# Electronic Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2012


data_global
_journal_name_full               Chem.Commun.
_journal_coden_cambridge         0182
#TrackingRef 'Gesamtcif.cif'

_audit_creation_method           'manual editing of form.cif'

_publ_contact_author_phone       '049 228 73-5345'
_publ_contact_author_fax         '049 228 73-9616'
_publ_contact_author_email       r.streubel@uni-bonn.de

_publ_contact_author_name        'Streubel, Rainer'
_publ_contact_author_address     
; Institut f\"ur Anorganische Chemie
Rheinische Friedrich-Wilhelms-University of Bonn
Gerhard-Domagk-Str. 1
D-53121 Bonn
Germany
;

_publ_section_title              
;
The difference between the reactivity of a terminal phosphinidene and a
Li/Cl phosphiniodenoid complex in cycloaddition chemistry - in the importance
of template-induced selectivity
;

loop_
_publ_author_address
; Institut f\"ur Anorganische Chemie
Rheinische Friedrich-Wilhelms-University of Bonn
Gerhard-Domagk-Str. 1
D-53121 Bonn
Germany
;
; Institut f\"ur Anorganische Chemie
Rheinische Friedrich-Wilhelms-University of Bonn
Gerhard-Domagk-Str. 1
D-53121 Bonn
Germany
;
; Institut f\"ur Anorganische Chemie
Rheinische Friedrich-Wilhelms-University of Bonn
Gerhard-Domagk-Str. 1
D-53121 Bonn
Germany
;
; Departamento de Quimica Organica
Universidad de Murcia,
Campus de Espinardo
30100 Murcia
Spain
;
_publ_author_name                R.Streubel

#------------------------------------------------------------------------------

data_4
_database_code_depnum_ccdc_archive 'CCDC 857934'
#TrackingRef 'Gesamtcif.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C18 H26 N O5 P S Si2 W'
_chemical_formula_sum            'C18 H26 N O5 P S Si2 W'
_chemical_formula_weight         639.46

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'

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

_cell_length_a                   9.2854(4)
_cell_length_b                   9.7913(5)
_cell_length_c                   15.3748(7)
_cell_angle_alpha                72.585(2)
_cell_angle_beta                 74.551(3)
_cell_angle_gamma                77.633(3)
_cell_volume                     1271.75(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    4617
_cell_measurement_theta_min      1.00
_cell_measurement_theta_max      29.13

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.670
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             628
_exptl_absorpt_coefficient_mu    4.807
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_correction_T_min  0.2494
_exptl_absorpt_correction_T_max  0.6997
_exptl_absorpt_process_details   
;
R.H. Blessing, Acta Cryst. (1995), A51, 33-38
;

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_detector_area_resol_mean 9
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            16486
_diffrn_reflns_av_R_equivalents  0.0913
_diffrn_reflns_av_sigmaI/netI    0.0962
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.43
_diffrn_reflns_theta_max         28.00
_reflns_number_total             5984
_reflns_number_gt                4775
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction        
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'

_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^)+(0.0239P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0015(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_number_reflns         5984
_refine_ls_number_parameters     290
_refine_ls_number_restraints     52
_refine_ls_R_factor_all          0.0581
_refine_ls_R_factor_gt           0.0401
_refine_ls_wR_factor_ref         0.0832
_refine_ls_wR_factor_gt          0.0779
_refine_ls_goodness_of_fit_ref   0.951
_refine_ls_restrained_S_all      0.955
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3895(5) 0.7390(5) 0.7392(4) 0.0181(11) Uani 1 1 d . . .
H1 H 0.3396 0.7384 0.6892 0.022 Uiso 1 1 calc R A 1
C2 C 0.2981(5) 0.8280(6) 0.8030(4) 0.0194(11) Uani 1 1 d . C .
C3 C 0.2896(6) 0.7918(6) 0.8976(4) 0.0246(12) Uani 1 1 d . . .
H3 H 0.3424 0.7057 0.9302 0.030 Uiso 1 1 calc R B 1
C4 C 0.1339(12) 1.0234(11) 0.8455(7) 0.0334(17) Uani 0.849(6) 1 d PU C 1
H4 H 0.0668 1.1122 0.8388 0.040 Uiso 0.849(6) 1 calc PR C 1
S S 0.1758(2) 0.9163(2) 0.94936(15) 0.0330(6) Uani 0.849(6) 1 d PU C 1
C4S C 0.206(6) 0.948(5) 0.949(3) 0.0333(18) Uani 0.151(6) 1 d PDU C 2
H4S H 0.2034 0.9646 1.0068 0.040 Uiso 0.151(6) 1 calc PR C 2
SS S 0.1369(16) 1.0478(15) 0.8589(9) 0.027(4) Uani 0.151(6) 1 d PDU C 2
C5 C 0.2105(5) 0.9630(6) 0.7741(4) 0.0206(11) Uani 1 1 d . . .
H5 H 0.2055 1.0077 0.7108 0.025 Uiso 1 1 calc R C 1
C6 C 0.4378(6) 0.4689(6) 0.7609(4) 0.0256(13) Uani 1 1 d . . .
H6A H 0.3381 0.4454 0.7971 0.038 Uiso 1 1 calc R D 1
H6B H 0.5151 0.3863 0.7775 0.038 Uiso 1 1 calc R D 1
H6C H 0.4400 0.4906 0.6941 0.038 Uiso 1 1 calc R D 1
C7 C 0.6690(5) 0.7670(5) 0.7856(3) 0.0160(11) Uani 1 1 d . . .
H7 H 0.5761 0.7791 0.8353 0.019 Uiso 1 1 calc R E 1
C8 C 0.7896(7) 0.4365(6) 0.8462(4) 0.0334(14) Uani 1 1 d U F 1
H8A H 0.8195 0.4344 0.7804 0.050 Uiso 1 1 calc R F 1
H8B H 0.6865 0.4136 0.8720 0.050 Uiso 1 1 calc R F 1
H8C H 0.8589 0.3649 0.8812 0.050 Uiso 1 1 calc R F 1
C9 C 0.9988(6) 0.6478(7) 0.8192(4) 0.0352(12) Uani 1 1 d U F 1
H9A H 1.0567 0.5738 0.8607 0.053 Uiso 1 1 calc R F 1
H9B H 1.0068 0.7439 0.8231 0.053 Uiso 1 1 calc R F 1
H9C H 1.0391 0.6402 0.7548 0.053 Uiso 1 1 calc R F 1
C10 C 0.7254(7) 0.6261(7) 0.9803(4) 0.0389(13) Uani 1 1 d U F 1
H10A H 0.6189 0.6122 1.0002 0.058 Uiso 1 1 calc R F 1
H10B H 0.7351 0.7201 0.9868 0.058 Uiso 1 1 calc R F 1
H10C H 0.7846 0.5489 1.0194 0.058 Uiso 1 1 calc R F 1
C11 C 0.8965(6) 0.9809(6) 0.6491(4) 0.0242(12) Uani 1 1 d . G 1
H11A H 0.8796 0.9754 0.5900 0.036 Uiso 1 1 calc R G 1
H11B H 0.9773 0.9038 0.6682 0.036 Uiso 1 1 calc R G 1
H11C H 0.9256 1.0751 0.6409 0.036 Uiso 1 1 calc R G 1
C12 C 0.7358(7) 1.0123(7) 0.8448(4) 0.0345(15) Uani 1 1 d . G 1
H12A H 0.7535 1.1132 0.8256 0.052 Uiso 1 1 calc R G 1
H12B H 0.8207 0.9499 0.8701 0.052 Uiso 1 1 calc R G 1
H12C H 0.6424 1.0020 0.8929 0.052 Uiso 1 1 calc R G 1
C13 C 0.5561(6) 1.0811(6) 0.6960(4) 0.0269(13) Uani 1 1 d . G 1
H13A H 0.5868 1.1757 0.6611 0.040 Uiso 1 1 calc R G 1
H13B H 0.4714 1.0930 0.7485 0.040 Uiso 1 1 calc R G 1
H13C H 0.5248 1.0393 0.6547 0.040 Uiso 1 1 calc R G 1
C14 C 0.8239(6) 0.6640(6) 0.4164(4) 0.0244(12) Uani 1 1 d . H 1
C15 C 0.6950(5) 0.9021(6) 0.4974(4) 0.0214(12) Uani 1 1 d . H 1
C16 C 0.5279(6) 0.6662(5) 0.5244(4) 0.0202(11) Uani 1 1 d . H 1
C17 C 0.7693(5) 0.4632(6) 0.5999(4) 0.0227(12) Uani 1 1 d . H 1
C18 C 0.9376(6) 0.6888(5) 0.5661(4) 0.0205(12) Uani 1 1 d . H 1
N N 0.4681(4) 0.5956(4) 0.7818(3) 0.0190(9) Uani 1 1 d . H 1
O1 O 0.8748(5) 0.6541(5) 0.3422(3) 0.0390(11) Uani 1 1 d . H 1
O2 O 0.6777(4) 1.0246(4) 0.4661(3) 0.0321(10) Uani 1 1 d . H 1
O3 O 0.4166(4) 0.6546(4) 0.5112(3) 0.0292(9) Uani 1 1 d . H 1
O4 O 0.7950(4) 0.3407(4) 0.6293(3) 0.0310(9) Uani 1 1 d . H 1
O5 O 1.0574(4) 0.6884(4) 0.5736(3) 0.0339(10) Uani 1 1 d . H 1
P P 0.59632(14) 0.70750(14) 0.70746(9) 0.0154(3) Uani 1 1 d . H 1
Si1 Si 0.79694(16) 0.62041(17) 0.85544(11) 0.0234(3) Uani 1 1 d U F 1
Si2 Si 0.71820(16) 0.95834(16) 0.74138(10) 0.0202(3) Uani 1 1 d . G 1
W W 0.72994(2) 0.68236(2) 0.547767(14) 0.01680(9) Uani 1 1 d . H 1

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C1 0.014(2) 0.018(3) 0.023(3) -0.007(2) -0.004(2) -0.002(2)
C2 0.015(2) 0.021(3) 0.022(3) -0.007(2) -0.002(2) -0.002(2)
C3 0.017(3) 0.025(3) 0.029(3) -0.007(3) -0.005(2) 0.003(2)
C4 0.032(2) 0.033(2) 0.0340(17) -0.0087(12) -0.0075(15) -0.0033(14)
S 0.0326(11) 0.0366(11) 0.0278(9) -0.0149(8) -0.0030(8) 0.0040(8)
C4S 0.032(2) 0.033(2) 0.0339(19) -0.0089(13) -0.0074(15) -0.0037(14)
SS 0.026(4) 0.027(4) 0.028(4) -0.008(2) -0.006(2) -0.0026(19)
C5 0.016(2) 0.023(3) 0.022(3) -0.004(2) -0.007(2) 0.000(2)
C6 0.023(3) 0.020(3) 0.032(3) -0.005(3) -0.001(2) -0.009(2)
C7 0.019(2) 0.016(3) 0.015(3) -0.005(2) -0.004(2) -0.003(2)
C8 0.0335(16) 0.0327(16) 0.0332(16) -0.0076(10) -0.0075(10) -0.0037(10)
C9 0.0323(13) 0.0357(16) 0.0365(16) -0.0065(10) -0.0087(9) -0.0055(10)
C10 0.0406(16) 0.0390(16) 0.0367(14) -0.0100(10) -0.0086(9) -0.0046(10)
C11 0.024(3) 0.015(3) 0.036(3) -0.006(2) -0.009(2) -0.005(2)
C12 0.040(3) 0.032(4) 0.038(4) -0.017(3) -0.007(3) -0.009(3)
C13 0.025(3) 0.019(3) 0.034(3) -0.003(3) -0.008(2) -0.002(2)
C14 0.025(3) 0.015(3) 0.033(4) -0.002(3) -0.016(3) 0.004(2)
C15 0.015(2) 0.020(3) 0.024(3) -0.006(2) -0.002(2) 0.004(2)
C16 0.027(3) 0.011(3) 0.023(3) -0.005(2) -0.006(2) -0.003(2)
C17 0.014(2) 0.024(3) 0.026(3) -0.005(3) -0.003(2) 0.003(2)
C18 0.027(3) 0.010(3) 0.023(3) -0.004(2) 0.000(2) -0.005(2)
N 0.015(2) 0.016(2) 0.025(2) -0.0075(19) -0.0004(18) -0.0012(17)
O1 0.045(3) 0.038(3) 0.027(2) -0.013(2) -0.001(2) 0.006(2)
O2 0.041(2) 0.015(2) 0.032(2) -0.0027(18) -0.0029(19) 0.0015(18)
O3 0.026(2) 0.027(2) 0.041(2) -0.0122(19) -0.0134(18) -0.0029(18)
O4 0.030(2) 0.013(2) 0.044(3) -0.0064(18) -0.0038(19) 0.0009(17)
O5 0.017(2) 0.038(3) 0.051(3) -0.018(2) -0.0074(18) -0.0025(18)
P 0.0140(6) 0.0123(7) 0.0195(7) -0.0038(5) -0.0042(5) -0.0006(5)
Si1 0.0233(7) 0.0211(8) 0.0260(8) -0.0015(7) -0.0114(6) -0.0025(6)
Si2 0.0199(7) 0.0169(8) 0.0263(8) -0.0077(6) -0.0074(6) -0.0022(6)
W 0.01597(12) 0.01330(12) 0.02030(14) -0.00607(9) -0.00314(8) 0.00111(8)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.481(7) . ?
C1 N 1.483(6) . ?
C1 P 1.833(5) . ?
C1 H1 1.0000 . ?
C2 C3 1.374(7) . ?
C2 C5 1.410(7) . ?
C3 S 1.679(6) . ?
C3 C4S 1.86(7) . ?
C3 H3 0.9500 . ?
C4 C5 1.360(11) . ?
C4 S 1.719(10) . ?
C4 H4 0.9500 . ?
C4S SS 1.63(2) . ?
C4S H4S 0.9500 . ?
SS C5 1.668(14) . ?
C5 H5 0.9500 . ?
C6 N 1.470(6) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 P 1.804(5) . ?
C7 Si2 1.903(5) . ?
C7 Si1 1.911(5) . ?
C7 H7 1.0000 . ?
C8 Si1 1.865(6) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 Si1 1.861(5) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 Si1 1.871(6) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 Si2 1.876(5) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 Si2 1.875(6) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 Si2 1.866(5) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 O1 1.137(6) . ?
C14 W 2.021(6) . ?
C15 O2 1.145(6) . ?
C15 W 2.042(5) . ?
C16 O3 1.139(6) . ?
C16 W 2.048(5) . ?
C17 O4 1.145(6) . ?
C17 W 2.042(6) . ?
C18 O5 1.147(6) . ?
C18 W 2.038(5) . ?
N P 1.734(4) . ?
P W 2.4973(13) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 N 117.3(4) . . ?
C2 C1 P 125.3(3) . . ?
N C1 P 62.0(2) . . ?
C2 C1 H1 114.0 . . ?
N C1 H1 114.0 . . ?
P C1 H1 114.0 . . ?
C3 C2 C5 111.0(5) . . ?
C3 C2 C1 124.8(5) . . ?
C5 C2 C1 124.2(5) . . ?
C2 C3 S 112.6(4) . . ?
C2 C3 C4S 112.0(10) . . ?
C2 C3 H3 123.7 . . ?
S C3 H3 123.7 . . ?
C4S C3 H3 122.6 . . ?
C5 C4 S 110.3(7) . . ?
C5 C4 H4 124.8 . . ?
S C4 H4 124.8 . . ?
C3 S C4 92.3(4) . . ?
SS C4S C3 95(3) . . ?
SS C4S H4S 132.3 . . ?
C3 C4S H4S 132.3 . . ?
C4S SS C5 106(2) . . ?
C4 C5 C2 113.7(6) . . ?
C2 C5 SS 113.6(6) . . ?
C4 C5 H5 123.2 . . ?
C2 C5 H5 123.2 . . ?
SS C5 H5 122.7 . . ?
P C7 Si2 115.7(3) . . ?
P C7 Si1 114.7(3) . . ?
Si2 C7 Si1 118.4(2) . . ?
P C7 H7 101.3 . . ?
Si2 C7 H7 101.3 . . ?
Si1 C7 H7 101.3 . . ?
O1 C14 W 179.0(5) . . ?
O2 C15 W 177.6(5) . . ?
O3 C16 W 178.7(4) . . ?
O4 C17 W 178.2(4) . . ?
O5 C18 W 176.8(5) . . ?
C6 N C1 117.2(4) . . ?
C6 N P 123.5(3) . . ?
C1 N P 68.9(2) . . ?
N P C7 103.8(2) . . ?
N P C1 49.0(2) . . ?
C7 P C1 108.6(2) . . ?
N P W 123.12(15) . . ?
C7 P W 126.76(16) . . ?
C1 P W 120.45(17) . . ?
C9 Si1 C8 107.3(3) . . ?
C9 Si1 C10 108.6(3) . . ?
C8 Si1 C10 108.7(3) . . ?
C9 Si1 C7 113.5(2) . . ?
C8 Si1 C7 111.9(2) . . ?
C10 Si1 C7 106.6(3) . . ?
C13 Si2 C12 107.5(3) . . ?
C13 Si2 C11 109.7(2) . . ?
C12 Si2 C11 109.1(2) . . ?
C13 Si2 C7 108.1(2) . . ?
C12 Si2 C7 107.1(2) . . ?
C11 Si2 C7 115.0(2) . . ?
C14 W C18 89.8(2) . . ?
C14 W C15 89.4(2) . . ?
C18 W C15 91.09(19) . . ?
C14 W C17 91.2(2) . . ?
C18 W C17 87.42(19) . . ?
C15 W C17 178.4(2) . . ?
C14 W C16 87.2(2) . . ?
C18 W C16 176.3(2) . . ?
C15 W C16 91.1(2) . . ?
C17 W C16 90.4(2) . . ?
C14 W P 176.04(15) . . ?
C18 W P 94.11(14) . . ?
C15 W P 89.88(14) . . ?
C17 W P 89.63(15) . . ?
C16 W P 88.89(14) . . ?

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
N C1 C2 C3 4.8(7) . . . . ?
P C1 C2 C3 -68.9(6) . . . . ?
N C1 C2 C5 -176.6(4) . . . . ?
P C1 C2 C5 109.8(5) . . . . ?
C5 C2 C3 S 1.3(5) . . . . ?
C1 C2 C3 S -179.9(4) . . . . ?
C5 C2 C3 C4S -13.5(19) . . . . ?
C1 C2 C3 C4S 165.3(18) . . . . ?
C2 C3 S C4 0.1(5) . . . . ?
C4S C3 S C4 90(4) . . . . ?
C5 C4 S C3 -1.4(6) . . . . ?
C2 C3 C4S SS 15(3) . . . . ?
S C3 C4S SS -80(3) . . . . ?
C3 C4S SS C5 -10(2) . . . . ?
S C4 C5 C2 2.4(8) . . . . ?
S C4 C5 SS -88(7) . . . . ?
C3 C2 C5 C4 -2.4(7) . . . . ?
C1 C2 C5 C4 178.8(6) . . . . ?
C3 C2 C5 SS 6.0(7) . . . . ?
C1 C2 C5 SS -172.8(6) . . . . ?
C4S SS C5 C4 98(7) . . . . ?
C4S SS C5 C2 5(2) . . . . ?
C2 C1 N C6 124.7(4) . . . . ?
P C1 N C6 -117.8(4) . . . . ?
C2 C1 N P -117.5(4) . . . . ?
C6 N P C7 -147.7(4) . . . . ?
C1 N P C7 102.8(3) . . . . ?
C6 N P C1 109.4(5) . . . . ?
C6 N P W 5.8(5) . . . . ?
C1 N P W -103.6(3) . . . . ?
Si2 C7 P N -146.2(3) . . . . ?
Si1 C7 P N 70.4(3) . . . . ?
Si2 C7 P C1 -95.2(3) . . . . ?
Si1 C7 P C1 121.4(3) . . . . ?
Si2 C7 P W 61.6(3) . . . . ?
Si1 C7 P W -81.8(3) . . . . ?
C2 C1 P N 105.0(5) . . . . ?
C2 C1 P C7 12.8(5) . . . . ?
N C1 P C7 -92.3(3) . . . . ?
C2 C1 P W -145.7(4) . . . . ?
N C1 P W 109.2(2) . . . . ?
P C7 Si1 C9 110.1(3) . . . . ?
Si2 C7 Si1 C9 -32.2(4) . . . . ?
P C7 Si1 C8 -11.5(4) . . . . ?
Si2 C7 Si1 C8 -153.9(3) . . . . ?
P C7 Si1 C10 -130.3(3) . . . . ?
Si2 C7 Si1 C10 87.4(3) . . . . ?
P C7 Si2 C13 48.3(3) . . . . ?
Si1 C7 Si2 C13 -169.7(3) . . . . ?
P C7 Si2 C12 163.9(3) . . . . ?
Si1 C7 Si2 C12 -54.1(4) . . . . ?
P C7 Si2 C11 -74.6(3) . . . . ?
Si1 C7 Si2 C11 67.4(3) . . . . ?
N P W C18 -131.2(2) . . . . ?
C7 P W C18 16.1(3) . . . . ?
C1 P W C18 170.4(2) . . . . ?
N P W C15 137.7(2) . . . . ?
C7 P W C15 -75.0(3) . . . . ?
C1 P W C15 79.3(2) . . . . ?
N P W C17 -43.8(2) . . . . ?
C7 P W C17 103.5(3) . . . . ?
C1 P W C17 -102.2(2) . . . . ?
N P W C16 46.6(2) . . . . ?
C7 P W C16 -166.1(3) . . . . ?
C1 P W C16 -11.8(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.975
_diffrn_reflns_theta_full        28.00
_diffrn_measured_fraction_theta_full 0.975
_refine_diff_density_max         1.704
_refine_diff_density_min         -2.811
_refine_diff_density_rms         0.227

#------------------------------------------------------------------------------

data_5a
_database_code_depnum_ccdc_archive 'CCDC 857935'
#TrackingRef 'Gesamtcif.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C18 H26 N O5 P S Si2 W'
_chemical_formula_sum            'C18 H26 N O5 P S Si2 W'
_chemical_formula_weight         639.46

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'

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

_cell_length_a                   8.7938(3)
_cell_length_b                   10.6257(4)
_cell_length_c                   14.0699(5)
_cell_angle_alpha                107.3320(10)
_cell_angle_beta                 94.3980(10)
_cell_angle_gamma                96.2240(10)
_cell_volume                     1239.35(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9958
_cell_measurement_theta_min      2.89
_cell_measurement_theta_max      29.95

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.714
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             628
_exptl_absorpt_coefficient_mu    4.933
_exptl_absorpt_correction_type   Empirical
_exptl_absorpt_correction_T_min  0.1558
_exptl_absorpt_correction_T_max  0.4387
_exptl_absorpt_process_details   'Sadabs 2008/2'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(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 X8-KappaApexII'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17237
_diffrn_reflns_av_R_equivalents  0.0307
_diffrn_reflns_av_sigmaI/netI    0.0305
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         3.05
_diffrn_reflns_theta_max         28.00
_reflns_number_total             5910
_reflns_number_gt                5678
_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^)+(0.0089P)^2^+0.5330P] 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         5910
_refine_ls_number_parameters     269
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0177
_refine_ls_R_factor_gt           0.0167
_refine_ls_wR_factor_ref         0.0391
_refine_ls_wR_factor_gt          0.0386
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 1.3156(2) 1.23797(19) 0.89146(14) 0.0160(4) Uani 1 1 d . . .
H1A H 1.3634 1.3286 0.8933 0.019 Uiso 1 1 calc R . .
C2 C 1.3940(2) 1.2087(2) 1.06133(16) 0.0228(4) Uani 1 1 d . . .
H2A H 1.4102 1.2169 1.1306 0.027 Uiso 1 1 calc R . .
C3 C 1.4944(2) 1.1613(2) 0.99723(16) 0.0211(4) Uani 1 1 d . . .
H3A H 1.5884 1.1343 1.0165 0.025 Uiso 1 1 calc R . .
C4 C 1.4442(2) 1.15572(19) 0.89589(15) 0.0173(4) Uani 1 1 d . . .
C5 C 1.4719(2) 1.0823(2) 0.80531(16) 0.0189(4) Uani 1 1 d . . .
H5A H 1.5519 1.0280 0.7970 0.023 Uiso 1 1 calc R . .
C6 C 1.3680(2) 0.9786(2) 0.63078(16) 0.0220(4) Uani 1 1 d . . .
H6C H 1.2986 0.9929 0.5782 0.033 Uiso 1 1 calc R . .
H6B H 1.3292 0.8956 0.6431 0.033 Uiso 1 1 calc R . .
H6A H 1.4711 0.9729 0.6093 0.033 Uiso 1 1 calc R . .
C7 C 1.1885(2) 1.29283(19) 0.71360(14) 0.0147(4) Uani 1 1 d . . .
H7A H 1.1164 1.2514 0.6507 0.018 Uiso 1 1 calc R . .
C8 C 1.2199(2) 1.5606(2) 0.88830(16) 0.0221(4) Uani 1 1 d . . .
H8A H 1.3029 1.5925 0.8549 0.033 Uiso 1 1 calc R . .
H8B H 1.2637 1.5240 0.9389 0.033 Uiso 1 1 calc R . .
H8C H 1.1655 1.6348 0.9208 0.033 Uiso 1 1 calc R . .
C9 C 0.9386(2) 1.3682(2) 0.86734(16) 0.0197(4) Uani 1 1 d . . .
H9A H 0.9904 1.3271 0.9122 0.030 Uiso 1 1 calc R . .
H9B H 0.8581 1.3025 0.8214 0.030 Uiso 1 1 calc R . .
H9C H 0.8922 1.4437 0.9070 0.030 Uiso 1 1 calc R . .
C10 C 0.9704(2) 1.4970(2) 0.70663(18) 0.0269(5) Uani 1 1 d . . .
H10A H 0.9010 1.4246 0.6574 0.040 Uiso 1 1 calc R . .
H10B H 1.0418 1.5400 0.6718 0.040 Uiso 1 1 calc R . .
H10C H 0.9099 1.5625 0.7451 0.040 Uiso 1 1 calc R . .
C11 C 1.3329(3) 1.5164(2) 0.63153(18) 0.0280(5) Uani 1 1 d . . .
H11A H 1.3086 1.5855 0.6899 0.042 Uiso 1 1 calc R . .
H11B H 1.2459 1.4922 0.5786 0.042 Uiso 1 1 calc R . .
H11C H 1.4249 1.5502 0.6067 0.042 Uiso 1 1 calc R . .
C12 C 1.4185(3) 1.2462(2) 0.55111(17) 0.0262(5) Uani 1 1 d . . .
H12A H 1.3235 1.2016 0.5075 0.039 Uiso 1 1 calc R . .
H12B H 1.4747 1.1796 0.5681 0.039 Uiso 1 1 calc R . .
H12C H 1.4829 1.2949 0.5162 0.039 Uiso 1 1 calc R . .
C13 C 1.5411(2) 1.4142(2) 0.76560(17) 0.0245(5) Uani 1 1 d . . .
H13C H 1.6290 1.4513 0.7390 0.037 Uiso 1 1 calc R . .
H13B H 1.5663 1.3356 0.7831 0.037 Uiso 1 1 calc R . .
H13A H 1.5178 1.4811 0.8256 0.037 Uiso 1 1 calc R . .
C14 C 0.8071(2) 0.8275(2) 0.71614(16) 0.0217(4) Uani 1 1 d . . .
C15 C 0.8398(2) 1.0792(2) 0.67723(16) 0.0200(4) Uani 1 1 d . . .
C16 C 0.9110(2) 1.0512(2) 0.87854(16) 0.0195(4) Uani 1 1 d . . .
C17 C 1.1335(2) 0.8760(2) 0.79253(16) 0.0202(4) Uani 1 1 d . . .
C18 C 1.0170(2) 0.8788(2) 0.59644(17) 0.0255(5) Uani 1 1 d . . .
N N 1.37573(18) 1.08997(17) 0.72297(12) 0.0174(3) Uani 1 1 d . . .
O1 O 0.70769(19) 0.74168(16) 0.70155(13) 0.0319(4) Uani 1 1 d . . .
O2 O 0.76015(18) 1.13310(17) 0.63944(13) 0.0300(4) Uani 1 1 d . . .
O3 O 0.85975(18) 1.08320(16) 0.95261(12) 0.0271(3) Uani 1 1 d . . .
O4 O 1.22307(19) 0.81976(16) 0.81909(13) 0.0310(4) Uani 1 1 d . . .
O5 O 1.0259(2) 0.8163(2) 0.51569(13) 0.0445(5) Uani 1 1 d . . .
Si1 Si 1.08207(6) 1.42813(5) 0.79359(4) 0.01685(11) Uani 1 1 d . . .
Si2 Si 1.36960(6) 1.36539(6) 0.66859(4) 0.01812(11) Uani 1 1 d . . .
P P 1.20885(5) 1.15569(5) 0.76423(4) 0.01329(9) Uani 1 1 d . . .
S S 1.22902(6) 1.25497(5) 1.00759(4) 0.02104(10) Uani 1 1 d . . .
W W 0.979860(8) 0.976109(7) 0.738177(5) 0.01430(3) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C1 0.0150(9) 0.0177(10) 0.0138(9) 0.0027(7) 0.0000(7) 0.0028(7)
C2 0.0223(10) 0.0245(11) 0.0198(10) 0.0079(9) -0.0068(8) -0.0008(8)
C3 0.0178(10) 0.0216(10) 0.0228(11) 0.0081(8) -0.0060(8) 0.0009(8)
C4 0.0121(9) 0.0159(9) 0.0232(10) 0.0060(8) -0.0022(7) 0.0013(7)
C5 0.0116(9) 0.0205(10) 0.0241(11) 0.0064(8) -0.0007(8) 0.0042(7)
C6 0.0171(9) 0.0233(11) 0.0200(10) -0.0024(8) 0.0029(8) 0.0050(8)
C7 0.0125(8) 0.0166(9) 0.0142(9) 0.0039(7) 0.0009(7) 0.0018(7)
C8 0.0232(10) 0.0167(10) 0.0246(11) 0.0033(8) 0.0055(9) 0.0015(8)
C9 0.0175(9) 0.0179(10) 0.0235(11) 0.0044(8) 0.0060(8) 0.0046(8)
C10 0.0219(11) 0.0291(12) 0.0363(13) 0.0174(10) 0.0054(9) 0.0089(9)
C11 0.0255(11) 0.0300(12) 0.0338(13) 0.0162(10) 0.0098(10) 0.0044(9)
C12 0.0242(11) 0.0329(12) 0.0232(11) 0.0099(10) 0.0078(9) 0.0051(9)
C13 0.0138(9) 0.0271(11) 0.0296(12) 0.0060(9) 0.0016(8) -0.0019(8)
C14 0.0235(10) 0.0235(11) 0.0174(10) 0.0059(8) 0.0021(8) 0.0022(8)
C15 0.0141(9) 0.0221(10) 0.0208(10) 0.0049(8) -0.0012(8) -0.0029(8)
C16 0.0171(9) 0.0178(10) 0.0218(11) 0.0054(8) 0.0000(8) -0.0006(8)
C17 0.0239(10) 0.0163(10) 0.0171(10) 0.0024(8) 0.0000(8) -0.0014(8)
C18 0.0158(10) 0.0352(13) 0.0214(11) 0.0053(10) -0.0010(8) -0.0028(9)
N 0.0132(8) 0.0197(8) 0.0169(8) 0.0011(7) 0.0011(6) 0.0055(6)
O1 0.0299(9) 0.0293(9) 0.0326(9) 0.0094(7) 0.0010(7) -0.0102(7)
O2 0.0223(8) 0.0371(9) 0.0328(9) 0.0154(8) -0.0043(7) 0.0059(7)
O3 0.0250(8) 0.0288(9) 0.0249(8) 0.0044(7) 0.0084(7) 0.0005(6)
O4 0.0339(9) 0.0257(8) 0.0351(10) 0.0125(7) -0.0053(7) 0.0089(7)
O5 0.0268(9) 0.0700(14) 0.0190(9) -0.0085(9) 0.0003(7) -0.0038(9)
Si1 0.0148(2) 0.0162(3) 0.0210(3) 0.0068(2) 0.0038(2) 0.0043(2)
Si2 0.0142(2) 0.0209(3) 0.0200(3) 0.0071(2) 0.0041(2) 0.0022(2)
P 0.0111(2) 0.0145(2) 0.0132(2) 0.00257(18) 0.00032(17) 0.00257(17)
S 0.0193(2) 0.0273(3) 0.0151(2) 0.0039(2) 0.00129(19) 0.0050(2)
W 0.01311(4) 0.01461(5) 0.01414(5) 0.00362(3) 0.00014(3) 0.00077(3)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C4 1.511(3) . ?
C1 S 1.824(2) . ?
C1 P 1.8659(19) . ?
C1 H1A 1.0000 . ?
C2 C3 1.339(3) . ?
C2 S 1.768(2) . ?
C2 H2A 0.9500 . ?
C3 C4 1.442(3) . ?
C3 H3A 0.9500 . ?
C4 C5 1.337(3) . ?
C5 N 1.409(2) . ?
C5 H5A 0.9500 . ?
C6 N 1.463(3) . ?
C6 H6C 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6A 0.9800 . ?
C7 P 1.8217(19) . ?
C7 Si1 1.923(2) . ?
C7 Si2 1.9261(19) . ?
C7 H7A 1.0000 . ?
C8 Si1 1.869(2) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 Si1 1.869(2) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 Si1 1.871(2) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 Si2 1.880(2) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 Si2 1.871(2) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 Si2 1.871(2) . ?
C13 H13C 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13A 0.9800 . ?
C14 O1 1.151(3) . ?
C14 W 2.004(2) . ?
C15 O2 1.146(3) . ?
C15 W 2.035(2) . ?
C16 O3 1.140(3) . ?
C16 W 2.062(2) . ?
C17 O4 1.143(3) . ?
C17 W 2.045(2) . ?
C18 O5 1.146(3) . ?
C18 W 2.024(2) . ?
N P 1.7577(17) . ?
P W 2.5431(5) . ?

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
C4 C1 S 105.30(13) . . ?
C4 C1 P 103.97(13) . . ?
S C1 P 123.68(10) . . ?
C4 C1 H1A 107.7 . . ?
S C1 H1A 107.7 . . ?
P C1 H1A 107.7 . . ?
C3 C2 S 115.06(16) . . ?
C3 C2 H2A 122.5 . . ?
S C2 H2A 122.5 . . ?
C2 C3 C4 112.66(18) . . ?
C2 C3 H3A 123.7 . . ?
C4 C3 H3A 123.7 . . ?
C5 C4 C3 134.44(19) . . ?
C5 C4 C1 112.97(17) . . ?
C3 C4 C1 111.96(18) . . ?
C4 C5 N 116.28(18) . . ?
C4 C5 H5A 121.9 . . ?
N C5 H5A 121.9 . . ?
N C6 H6C 109.5 . . ?
N C6 H6B 109.5 . . ?
H6C C6 H6B 109.5 . . ?
N C6 H6A 109.5 . . ?
H6C C6 H6A 109.5 . . ?
H6B C6 H6A 109.5 . . ?
P C7 Si1 113.85(10) . . ?
P C7 Si2 116.59(10) . . ?
Si1 C7 Si2 112.79(10) . . ?
P C7 H7A 103.9 . . ?
Si1 C7 H7A 103.9 . . ?
Si2 C7 H7A 103.9 . . ?
Si1 C8 H8A 109.5 . . ?
Si1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si1 C9 H9A 109.5 . . ?
Si1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si1 C10 H10A 109.5 . . ?
Si1 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si1 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si2 C11 H11A 109.5 . . ?
Si2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si2 C12 H12A 109.5 . . ?
Si2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si2 C13 H13C 109.5 . . ?
Si2 C13 H13B 109.5 . . ?
H13C C13 H13B 109.5 . . ?
Si2 C13 H13A 109.5 . . ?
H13C C13 H13A 109.5 . . ?
H13B C13 H13A 109.5 . . ?
O1 C14 W 178.70(18) . . ?
O2 C15 W 177.29(19) . . ?
O3 C16 W 172.95(17) . . ?
O4 C17 W 176.77(19) . . ?
O5 C18 W 173.84(19) . . ?
C5 N C6 115.55(17) . . ?
C5 N P 109.73(13) . . ?
C6 N P 121.17(13) . . ?
C8 Si1 C9 105.21(10) . . ?
C8 Si1 C10 111.83(10) . . ?
C9 Si1 C10 105.98(10) . . ?
C8 Si1 C7 111.05(9) . . ?
C9 Si1 C7 114.98(9) . . ?
C10 Si1 C7 107.75(10) . . ?
C13 Si2 C12 109.44(10) . . ?
C13 Si2 C11 108.04(11) . . ?
C12 Si2 C11 104.13(11) . . ?
C13 Si2 C7 113.06(9) . . ?
C12 Si2 C7 111.16(9) . . ?
C11 Si2 C7 110.59(9) . . ?
N P C7 106.99(9) . . ?
N P C1 89.59(8) . . ?
C7 P C1 103.89(9) . . ?
N P W 112.54(6) . . ?
C7 P W 118.91(6) . . ?
C1 P W 120.57(6) . . ?
C2 S C1 90.61(10) . . ?
C14 W C18 84.58(9) . . ?
C14 W C15 90.76(8) . . ?
C18 W C15 86.96(9) . . ?
C14 W C17 92.39(8) . . ?
C18 W C17 90.05(9) . . ?
C15 W C17 175.44(8) . . ?
C14 W C16 85.91(8) . . ?
C18 W C16 170.47(8) . . ?
C15 W C16 92.60(8) . . ?
C17 W C16 90.92(8) . . ?
C14 W P 176.99(6) . . ?
C18 W P 93.84(6) . . ?
C15 W P 91.71(6) . . ?
C17 W P 85.05(6) . . ?
C16 W P 95.69(6) . . ?

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
S C2 C3 C4 -1.1(2) . . . . ?
C2 C3 C4 C5 -154.4(2) . . . . ?
C2 C3 C4 C1 15.6(2) . . . . ?
S C1 C4 C5 150.39(15) . . . . ?
P C1 C4 C5 19.1(2) . . . . ?
S C1 C4 C3 -21.88(19) . . . . ?
P C1 C4 C3 -153.22(14) . . . . ?
C3 C4 C5 N 167.9(2) . . . . ?
C1 C4 C5 N -2.0(2) . . . . ?
C4 C5 N C6 -159.02(18) . . . . ?
C4 C5 N P -17.7(2) . . . . ?
P C7 Si1 C8 90.62(12) . . . . ?
Si2 C7 Si1 C8 -45.16(13) . . . . ?
P C7 Si1 C9 -28.68(14) . . . . ?
Si2 C7 Si1 C9 -164.46(10) . . . . ?
P C7 Si1 C10 -146.59(11) . . . . ?
Si2 C7 Si1 C10 77.63(12) . . . . ?
P C7 Si2 C13 -52.83(14) . . . . ?
Si1 C7 Si2 C13 81.67(12) . . . . ?
P C7 Si2 C12 70.72(13) . . . . ?
Si1 C7 Si2 C12 -154.78(10) . . . . ?
P C7 Si2 C11 -174.13(11) . . . . ?
Si1 C7 Si2 C11 -39.63(13) . . . . ?
C5 N P C7 128.41(14) . . . . ?
C6 N P C7 -92.79(17) . . . . ?
C5 N P C1 24.00(14) . . . . ?
C6 N P C1 162.80(16) . . . . ?
C5 N P W -99.22(13) . . . . ?
C6 N P W 39.59(17) . . . . ?
Si1 C7 P N -152.25(9) . . . . ?
Si2 C7 P N -18.23(13) . . . . ?
Si1 C7 P C1 -58.36(12) . . . . ?
Si2 C7 P C1 75.66(12) . . . . ?
Si1 C7 P W 78.96(10) . . . . ?
Si2 C7 P W -147.02(7) . . . . ?
C4 C1 P N -23.74(13) . . . . ?
S C1 P N -143.25(13) . . . . ?
C4 C1 P C7 -131.15(13) . . . . ?
S C1 P C7 109.34(13) . . . . ?
C4 C1 P W 92.43(12) . . . . ?
S C1 P W -27.08(15) . . . . ?
C3 C2 S C1 -10.51(17) . . . . ?
C4 C1 S C2 17.58(14) . . . . ?
P C1 S C2 136.48(13) . . . . ?
N P W C18 -45.83(9) . . . . ?
C7 P W C18 80.36(10) . . . . ?
C1 P W C18 -149.49(10) . . . . ?
N P W C15 -132.90(9) . . . . ?
C7 P W C15 -6.71(10) . . . . ?
C1 P W C15 123.44(10) . . . . ?
N P W C17 43.88(9) . . . . ?
C7 P W C17 170.07(10) . . . . ?
C1 P W C17 -59.78(10) . . . . ?
N P W C16 134.32(9) . . . . ?
C7 P W C16 -99.49(9) . . . . ?
C1 P W C16 30.66(9) . . . . ?

_diffrn_measured_fraction_theta_max 0.986
_diffrn_reflns_theta_full        28.00
_diffrn_measured_fraction_theta_full 0.986
_refine_diff_density_max         0.743
_refine_diff_density_min         -1.157
_refine_diff_density_rms         0.088

#END---------------------------------------------------------------------------