.04(18) . . ?
C6 Si2 C1 114.21(14) . . ?
C5 Si2 C1 117.38(13) . . ?
C7 Si2 C1 110.02(12) . . ?
C10 Si3 C8 106.19(18) . . ?
C10 Si3 C9 103.09(17) . . ?
C8 Si3 C9 108.62(16) . . ?
C10 Si3 C1 113.84(12) . . ?
C8 Si3 C1 113.45(12) . . ?
C9 Si3 C1 111.00(14) . . ?
C11 Si4 C12 104.70(15) . . ?
C11 Si4 C13 106.06(14) . . ?
C12 Si4 C13 105.57(15) . . ?
C11 Si4 C4 112.90(11) . . ?
C12 Si4 C4 112.68(14) . . ?
C13 Si4 C4 114.14(11) . . ?
C16 Si5 C15 103.96(17) . . ?
C16 Si5 C14 104.08(18) . . ?
C15 Si5 C14 109.39(19) . . ?
C16 Si5 C4 114.33(13) . . ?
C15 Si5 C4 113.15(12) . . ?
C14 Si5 C4 111.30(14) . . ?
C18 N1 Si1 110.88(14) . . ?
C17 N2 Si1 114.64(13) . . ?
C2 C1 Si1 100.79(13) . . ?
C2 C1 Si3 108.52(14) . . ?
Si1 C1 Si3 112.70(11) . . ?
C2 C1 Si2 108.43(14) . . ?
Si1 C1 Si2 117.64(11) . . ?
Si3 C1 Si2 108.17(10) . . ?
C3 C2 C1 111.51(17) . . ?
C2 C3 C4 111.20(17) . . ?
C3 C4 Si1 100.06(13) . . ?
C3 C4 Si5 109.52(15) . . ?
Si1 C4 Si5 114.55(10) . . ?
C3 C4 Si4 109.91(14) . . ?
Si1 C4 Si4 113.65(11) . . ?
Si5 C4 Si4 108.78(10) . . ?
N2 C17 O1 112.23(18) . . ?
N2 C17 C25 112.28(17) . . ?
O1 C17 C25 106.98(17) . . ?
N2 C17 C18 103.49(16) . . ?
O1 C17 C18 108.65(17) . . ?
C25 C17 C18 113.25(17) . . ?
N1 C18 C19 120.98(18) . . ?
N1 C18 C17 118.33(18) . . ?
C19 C18 C17 120.37(17) . . ?
C24 C19 C20 118.3(2) . . ?
C24 C19 C18 117.90(19) . . ?
C20 C19 C18 123.7(2) . . ?
C19 C20 C21 120.6(2) . . ?
C22 C21 C20 120.2(2) . . ?
C21 C22 C23 119.8(2) . . ?
C21 C22 C31 120.1(3) . . ?
C23 C22 C31 120.1(3) . . ?
C22 C23 C24 120.4(3) . . ?
C19 C24 C23 120.7(2) . . ?
C26 C25 C30 118.6(2) . . ?
C26 C25 C17 120.09(19) . . ?
C30 C25 C17 121.3(2) . . ?
C25 C26 C27 121.2(3) . . ?
C28 C27 C26 120.1(3) . . ?
C27 C28 C29 119.9(3) . . ?
C27 C28 C32 120.1(4) . . ?
C29 C28 C32 120.0(4) . . ?
C28 C29 C30 120.5(3) . . ?
C29 C30 C25 119.8(3) . . ?
F2 C31 F1 107.7(9) . . ?
F2 C31 F3' 126.6(7) . . ?
F1 C31 F3' 65.4(9) . . ?
F2 C31 F1' 74.4(9) . . ?
F1 C31 F1' 39.8(8) . . ?
F3' C31 F1' 102.6(6) . . ?
F2 C31 F2' 36.3(10) . . ?
F1 C31 F2' 129.6(8) . . ?
F3' C31 F2' 104.9(8) . . ?
F1' C31 F2' 107.9(8) . . ?
F2 C31 F3 105.8(10) . . ?
F1 C31 F3 106.3(10) . . ?
F3' C31 F3 42.0(7) . . ?
F1' C31 F3 137.3(7) . . ?
F2' C31 F3 71.7(8) . . ?
F2 C31 C22 115.3(6) . . ?
F1 C31 C22 115.4(6) . . ?
F3' C31 C22 114.5(4) . . ?
F1' C31 C22 112.7(5) . . ?
F2' C31 C22 113.3(6) . . ?
F3 C31 C22 105.6(6) . . ?
F6' C32 F6 46.4(8) . . ?
F6' C32 F4' 114.0(12) . . ?
F6 C32 F4' 125.0(8) . . ?
F6' C32 F5 132.6(8) . . ?
F6 C32 F5 115.5(10) . . ?
F4' C32 F5 31.1(14) . . ?
F6' C32 F5' 99.7(7) . . ?
F6 C32 F5' 53.6(9) . . ?
F4' C32 F5' 103.6(9) . . ?
F5 C32 F5' 75.8(10) . . ?
F6' C32 C28 114.5(6) . . ?
F6 C32 C28 118.6(5) . . ?
F4' C32 C28 115.8(7) . . ?
F5 C32 C28 111.8(7) . . ?
F5' C32 C28 106.8(5) . . ?
F6' C32 F4 51.8(9) . . ?
F6 C32 F4 95.7(10) . . ?
F4' C32 F4 73.3(8) . . ?
F5 C32 F4 103.7(12) . . ?
F5' C32 F4 141.4(5) . . ?
C28 C32 F4 108.8(4) . . ?

_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        27.55
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         0.380
_refine_diff_density_min         -0.224
_refine_diff_density_rms         0.048
_database_code_depnum_ccdc_archive 'CCDC 941167'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_f121009a

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H54 N2 O2 Si5'
_chemical_formula_weight         639.22

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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                   17.9250(19)
_cell_length_b                   19.611(2)
_cell_length_c                   11.0217(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 102.677(2)
_cell_angle_gamma                90.00
_cell_volume                     3779.9(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3589
_cell_measurement_theta_min      2.38
_cell_measurement_theta_max      22.82

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.123
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1384
_exptl_absorpt_coefficient_mu    0.218
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9376
_exptl_absorpt_correction_T_max  0.9476
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            20530
_diffrn_reflns_av_R_equivalents  0.0507
_diffrn_reflns_av_sigmaI/netI    0.0582
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         1.56
_diffrn_reflns_theta_max         25.00
_reflns_number_total             6639
_reflns_number_gt                4116
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F^2^, conventional R-factors R are based 
 on F, with F set to zero for negative F^2^. The threshold expression of 
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.1105P)^2^+1.6640P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6639
_refine_ls_number_parameters     384
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0986
_refine_ls_R_factor_gt           0.0561
_refine_ls_wR_factor_ref         0.1871
_refine_ls_wR_factor_gt          0.1520
_refine_ls_goodness_of_fit_ref   0.913
_refine_ls_restrained_S_all      0.913
_refine_ls_shift/su_max          0.042
_refine_ls_shift/su_mean         0.001

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.72847(5) 0.98551(4) 0.35824(8) 0.0434(2) Uani 1 1 d . . .
Si2 Si 0.61043(7) 0.85550(6) 0.36486(13) 0.0767(4) Uani 1 1 d . . .
Si3 Si 0.63445(6) 0.91884(6) 0.11756(10) 0.0638(3) Uani 1 1 d . . .
Si4 Si 0.69136(7) 1.14312(5) 0.37591(11) 0.0685(3) Uani 1 1 d . . .
Si5 Si 0.74499(7) 1.06082(6) 0.62218(10) 0.0666(3) Uani 1 1 d . . .
C18 C 0.8295(2) 0.94119(17) 0.4124(3) 0.0524(8) Uani 1 1 d . . .
C17 C 0.83564(19) 1.01295(17) 0.2528(3) 0.0512(8) Uani 1 1 d . . .
O1 O 1.01164(18) 1.13650(17) -0.0462(3) 0.0964(10) Uani 1 1 d . . .
O2 O 0.9478(2) 0.74792(18) 0.7780(3) 0.1131(12) Uani 1 1 d . . .
C1 C 0.63663(18) 0.93747(16) 0.2903(3) 0.0502(8) Uani 1 1 d . . .
C2 C 0.57789(19) 0.9941(2) 0.3101(4) 0.0626(10) Uani 1 1 d . . .
H2A H 0.5713 1.0269 0.2427 0.075 Uiso 1 1 calc R . .
H2B H 0.5286 0.9731 0.3085 0.075 Uiso 1 1 calc R . .
C3 C 0.6058(2) 1.0311(2) 0.4348(4) 0.0640(10) Uani 1 1 d . . .
H3A H 0.6013 1.0008 0.5025 0.077 Uiso 1 1 calc R . .
H3B H 0.5738 1.0706 0.4382 0.077 Uiso 1 1 calc R . .
C4 C 0.69172(18) 1.05436(17) 0.4509(3) 0.0510(8) Uani 1 1 d . . .
C5 C 0.6102(3) 0.8595(2) 0.5354(5) 0.0936(15) Uani 1 1 d . . .
H5A H 0.6021 0.8146 0.5648 0.140 Uiso 1 1 calc R . .
H5B H 0.5700 0.8892 0.5478 0.140 Uiso 1 1 calc R . .
H5C H 0.6585 0.8767 0.5805 0.140 Uiso 1 1 calc R . .
C6 C 0.6721(3) 0.7821(2) 0.3378(5) 0.1120(18) Uani 1 1 d . . .
H6A H 0.6626 0.7436 0.3860 0.168 Uiso 1 1 calc R . .
H6B H 0.7249 0.7949 0.3623 0.168 Uiso 1 1 calc R . .
H6C H 0.6602 0.7703 0.2511 0.168 Uiso 1 1 calc R . .
C7 C 0.5069(3) 0.8328(3) 0.3011(6) 0.140(3) Uani 1 1 d . . .
H7A H 0.4947 0.8392 0.2126 0.209 Uiso 1 1 calc R . .
H7B H 0.4749 0.8616 0.3384 0.209 Uiso 1 1 calc R . .
H7C H 0.4985 0.7860 0.3199 0.209 Uiso 1 1 calc R . .
C8 C 0.7264(2) 0.8788(3) 0.0994(4) 0.0905(14) Uani 1 1 d . . .
H8A H 0.7157 0.8440 0.0368 0.136 Uiso 1 1 calc R . .
H8B H 0.7519 0.8590 0.1771 0.136 Uiso 1 1 calc R . .
H8C H 0.7586 0.9130 0.0752 0.136 Uiso 1 1 calc R . .
C9 C 0.5574(3) 0.8584(2) 0.0384(5) 0.0951(16) Uani 1 1 d . . .
H9A H 0.5085 0.8745 0.0487 0.143 Uiso 1 1 calc R . .
H9B H 0.5669 0.8139 0.0747 0.143 Uiso 1 1 calc R . .
H9C H 0.5573 0.8560 -0.0486 0.143 Uiso 1 1 calc R . .
C10 C 0.6170(3) 0.9959(2) 0.0176(4) 0.0814(13) Uani 1 1 d . . .
H10A H 0.6062 0.9825 -0.0682 0.122 Uiso 1 1 calc R . .
H10B H 0.6615 1.0245 0.0348 0.122 Uiso 1 1 calc R . .
H10C H 0.5741 1.0206 0.0346 0.122 Uiso 1 1 calc R . .
C11 C 0.7896(3) 1.1787(3) 0.3913(5) 0.1119(19) Uani 1 1 d . . .
H11A H 0.8216 1.1453 0.3641 0.168 Uiso 1 1 calc R . .
H11B H 0.8105 1.1901 0.4767 0.168 Uiso 1 1 calc R . .
H11C H 0.7872 1.2189 0.3410 0.168 Uiso 1 1 calc R . .
C12 C 0.6437(3) 1.1502(2) 0.2091(4) 0.0875(14) Uani 1 1 d . . .
H12A H 0.6420 1.1972 0.1843 0.131 Uiso 1 1 calc R . .
H12B H 0.5926 1.1326 0.1966 0.131 Uiso 1 1 calc R . .
H12C H 0.6719 1.1244 0.1602 0.131 Uiso 1 1 calc R . .
C13 C 0.6307(4) 1.2044(3) 0.4443(6) 0.148(3) Uani 1 1 d . . .
H13A H 0.6138 1.2407 0.3864 0.221 Uiso 1 1 calc R . .
H13B H 0.6604 1.2229 0.5204 0.221 Uiso 1 1 calc R . .
H13C H 0.5872 1.1807 0.4609 0.221 Uiso 1 1 calc R . .
C14 C 0.7206(4) 1.1378(3) 0.7046(5) 0.140(3) Uani 1 1 d . . .
H14A H 0.7525 1.1396 0.7867 0.210 Uiso 1 1 calc R . .
H14B H 0.6679 1.1356 0.7101 0.210 Uiso 1 1 calc R . .
H14C H 0.7286 1.1780 0.6593 0.210 Uiso 1 1 calc R . .
C15 C 0.7244(4) 0.9897(3) 0.7221(4) 0.141(3) Uani 1 1 d . . .
H15A H 0.7399 0.9472 0.6918 0.211 Uiso 1 1 calc R . .
H15B H 0.6706 0.9884 0.7199 0.211 Uiso 1 1 calc R . .
H15C H 0.7522 0.9968 0.8061 0.211 Uiso 1 1 calc R . .
C16 C 0.8504(2) 1.0610(3) 0.6374(4) 0.0914(14) Uani 1 1 d . . .
H16A H 0.8622 1.0791 0.5629 0.137 Uiso 1 1 calc R . .
H16B H 0.8694 1.0152 0.6501 0.137 Uiso 1 1 calc R . .
H16C H 0.8740 1.0887 0.7071 0.137 Uiso 1 1 calc R . .
N2 N 0.76390(15) 1.02740(15) 0.2417(3) 0.0551(7) Uani 1 1 d . . .
N1 N 0.87304(16) 0.96470(15) 0.3455(3) 0.0566(7) Uani 1 1 d . . .
C19 C 0.88270(19) 1.04356(19) 0.1760(3) 0.0563(9) Uani 1 1 d . . .
C20 C 0.9605(2) 1.0302(2) 0.1951(3) 0.0631(10) Uani 1 1 d . . .
H20 H 0.9829 1.0006 0.2586 0.076 Uiso 1 1 calc R . .
C21 C 1.0053(2) 1.0594(2) 0.1231(4) 0.0702(11) Uani 1 1 d . . .
H21 H 1.0572 1.0492 0.1374 0.084 Uiso 1 1 calc R . .
C22 C 0.9726(2) 1.1046(2) 0.0281(4) 0.0657(10) Uani 1 1 d . . .
C23 C 0.8956(2) 1.1182(2) 0.0089(4) 0.0778(12) Uani 1 1 d . . .
H23 H 0.8734 1.1484 -0.0537 0.093 Uiso 1 1 calc R . .
C24 C 0.8513(2) 1.0883(2) 0.0797(3) 0.0684(11) Uani 1 1 d . . .
H24 H 0.7993 1.0979 0.0636 0.082 Uiso 1 1 calc R . .
C25 C 1.0920(3) 1.1296(3) -0.0235(5) 0.0986(16) Uani 1 1 d . . .
H25A H 1.1147 1.1493 0.0558 0.148 Uiso 1 1 calc R . .
H25B H 1.1108 1.1528 -0.0876 0.148 Uiso 1 1 calc R . .
H25C H 1.1052 1.0822 -0.0233 0.148 Uiso 1 1 calc R . .
C26 C 0.8600(2) 0.89064(18) 0.5066(3) 0.0564(9) Uani 1 1 d . . .
C27 C 0.8169(3) 0.8564(2) 0.5744(4) 0.0828(13) Uani 1 1 d . . .
H27 H 0.7649 0.8659 0.5599 0.099 Uiso 1 1 calc R . .
C28 C 0.8459(3) 0.8093(3) 0.6615(4) 0.0894(14) Uani 1 1 d . . .
H28 H 0.8135 0.7872 0.7042 0.107 Uiso 1 1 calc R . .
C29 C 0.9221(3) 0.7937(2) 0.6878(4) 0.0804(13) Uani 1 1 d . . .
C30 C 0.9687(3) 0.8265(3) 0.6220(4) 0.0927(14) Uani 1 1 d . . .
H30 H 1.0206 0.8161 0.6369 0.111 Uiso 1 1 calc R . .
C31 C 0.9386(2) 0.8739(2) 0.5355(4) 0.0843(13) Uani 1 1 d . . .
H31 H 0.9711 0.8964 0.4934 0.101 Uiso 1 1 calc R . .
C32 C 1.0250(4) 0.7289(3) 0.8083(5) 0.128(2) Uani 1 1 d . . .
H32A H 1.0395 0.7108 0.7359 0.192 Uiso 1 1 calc R . .
H32B H 1.0327 0.6949 0.8724 0.192 Uiso 1 1 calc R . .
H32C H 1.0559 0.7681 0.8373 0.192 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Si1 0.0372(5) 0.0413(5) 0.0501(5) 0.0023(4) 0.0060(4) 0.0025(4)
Si2 0.0670(7) 0.0574(7) 0.1009(9) 0.0061(6) 0.0081(6) -0.0187(6)
Si3 0.0509(6) 0.0665(7) 0.0683(7) -0.0168(5) 0.0007(5) 0.0058(5)
Si4 0.0815(8) 0.0427(6) 0.0757(7) 0.0004(5) 0.0050(6) 0.0072(5)
Si5 0.0729(7) 0.0658(7) 0.0569(6) -0.0099(5) 0.0051(5) 0.0080(6)
C18 0.055(2) 0.0445(19) 0.0538(19) -0.0036(16) 0.0036(16) 0.0008(16)
C17 0.0470(19) 0.052(2) 0.0509(18) -0.0031(16) 0.0018(14) 0.0049(16)
O1 0.084(2) 0.111(3) 0.107(2) 0.0334(19) 0.0492(19) 0.0062(18)
O2 0.142(3) 0.092(2) 0.095(2) 0.029(2) 0.005(2) 0.022(2)
C1 0.0388(17) 0.0453(19) 0.065(2) -0.0018(16) 0.0073(15) -0.0016(14)
C2 0.0388(18) 0.065(2) 0.084(3) -0.007(2) 0.0130(17) 0.0028(17)
C3 0.051(2) 0.067(2) 0.077(2) -0.001(2) 0.0215(18) 0.0094(18)
C4 0.0475(18) 0.050(2) 0.0550(19) -0.0024(16) 0.0100(15) 0.0035(15)
C5 0.086(3) 0.086(3) 0.113(4) 0.025(3) 0.031(3) -0.021(3)
C6 0.153(5) 0.051(3) 0.125(4) 0.001(3) 0.016(4) 0.001(3)
C7 0.089(4) 0.156(6) 0.163(6) 0.016(5) 0.004(4) -0.074(4)
C8 0.071(3) 0.104(4) 0.093(3) -0.036(3) 0.010(2) 0.021(3)
C9 0.075(3) 0.084(3) 0.109(4) -0.033(3) -0.018(3) 0.000(2)
C10 0.077(3) 0.101(3) 0.063(2) -0.002(2) 0.009(2) 0.008(3)
C11 0.111(4) 0.073(3) 0.130(4) 0.025(3) -0.022(3) -0.036(3)
C12 0.088(3) 0.063(3) 0.101(3) 0.026(2) 0.000(3) 0.012(2)
C13 0.230(8) 0.090(4) 0.133(5) 0.007(4) 0.061(5) 0.084(5)
C14 0.156(5) 0.153(6) 0.087(3) -0.057(4) -0.024(3) 0.077(4)
C15 0.208(7) 0.154(6) 0.059(3) 0.011(3) 0.026(4) -0.039(5)
C16 0.074(3) 0.102(4) 0.084(3) 0.002(3) -0.011(2) 0.010(3)
N2 0.0451(16) 0.0600(18) 0.0587(17) 0.0052(14) 0.0078(13) 0.0018(13)
N1 0.0515(17) 0.0589(18) 0.0593(17) 0.0013(15) 0.0121(14) 0.0047(14)
C19 0.0485(19) 0.062(2) 0.058(2) -0.0002(18) 0.0115(16) 0.0019(17)
C20 0.047(2) 0.074(3) 0.065(2) 0.005(2) 0.0060(17) 0.0075(18)
C21 0.052(2) 0.081(3) 0.078(3) 0.007(2) 0.017(2) 0.007(2)
C22 0.059(2) 0.072(3) 0.070(2) 0.002(2) 0.0240(19) 0.001(2)
C23 0.066(3) 0.096(3) 0.074(3) 0.026(2) 0.020(2) 0.009(2)
C24 0.049(2) 0.087(3) 0.068(2) 0.015(2) 0.0089(18) 0.009(2)
C25 0.078(3) 0.103(4) 0.129(4) 0.015(3) 0.053(3) 0.003(3)
C26 0.061(2) 0.050(2) 0.060(2) -0.0066(17) 0.0168(17) -0.0063(17)
C27 0.071(3) 0.095(3) 0.078(3) 0.023(3) 0.006(2) -0.008(2)
C28 0.084(3) 0.094(3) 0.087(3) 0.030(3) 0.011(2) -0.013(3)
C29 0.118(4) 0.054(2) 0.062(2) 0.007(2) 0.002(2) 0.014(2)
C30 0.087(3) 0.099(4) 0.094(3) 0.021(3) 0.024(3) 0.032(3)
C31 0.069(3) 0.090(3) 0.095(3) 0.029(3) 0.021(2) 0.027(2)
C32 0.177(6) 0.096(4) 0.089(4) 0.008(3) -0.018(4) 0.058(4)

_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 1.757(3) . ?
Si1 C4 1.896(3) . ?
Si1 C1 1.902(3) . ?
Si1 C18 1.979(3) . ?
Si2 C6 1.878(5) . ?
Si2 C5 1.882(5) . ?
Si2 C7 1.887(5) . ?
Si2 C1 1.910(3) . ?
Si3 C10 1.856(5) . ?
Si3 C8 1.875(4) . ?
Si3 C9 1.883(4) . ?
Si3 C1 1.930(4) . ?
Si4 C12 1.854(4) . ?
Si4 C11 1.866(5) . ?
Si4 C13 1.885(5) . ?
Si4 C4 1.927(4) . ?
Si5 C16 1.860(5) . ?
Si5 C14 1.863(5) . ?
Si5 C15 1.864(6) . ?
Si5 C4 1.923(3) . ?
C18 N1 1.272(4) . ?
C18 C26 1.453(5) . ?
C17 N2 1.296(4) . ?
C17 N1 1.445(4) . ?
C17 C19 1.450(5) . ?
O1 C22 1.342(4) . ?
O1 C25 1.414(5) . ?
O2 C29 1.343(5) . ?
O2 C32 1.402(6) . ?
C1 C2 1.578(5) . ?
C2 C3 1.537(5) . ?
C3 C4 1.579(5) . ?
C19 C20 1.388(5) . ?
C19 C24 1.398(5) . ?
C20 C21 1.372(5) . ?
C21 C22 1.399(5) . ?
C22 C23 1.376(5) . ?
C23 C24 1.362(5) . ?
C26 C27 1.364(5) . ?
C26 C31 1.414(5) . ?
C27 C28 1.351(6) . ?
C28 C29 1.367(6) . ?
C29 C30 1.382(7) . ?
C30 C31 1.357(6) . ?

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 C4 106.56(15) . . ?
N2 Si1 C1 111.35(14) . . ?
C4 Si1 C1 101.06(15) . . ?
N2 Si1 C18 88.41(14) . . ?
C4 Si1 C18 123.59(14) . . ?
C1 Si1 C18 123.85(14) . . ?
C6 Si2 C5 108.7(2) . . ?
C6 Si2 C7 108.9(3) . . ?
C5 Si2 C7 99.5(3) . . ?
C6 Si2 C1 111.6(2) . . ?
C5 Si2 C1 116.70(18) . . ?
C7 Si2 C1 110.7(2) . . ?
C10 Si3 C8 108.4(2) . . ?
C10 Si3 C9 103.1(2) . . ?
C8 Si3 C9 105.1(2) . . ?
C10 Si3 C1 113.28(17) . . ?
C8 Si3 C1 110.87(18) . . ?
C9 Si3 C1 115.5(2) . . ?
C12 Si4 C11 106.4(2) . . ?
C12 Si4 C13 99.7(2) . . ?
C11 Si4 C13 109.9(3) . . ?
C12 Si4 C4 116.77(18) . . ?
C11 Si4 C4 112.60(19) . . ?
C13 Si4 C4 110.6(2) . . ?
C16 Si5 C14 107.3(3) . . ?
C16 Si5 C15 106.1(3) . . ?
C14 Si5 C15 102.7(3) . . ?
C16 Si5 C4 111.37(19) . . ?
C14 Si5 C4 114.4(2) . . ?
C15 Si5 C4 114.2(2) . . ?
N1 C18 C26 118.6(3) . . ?
N1 C18 Si1 107.7(2) . . ?
C26 C18 Si1 133.7(3) . . ?
N2 C17 N1 120.5(3) . . ?
N2 C17 C19 123.1(3) . . ?
N1 C17 C19 116.4(3) . . ?
C22 O1 C25 119.7(4) . . ?
C29 O2 C32 121.0(5) . . ?
C2 C1 Si1 98.2(2) . . ?
C2 C1 Si2 107.3(2) . . ?
Si1 C1 Si2 121.36(18) . . ?
C2 C1 Si3 113.6(2) . . ?
Si1 C1 Si3 108.10(17) . . ?
Si2 C1 Si3 108.14(16) . . ?
C3 C2 C1 111.1(3) . . ?
C2 C3 C4 110.8(3) . . ?
C3 C4 Si1 100.3(2) . . ?
C3 C4 Si5 113.1(2) . . ?
Si1 C4 Si5 114.79(17) . . ?
C3 C4 Si4 107.6(2) . . ?
Si1 C4 Si4 112.39(17) . . ?
Si5 C4 Si4 108.41(17) . . ?
C17 N2 Si1 109.8(2) . . ?
C18 N1 C17 113.5(3) . . ?
C20 C19 C24 117.2(3) . . ?
C20 C19 C17 121.8(3) . . ?
C24 C19 C17 121.0(3) . . ?
C21 C20 C19 122.0(4) . . ?
C20 C21 C22 119.7(4) . . ?
O1 C22 C23 117.1(4) . . ?
O1 C22 C21 124.3(4) . . ?
C23 C22 C21 118.6(4) . . ?
C24 C23 C22 121.3(4) . . ?
C23 C24 C19 121.2(4) . . ?
C27 C26 C31 114.7(4) . . ?
C27 C26 C18 124.0(4) . . ?
C31 C26 C18 121.3(3) . . ?
C28 C27 C26 123.4(4) . . ?
C27 C28 C29 120.9(4) . . ?
O2 C29 C28 118.1(5) . . ?
O2 C29 C30 123.4(5) . . ?
C28 C29 C30 118.4(4) . . ?
C31 C30 C29 119.7(4) . . ?
C30 C31 C26 122.7(4) . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.511
_refine_diff_density_min         -0.200
_refine_diff_density_rms         0.050

_database_code_depnum_ccdc_archive 'CCDC 941168'