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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 1061059'
_audit_update_record             
;
2015-04-22 deposited with the CCDC.
2015-06-10 downloaded from the CCDC.
;

_audit_creation_method           
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET)
(compiled Jan 12 2007,17:49:11)
;
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H41 N2 O5 P Si3 W'
_chemical_formula_weight         760.70

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'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -5.4734 5.5774 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   Pna21

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

_cell_length_a                   20.7398(2)
_cell_length_b                   9.20180(10)
_cell_length_c                   17.6394(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3366.37(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    7678
_cell_measurement_theta_min      4.2500
_cell_measurement_theta_max      73.0700

_exptl_crystal_description       blocks
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.501
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1528
_exptl_absorpt_coefficient_mu    8.118
_exptl_absorpt_correction_T_min  0.38966
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur S Sapphire'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            12139
_diffrn_reflns_av_R_equivalents  0.0579
_diffrn_reflns_av_sigmaI/netI    0.0490
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         4.26
_diffrn_reflns_theta_max         67.46
_reflns_number_total             5353
_reflns_number_gt                5172
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET)
(compiled Jan 12 2007,17:49:11)
;
_computing_cell_refinement       
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET)
(compiled Jan 12 2007,17:49:11)
;
_computing_data_reduction        
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET)
(compiled Jan 12 2007,17:49:11)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0881P)²+0.0000P] where P=(Fo²+2Fc²)/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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.045(15)
_refine_ls_number_reflns         5353
_refine_ls_number_parameters     355
_refine_ls_number_restraints     20
_refine_ls_R_factor_all          0.0485
_refine_ls_R_factor_gt           0.0468
_refine_ls_wR_factor_ref         0.1210
_refine_ls_wR_factor_gt          0.1188
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_restrained_S_all      1.066
_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
W1 W 0.908679(9) 0.37299(3) -0.00337(4) 0.02139(12) Uani 1 1 d . . .
Si1 Si 0.79549(8) 0.61880(14) -0.14671(10) 0.0170(3) Uani 1 1 d . . .
O5 O 0.9163(3) 0.1359(7) 0.1234(6) 0.0360(18) Uani 1 1 d U . .
O1 O 0.9190(6) 0.1166(8) -0.1240(9) 0.067(3) Uani 1 1 d . . .
C23 C 1.0094(3) 0.3867(8) -0.0005(8) 0.0378(17) Uani 1 1 d . . .
Si2 Si 0.77722(8) 0.76793(18) -0.25408(10) 0.0263(3) Uani 1 1 d . . .
P1 P 0.89225(7) 0.55525(17) -0.11632(10) 0.0216(3) Uani 1 1 d . . .
O2 O 1.0615(3) 0.3934(7) 0.0046(6) 0.0533(17) Uani 1 1 d . . .
C26 C 0.9145(3) 0.2229(10) 0.0785(5) 0.0260(16) Uani 1 1 d U . .
C22 C 0.9144(4) 0.2093(11) -0.0804(6) 0.042(2) Uani 1 1 d . . .
C8 C 0.7495(3) 0.8106(6) -0.0138(4) 0.0270(13) Uani 1 1 d . . .
N2 N 0.7220(2) 0.5067(5) -0.1380(3) 0.0208(10) Uani 1 1 d . . .
N1 N 0.7468(2) 0.6896(5) -0.0688(3) 0.0198(10) Uani 1 1 d . . .
C25 C 0.8103(4) 0.3634(8) 0.0139(6) 0.045(3) Uani 1 1 d . . .
C1 C 0.7000(3) 0.5934(7) -0.0838(4) 0.0222(11) Uani 1 1 d . . .
O3 O 0.9137(4) 0.6292(10) 0.1165(6) 0.068(3) Uani 1 1 d . . .
C2 C 0.6336(3) 0.5907(8) -0.0485(4) 0.0278(13) Uani 1 1 d . . .
C12 C 0.6922(3) 0.3791(6) -0.1761(5) 0.0271(15) Uani 1 1 d . . .
O4 O 0.7592(3) 0.3557(10) 0.0249(5) 0.085(3) Uani 1 1 d . . .
C7 C 0.5831(3) 0.6602(10) -0.0869(6) 0.0404(18) Uani 1 1 d . . .
H7 H 0.5909 0.7060 -0.1343 0.048 Uiso 1 1 calc R . .
C24 C 0.9111(3) 0.5418(10) 0.0719(6) 0.0327(19) Uani 1 1 d . . .
C9 C 0.8138(6) 0.8884(12) -0.0281(8) 0.083(5) Uani 1 1 d . . .
H9A H 0.8480 0.8161 -0.0354 0.124 Uiso 1 1 calc R . .
H9B H 0.8243 0.9498 0.0155 0.124 Uiso 1 1 calc R . .
H9C H 0.8102 0.9488 -0.0736 0.124 Uiso 1 1 calc R . .
C11 C 0.6929(6) 0.9148(11) -0.0214(7) 0.068(3) Uani 1 1 d . . .
H11A H 0.6960 0.9664 -0.0699 0.102 Uiso 1 1 calc R . .
H11B H 0.6940 0.9852 0.0203 0.102 Uiso 1 1 calc R . .
H11C H 0.6524 0.8601 -0.0196 0.102 Uiso 1 1 calc R . .
C16 C 0.8320(4) 0.9319(8) -0.2535(5) 0.0430(18) Uani 1 1 d . . .
H16A H 0.8760 0.9014 -0.2412 0.065 Uiso 1 1 calc R . .
H16B H 0.8169 1.0015 -0.2154 0.065 Uiso 1 1 calc R . .
H16C H 0.8315 0.9778 -0.3036 0.065 Uiso 1 1 calc R . .
C18 C 0.6915(4) 0.8378(9) -0.2518(5) 0.0372(15) Uani 1 1 d . . .
H18A H 0.6844 0.9032 -0.2949 0.056 Uiso 1 1 calc R . .
H18B H 0.6841 0.8907 -0.2044 0.056 Uiso 1 1 calc R . .
H18C H 0.6615 0.7557 -0.2551 0.056 Uiso 1 1 calc R . .
C14 C 0.6455(5) 0.4274(10) -0.2370(7) 0.063(3) Uani 1 1 d . . .
H14A H 0.6061 0.4649 -0.2133 0.094 Uiso 1 1 calc R . .
H14B H 0.6347 0.3445 -0.2696 0.094 Uiso 1 1 calc R . .
H14C H 0.6654 0.5041 -0.2677 0.094 Uiso 1 1 calc R . .
C17 C 0.7891(5) 0.6543(9) -0.3417(5) 0.0428(18) Uani 1 1 d . . .
H17A H 0.7512 0.5923 -0.3494 0.064 Uiso 1 1 calc R . .
H17B H 0.8274 0.5933 -0.3355 0.064 Uiso 1 1 calc R . .
H17C H 0.7947 0.7180 -0.3857 0.064 Uiso 1 1 calc R . .
C15 C 0.6596(5) 0.2786(10) -0.1209(6) 0.056(2) Uani 1 1 d . . .
H15A H 0.6913 0.2433 -0.0840 0.085 Uiso 1 1 calc R . .
H15B H 0.6411 0.1959 -0.1483 0.085 Uiso 1 1 calc R . .
H15C H 0.6252 0.3311 -0.0944 0.085 Uiso 1 1 calc R . .
C3 C 0.6218(3) 0.5226(8) 0.0193(4) 0.0367(16) Uani 1 1 d . . .
H3 H 0.6558 0.4740 0.0448 0.044 Uiso 1 1 calc R . .
C10 C 0.7494(5) 0.7505(11) 0.0678(5) 0.051(2) Uani 1 1 d . . .
H10A H 0.7061 0.7153 0.0805 0.077 Uiso 1 1 calc R . .
H10B H 0.7617 0.8278 0.1032 0.077 Uiso 1 1 calc R . .
H10C H 0.7802 0.6702 0.0716 0.077 Uiso 1 1 calc R . .
Si3 Si 0.94748(8) 0.5032(2) -0.22290(10) 0.0285(4) Uani 1 1 d . . .
C5 C 0.5113(3) 0.5939(9) 0.0135(6) 0.041(2) Uani 1 1 d . . .
H5 H 0.4694 0.5955 0.0353 0.050 Uiso 1 1 calc R . .
C13 C 0.7485(4) 0.3012(8) -0.2151(6) 0.0455(19) Uani 1 1 d . . .
H13A H 0.7728 0.3711 -0.2458 0.068 Uiso 1 1 calc R . .
H13B H 0.7318 0.2238 -0.2478 0.068 Uiso 1 1 calc R . .
H13C H 0.7770 0.2590 -0.1766 0.068 Uiso 1 1 calc R . .
C4 C 0.5604(3) 0.5241(10) 0.0509(5) 0.046(2) Uani 1 1 d . . .
H4 H 0.5525 0.4773 0.0980 0.055 Uiso 1 1 calc R . .
C6 C 0.5215(4) 0.6619(11) -0.0554(7) 0.050(2) Uani 1 1 d . . .
H6 H 0.4870 0.7091 -0.0809 0.061 Uiso 1 1 calc R . .
C19 C 1.0286(3) 0.4444(9) -0.1878(5) 0.0422(18) Uani 1 1 d . . .
H19A H 1.0575 0.4292 -0.2311 0.063 Uiso 1 1 calc R . .
H19B H 1.0243 0.3535 -0.1593 0.063 Uiso 1 1 calc R . .
H19C H 1.0465 0.5198 -0.1547 0.063 Uiso 1 1 calc R . .
C21 C 0.9155(4) 0.3520(10) -0.2855(6) 0.041(2) Uani 1 1 d . . .
H21A H 0.9456 0.3352 -0.3275 0.062 Uiso 1 1 calc R . .
H21B H 0.8733 0.3797 -0.3057 0.062 Uiso 1 1 calc R . .
H21C H 0.9112 0.2628 -0.2556 0.062 Uiso 1 1 calc R . .
C20 C 0.9619(4) 0.6676(10) -0.2836(5) 0.0482(19) Uani 1 1 d . . .
H20A H 0.9673 0.7532 -0.2512 0.072 Uiso 1 1 calc R . .
H20B H 0.9250 0.6823 -0.3174 0.072 Uiso 1 1 calc R . .
H20C H 1.0010 0.6530 -0.3140 0.072 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W1 C26 2.002(9) . ?
W1 C22 2.032(10) . ?
W1 C24 2.045(8) . ?
W1 C25 2.065(9) . ?
W1 C23 2.093(6) . ?
W1 P1 2.6265(18) . ?
Si1 N1 1.826(5) . ?
Si1 N2 1.848(5) . ?
Si1 P1 2.158(2) . ?
Si1 C1 2.283(6) . ?
Si1 Si2 2.369(2) . ?
O5 C26 1.128(12) . ?
O1 C22 1.152(16) . ?
C23 O2 1.086(9) . ?
Si2 C17 1.882(8) . ?
Si2 C16 1.888(8) . ?
Si2 C18 1.891(8) . ?
P1 Si3 2.253(2) . ?
C8 N1 1.478(8) . ?
C8 C11 1.521(10) . ?
C8 C9 1.536(10) . ?
C8 C10 1.542(12) . ?
N2 C1 1.326(8) . ?
N2 C12 1.487(7) . ?
N1 C1 1.340(8) . ?
C25 O4 1.079(12) . ?
C1 C2 1.510(8) . ?
O3 C24 1.125(13) . ?
C2 C3 1.372(10) . ?
C2 C7 1.402(11) . ?
C12 C15 1.504(11) . ?
C12 C14 1.514(11) . ?
C12 C13 1.533(10) . ?
C7 C6 1.394(11) . ?
C3 C4 1.390(10) . ?
Si3 C19 1.873(7) . ?
Si3 C20 1.877(8) . ?
Si3 C21 1.896(9) . ?
C5 C4 1.374(12) . ?
C5 C6 1.383(15) . ?

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
C26 W1 C22 88.2(3) . . ?
C26 W1 C24 93.1(5) . . ?
C22 W1 C24 175.0(3) . . ?
C26 W1 C25 85.6(3) . . ?
C22 W1 C25 97.1(4) . . ?
C24 W1 C25 87.8(3) . . ?
C26 W1 C23 87.9(4) . . ?
C22 W1 C23 90.2(4) . . ?
C24 W1 C23 85.0(3) . . ?
C25 W1 C23 170.1(5) . . ?
C26 W1 P1 174.6(2) . . ?
C22 W1 P1 88.5(3) . . ?
C24 W1 P1 90.6(3) . . ?
C25 W1 P1 90.6(2) . . ?
C23 W1 P1 96.3(4) . . ?
N1 Si1 N2 71.3(2) . . ?
N1 Si1 P1 115.10(18) . . ?
N2 Si1 P1 126.54(16) . . ?
N1 Si1 C1 35.9(2) . . ?
N2 Si1 C1 35.5(2) . . ?
P1 Si1 C1 131.20(17) . . ?
N1 Si1 Si2 107.85(17) . . ?
N2 Si1 Si2 104.97(18) . . ?
P1 Si1 Si2 120.28(9) . . ?
C1 Si1 Si2 107.99(17) . . ?
O2 C23 W1 176.7(13) . . ?
C17 Si2 C16 111.7(4) . . ?
C17 Si2 C18 109.2(4) . . ?
C16 Si2 C18 107.1(4) . . ?
C17 Si2 Si1 108.3(3) . . ?
C16 Si2 Si1 111.2(3) . . ?
C18 Si2 Si1 109.3(3) . . ?
Si1 P1 Si3 108.85(10) . . ?
Si1 P1 W1 118.82(8) . . ?
Si3 P1 W1 115.55(8) . . ?
O5 C26 W1 177.8(8) . . ?
O1 C22 W1 178.5(9) . . ?
N1 C8 C11 112.8(6) . . ?
N1 C8 C9 106.0(6) . . ?
C11 C8 C9 111.2(8) . . ?
N1 C8 C10 110.0(6) . . ?
C11 C8 C10 107.9(7) . . ?
C9 C8 C10 108.8(8) . . ?
C1 N2 C12 131.2(5) . . ?
C1 N2 Si1 90.5(4) . . ?
C12 N2 Si1 138.2(5) . . ?
C1 N1 C8 130.9(5) . . ?
C1 N1 Si1 90.9(4) . . ?
C8 N1 Si1 137.9(4) . . ?
O4 C25 W1 177.7(8) . . ?
N2 C1 N1 106.9(5) . . ?
N2 C1 C2 126.9(6) . . ?
N1 C1 C2 126.1(6) . . ?
N2 C1 Si1 54.0(3) . . ?
N1 C1 Si1 53.1(3) . . ?
C2 C1 Si1 173.1(5) . . ?
C3 C2 C7 119.7(7) . . ?
C3 C2 C1 122.0(6) . . ?
C7 C2 C1 118.2(7) . . ?
N2 C12 C15 112.3(7) . . ?
N2 C12 C14 110.8(5) . . ?
C15 C12 C14 110.6(8) . . ?
N2 C12 C13 104.8(5) . . ?
C15 C12 C13 110.2(7) . . ?
C14 C12 C13 107.9(8) . . ?
C6 C7 C2 119.8(9) . . ?
O3 C24 W1 176.0(9) . . ?
C2 C3 C4 120.7(7) . . ?
C19 Si3 C20 106.1(4) . . ?
C19 Si3 C21 107.1(4) . . ?
C20 Si3 C21 108.4(5) . . ?
C19 Si3 P1 104.0(3) . . ?
C20 Si3 P1 112.7(3) . . ?
C21 Si3 P1 117.7(3) . . ?
C4 C5 C6 121.3(7) . . ?
C5 C4 C3 119.4(8) . . ?
C5 C6 C7 119.1(8) . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        67.46
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         2.471
_refine_diff_density_min         -1.315
_refine_diff_density_rms         0.184
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: hexane'
_chemical_properties_physical    Air-sensitive
####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 1061060'
_audit_update_record             
;
2015-04-22 deposited with the CCDC.
2015-06-10 downloaded from the CCDC.
;

_audit_creation_method           
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C52 H82 N4 O10 P2 Si6 W2'
_chemical_formula_weight         1521.40

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'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -5.4734 5.5774 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   I2/a

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

_cell_length_a                   18.8405(3)
_cell_length_b                   10.1491(2)
_cell_length_c                   34.9207(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.3180(10)
_cell_angle_gamma                90.00
_cell_volume                     6671.87(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    8019
_cell_measurement_theta_min      2.6140
_cell_measurement_theta_max      73.5180

_exptl_crystal_description       rod
_exptl_crystal_colour            'light yellow'
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.515
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3056
_exptl_absorpt_coefficient_mu    8.192
_exptl_absorpt_correction_T_min  0.30382
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Atlas'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            12545
_diffrn_reflns_av_R_equivalents  0.0238
_diffrn_reflns_av_sigmaI/netI    0.0280
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_theta_min         2.53
_diffrn_reflns_theta_max         67.49
_reflns_number_total             5992
_reflns_number_gt                5488
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0362P)²+23.2160P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5992
_refine_ls_number_parameters     542
_refine_ls_number_restraints     118
_refine_ls_R_factor_all          0.0397
_refine_ls_R_factor_gt           0.0361
_refine_ls_wR_factor_ref         0.0881
_refine_ls_wR_factor_gt          0.0854
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.002
_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 0.83434(6) 0.70399(10) 0.37516(3) 0.0333(2) Uani 1 1 d . . .
C1 C 0.9454(2) 0.7364(4) 0.40503(10) 0.0334(8) Uani 1 1 d . A .
C2 C 1.0104(2) 0.7669(4) 0.42942(11) 0.0357(8) Uani 1 1 d . . .
C3 C 1.0774(2) 0.7422(5) 0.41660(14) 0.0498(11) Uani 1 1 d . A .
H3 H 1.0828 0.7054 0.3919 0.060 Uiso 1 1 calc R . .
C4 C 1.1372(3) 0.7711(6) 0.43997(17) 0.0634(14) Uani 1 1 d . . .
H4 H 1.1834 0.7547 0.4311 0.076 Uiso 1 1 calc R A .
C5 C 1.1290(3) 0.8239(5) 0.47611(15) 0.0611(14) Uani 1 1 d . A .
H5 H 1.1697 0.8438 0.4920 0.073 Uiso 1 1 calc R . .
C6 C 1.0630(3) 0.8473(5) 0.48885(12) 0.0545(12) Uani 1 1 d . . .
H6 H 1.0579 0.8833 0.5137 0.065 Uiso 1 1 calc R A .
N1 N 0.91316(18) 0.8161(3) 0.37923(8) 0.0349(7) Uani 1 1 d . A .
C7 C 1.0029(2) 0.8190(4) 0.46593(11) 0.0400(9) Uani 1 1 d . A .
H7 H 0.9569 0.8352 0.4751 0.048 Uiso 1 1 calc R . .
N2 N 0.90669(18) 0.6271(3) 0.40591(9) 0.0372(7) Uani 1 1 d . A .
C8 C 0.9300(2) 0.9530(4) 0.36773(10) 0.0376(9) Uani 1 1 d . . .
C9 C 0.8900(3) 0.9800(5) 0.33026(15) 0.0669(15) Uani 1 1 d . A .
H9A H 0.9062 0.9191 0.3106 0.100 Uiso 1 1 calc R . .
H9B H 0.8988 1.0709 0.3223 0.100 Uiso 1 1 calc R . .
H9C H 0.8390 0.9675 0.3335 0.100 Uiso 1 1 calc R . .
C10 C 1.0107(3) 0.9730(6) 0.36037(15) 0.0658(14) Uani 1 1 d . A .
H10A H 1.0382 0.9686 0.3848 0.099 Uiso 1 1 calc R . .
H10B H 1.0177 1.0592 0.3485 0.099 Uiso 1 1 calc R . .
H10C H 1.0268 0.9036 0.3432 0.099 Uiso 1 1 calc R . .
C11 C 0.9133(4) 1.0473(5) 0.39865(14) 0.0733(17) Uani 1 1 d . A .
H11A H 0.8636 1.0370 0.4052 0.110 Uiso 1 1 calc R . .
H11B H 0.9213 1.1375 0.3898 0.110 Uiso 1 1 calc R . .
H11C H 0.9442 1.0296 0.4213 0.110 Uiso 1 1 calc R . .
C12 C 0.9150(3) 0.5073(4) 0.43049(12) 0.0471(10) Uani 1 1 d . . .
C13 C 0.9892(3) 0.4492(5) 0.42880(18) 0.0735(17) Uani 1 1 d . A .
H13A H 0.9991 0.4282 0.4022 0.110 Uiso 1 1 calc R . .
H13B H 0.9921 0.3687 0.4443 0.110 Uiso 1 1 calc R . .
H13C H 1.0241 0.5133 0.4389 0.110 Uiso 1 1 calc R . .
C14 C 0.8984(3) 0.5409(5) 0.47169(12) 0.0627(15) Uani 1 1 d . A .
H14A H 0.9348 0.6010 0.4824 0.094 Uiso 1 1 calc R . .
H14B H 0.8981 0.4600 0.4870 0.094 Uiso 1 1 calc R . .
H14C H 0.8518 0.5834 0.4722 0.094 Uiso 1 1 calc R . .
C15 C 0.8608(3) 0.4088(4) 0.41411(12) 0.0496(11) Uani 1 1 d . A .
H15A H 0.8133 0.4483 0.4138 0.074 Uiso 1 1 calc R . .
H15B H 0.8614 0.3293 0.4301 0.074 Uiso 1 1 calc R . .
H15C H 0.8727 0.3854 0.3879 0.074 Uiso 1 1 calc R . .
W1A W 0.71865(16) 0.75535(18) 0.40826(7) 0.0386(4) Uani 0.39 1 d PDU A 1
P1A P 0.8350(5) 0.6357(10) 0.3139(3) 0.061(3) Uani 0.50 1 d PU A 3
O1A O 0.7272(6) 0.5201(14) 0.4681(3) 0.081(3) Uani 0.39 1 d PU A 1
Si2A Si 0.9343(5) 0.5434(9) 0.2940(3) 0.063(3) Uani 0.50 1 d PU A 3
O2A O 0.8102(8) 0.9358(15) 0.4650(4) 0.078(4) Uani 0.39 1 d PDU A 1
Si3A Si 0.74574(13) 0.5185(3) 0.29168(8) 0.0414(5) Uani 0.50 1 d PU A 3
O3A O 0.6883(8) 0.9795(16) 0.3453(3) 0.105(5) Uani 0.39 1 d PU A 1
O4A O 0.6111(5) 0.5530(11) 0.3647(3) 0.069(3) Uani 0.39 1 d P A 1
O5A O 0.5865(13) 0.852(5) 0.4524(10) 0.072(9) Uani 0.39 1 d PDU A 1
C16A C 0.9365(9) 0.3558(14) 0.3059(4) 0.067(4) Uani 0.50 1 d PU A 3
H16A H 0.8906 0.3161 0.2984 0.101 Uiso 0.50 1 calc PR A 3
H16B H 0.9458 0.3437 0.3335 0.101 Uiso 0.50 1 calc PR A 3
H16C H 0.9742 0.3133 0.2918 0.101 Uiso 0.50 1 calc PR A 3
C17A C 0.9467(7) 0.5561(16) 0.2417(4) 0.066(4) Uani 0.50 1 d P A 3
H17A H 0.9399 0.6477 0.2335 0.099 Uiso 0.50 1 calc PR A 3
H17B H 0.9120 0.4998 0.2280 0.099 Uiso 0.50 1 calc PR A 3
H17C H 0.9949 0.5274 0.2360 0.099 Uiso 0.50 1 calc PR A 3
C18A C 1.0167(6) 0.6056(15) 0.3197(4) 0.072(3) Uani 0.50 1 d P A 3
H18A H 1.0554 0.5424 0.3166 0.109 Uiso 0.50 1 calc PR A 3
H18B H 1.0079 0.6163 0.3470 0.109 Uiso 0.50 1 calc PR A 3
H18C H 1.0300 0.6908 0.3089 0.109 Uiso 0.50 1 calc PR A 3
C19A C 0.7647(7) 0.4464(14) 0.2442(3) 0.075(3) Uani 0.50 1 d PU A 3
H19A H 0.8039 0.3834 0.2472 0.113 Uiso 0.50 1 calc PR A 3
H19B H 0.7778 0.5168 0.2266 0.113 Uiso 0.50 1 calc PR A 3
H19C H 0.7222 0.4010 0.2338 0.113 Uiso 0.50 1 calc PR A 3
C20A C 0.6698(6) 0.6308(11) 0.2813(3) 0.062(3) Uani 0.50 1 d PU A 3
H20A H 0.6797 0.6853 0.2590 0.092 Uiso 0.50 1 calc PR A 3
H20B H 0.6629 0.6876 0.3035 0.092 Uiso 0.50 1 calc PR A 3
H20C H 0.6267 0.5788 0.2759 0.092 Uiso 0.50 1 calc PR A 3
C21A C 0.7260(6) 0.3821(10) 0.3256(3) 0.060(3) Uani 0.50 1 d PU A 3
H21A H 0.6836 0.3345 0.3162 0.090 Uiso 0.50 1 calc PR A 3
H21B H 0.7177 0.4189 0.3510 0.090 Uiso 0.50 1 calc PR A 3
H21C H 0.7665 0.3214 0.3274 0.090 Uiso 0.50 1 calc PR A 3
C22A C 0.7249(9) 0.6017(19) 0.4461(4) 0.050(4) Uani 0.39 1 d PU A 1
C23A C 0.7767(12) 0.8798(17) 0.4429(5) 0.057(6) Uani 0.39 1 d PDU A 1
C24A C 0.7005(8) 0.8983(16) 0.3674(3) 0.058(4) Uani 0.39 1 d P A 1
C25A C 0.6505(6) 0.6262(15) 0.3775(3) 0.054(3) Uani 0.39 1 d P A 1
C26A C 0.6298(14) 0.809(3) 0.4338(14) 0.047(7) Uani 0.39 1 d PDU A 1
W1B W 0.71872(10) 0.79185(12) 0.40561(5) 0.0375(2) Uani 0.61 1 d PDU A 2
P1B P 0.8323(4) 0.6346(7) 0.31433(16) 0.038(2) Uani 0.50 1 d PU A 4
O1B O 0.6935(4) 0.5173(7) 0.4461(2) 0.0664(17) Uani 0.61 1 d PU A 2
Si2B Si 0.9319(4) 0.5364(8) 0.2942(2) 0.038(2) Uani 0.50 1 d PU A 4
O2B O 0.8234(4) 0.8843(7) 0.4744(2) 0.0534(18) Uani 0.61 1 d PDU A 2
Si3B Si 0.74818(15) 0.4607(3) 0.30851(8) 0.0462(6) Uani 0.50 1 d PU A 4
O3B O 0.7204(4) 1.0766(8) 0.3691(3) 0.098(3) Uani 0.61 1 d PU A 2
O4B O 0.6250(7) 0.7320(12) 0.3321(3) 0.180(7) Uani 0.61 1 d P A 2
O5B O 0.5807(6) 0.864(3) 0.4491(6) 0.052(4) Uani 0.61 1 d PDU A 2
C16B C 0.9690(10) 0.396(2) 0.3174(5) 0.095(6) Uani 0.50 1 d PU A 4
H16D H 1.0160 0.3780 0.3075 0.143 Uiso 0.50 1 calc PR A 4
H16E H 0.9380 0.3198 0.3126 0.143 Uiso 0.50 1 calc PR A 4
H16F H 0.9737 0.4123 0.3451 0.143 Uiso 0.50 1 calc PR A 4
C17B C 0.9077(9) 0.5099(17) 0.2413(4) 0.083(5) Uani 0.50 1 d P A 4
H17D H 0.9499 0.4810 0.2280 0.125 Uiso 0.50 1 calc PR A 4
H17E H 0.8902 0.5927 0.2299 0.125 Uiso 0.50 1 calc PR A 4
H17F H 0.8707 0.4424 0.2386 0.125 Uiso 0.50 1 calc PR A 4
C18B C 0.9979(7) 0.6738(16) 0.2957(4) 0.085(4) Uani 0.50 1 d P A 4
H18D H 1.0121 0.6932 0.3224 0.127 Uiso 0.50 1 calc PR A 4
H18E H 0.9765 0.7524 0.2838 0.127 Uiso 0.50 1 calc PR A 4
H18F H 1.0397 0.6478 0.2817 0.127 Uiso 0.50 1 calc PR A 4
C19B C 0.6928(6) 0.5106(13) 0.2652(3) 0.071(3) Uani 0.50 1 d PU A 4
H19D H 0.6595 0.4396 0.2582 0.106 Uiso 0.50 1 calc PR A 4
H19E H 0.7237 0.5278 0.2439 0.106 Uiso 0.50 1 calc PR A 4
H19F H 0.6661 0.5907 0.2709 0.106 Uiso 0.50 1 calc PR A 4
C20B C 0.6908(7) 0.4233(12) 0.3494(3) 0.071(4) Uani 0.50 1 d PU A 4
H20D H 0.6551 0.3576 0.3414 0.106 Uiso 0.50 1 calc PR A 4
H20E H 0.6670 0.5040 0.3574 0.106 Uiso 0.50 1 calc PR A 4
H20F H 0.7202 0.3885 0.3709 0.106 Uiso 0.50 1 calc PR A 4
C21B C 0.7910(8) 0.2969(11) 0.3003(4) 0.075(3) Uani 0.50 1 d P A 4
H21D H 0.8094 0.2612 0.3248 0.112 Uiso 0.50 1 calc PR A 4
H21E H 0.8302 0.3079 0.2829 0.112 Uiso 0.50 1 calc PR A 4
H21F H 0.7558 0.2360 0.2888 0.112 Uiso 0.50 1 calc PR A 4
C22B C 0.7054(5) 0.6147(10) 0.4304(3) 0.045(2) Uani 0.61 1 d PU A 2
C23B C 0.7866(6) 0.8484(9) 0.4502(3) 0.031(2) Uani 0.61 1 d PDU A 2
C24B C 0.7220(5) 0.9740(10) 0.3822(3) 0.058(2) Uani 0.61 1 d P A 2
C25B C 0.6612(7) 0.7495(13) 0.3589(3) 0.092(4) Uani 0.61 1 d P A 2
C26B C 0.6339(9) 0.8460(18) 0.4348(8) 0.035(3) Uani 0.61 1 d PDU A 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 1.871(3) . ?
Si1 N1 1.872(3) . ?
Si1 P1B 2.237(6) . ?
Si1 P1A 2.249(9) . ?
Si1 C1 2.323(4) . ?
Si1 W1A 2.562(3) . ?
Si1 W1B 2.619(2) . ?
C1 N2 1.329(5) . ?
C1 N1 1.338(5) . ?
C1 C2 1.496(5) . ?
C2 C3 1.379(6) . ?
C2 C7 1.393(5) . ?
C3 C4 1.396(7) . ?
C4 C5 1.385(8) . ?
C5 C6 1.358(8) . ?
C6 C7 1.391(6) . ?
N1 C8 1.484(5) . ?
N2 C12 1.493(5) . ?
C8 C11 1.486(6) . ?
C8 C9 1.508(6) . ?
C8 C10 1.566(7) . ?
C12 C13 1.519(7) . ?
C12 C14 1.523(6) . ?
C12 C15 1.524(6) . ?
W1A C26A 2.002(9) . ?
W1A C23A 2.036(9) . ?
W1A C22A 2.045(17) . ?
W1A C24A 2.053(14) . ?
W1A C25A 2.099(13) . ?
P1A Si3A 2.177(10) . ?
P1A Si2A 2.228(13) . ?
O1A C22A 1.13(2) . ?
Si2A C17A 1.856(16) . ?
Si2A C18A 1.871(15) . ?
Si2A C16A 1.948(17) . ?
O2A C23A 1.130(10) . ?
Si3A C20A 1.853(10) . ?
Si3A C19A 1.860(10) . ?
Si3A C21A 1.868(11) . ?
O3A C24A 1.147(17) . ?
O4A C25A 1.131(15) . ?
O5A C26A 1.151(11) . ?
W1B C25B 1.969(9) . ?
W1B C26B 2.006(7) . ?
W1B C22B 2.015(10) . ?
W1B C24B 2.023(9) . ?
W1B C23B 2.057(7) . ?
P1B Si2B 2.260(10) . ?
P1B Si3B 2.375(9) . ?
O1B C22B 1.157(13) . ?
Si2B C16B 1.77(2) . ?
Si2B C18B 1.868(15) . ?
Si2B C17B 1.906(15) . ?
O2B C23B 1.132(8) . ?
Si3B C20B 1.864(11) . ?
Si3B C19B 1.872(10) . ?
Si3B C21B 1.875(12) . ?
O3B C24B 1.137(11) . ?
O4B C25B 1.148(12) . ?
O5B C26B 1.152(9) . ?

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 69.69(14) . . ?
N2 Si1 P1B 113.42(19) . . ?
N1 Si1 P1B 104.3(2) . . ?
N2 Si1 P1A 112.7(3) . . ?
N1 Si1 P1A 103.0(3) . . ?
P1B Si1 P1A 1.4(5) . . ?
N2 Si1 C1 34.87(14) . . ?
N1 Si1 C1 35.17(13) . . ?
P1B Si1 C1 116.8(2) . . ?
P1A Si1 C1 115.5(3) . . ?
N2 Si1 W1A 116.05(12) . . ?
N1 Si1 W1A 121.93(12) . . ?
P1B Si1 W1A 120.7(2) . . ?
P1A Si1 W1A 122.0(3) . . ?
C1 Si1 W1A 122.40(11) . . ?
N2 Si1 W1B 120.49(12) . . ?
N1 Si1 W1B 115.62(12) . . ?
P1B Si1 W1B 120.69(19) . . ?
P1A Si1 W1B 121.9(2) . . ?
C1 Si1 W1B 121.21(10) . . ?
W1A Si1 W1B 8.36(6) . . ?
N2 C1 N1 106.6(3) . . ?
N2 C1 C2 126.7(3) . . ?
N1 C1 C2 126.6(4) . . ?
N2 C1 Si1 53.64(19) . . ?
N1 C1 Si1 53.7(2) . . ?
C2 C1 Si1 170.7(3) . . ?
C3 C2 C7 119.6(4) . . ?
C3 C2 C1 121.1(4) . . ?
C7 C2 C1 119.2(4) . . ?
C2 C3 C4 120.0(4) . . ?
C5 C4 C3 119.8(5) . . ?
C6 C5 C4 120.2(4) . . ?
C5 C6 C7 120.7(4) . . ?
C1 N1 C8 130.7(3) . . ?
C1 N1 Si1 91.2(2) . . ?
C8 N1 Si1 136.6(3) . . ?
C6 C7 C2 119.6(4) . . ?
C1 N2 C12 130.4(3) . . ?
C1 N2 Si1 91.5(2) . . ?
C12 N2 Si1 136.6(3) . . ?
N1 C8 C11 110.6(3) . . ?
N1 C8 C9 107.5(3) . . ?
C11 C8 C9 113.6(4) . . ?
N1 C8 C10 112.7(4) . . ?
C11 C8 C10 105.7(4) . . ?
C9 C8 C10 106.8(4) . . ?
N2 C12 C13 111.7(4) . . ?
N2 C12 C14 109.8(4) . . ?
C13 C12 C14 110.3(4) . . ?
N2 C12 C15 105.4(3) . . ?
C13 C12 C15 109.6(4) . . ?
C14 C12 C15 110.0(4) . . ?
C26A W1A C23A 90.4(13) . . ?
C26A W1A C22A 86.9(14) . . ?
C23A W1A C22A 94.2(8) . . ?
C26A W1A C24A 90.0(15) . . ?
C23A W1A C24A 92.5(7) . . ?
C22A W1A C24A 172.6(7) . . ?
C26A W1A C25A 83.7(11) . . ?
C23A W1A C25A 173.5(8) . . ?
C22A W1A C25A 82.7(7) . . ?
C24A W1A C25A 90.3(6) . . ?
C26A W1A Si1 176.1(9) . . ?
C23A W1A Si1 87.0(7) . . ?
C22A W1A Si1 96.2(4) . . ?
C24A W1A Si1 87.2(4) . . ?
C25A W1A Si1 99.0(3) . . ?
Si3A P1A Si2A 107.8(4) . . ?
Si3A P1A Si1 118.2(5) . . ?
Si2A P1A Si1 117.6(5) . . ?
C17A Si2A C18A 108.2(8) . . ?
C17A Si2A C16A 106.0(8) . . ?
C18A Si2A C16A 102.6(8) . . ?
C17A Si2A P1A 114.7(7) . . ?
C18A Si2A P1A 113.6(6) . . ?
C16A Si2A P1A 110.8(7) . . ?
C20A Si3A C19A 104.0(6) . . ?
C20A Si3A C21A 114.1(5) . . ?
C19A Si3A C21A 108.9(6) . . ?
C20A Si3A P1A 108.2(4) . . ?
C19A Si3A P1A 111.1(5) . . ?
C21A Si3A P1A 110.5(4) . . ?
O1A C22A W1A 177.2(15) . . ?
O2A C23A W1A 171.5(19) . . ?
O3A C24A W1A 177.5(12) . . ?
O4A C25A W1A 172.6(11) . . ?
O5A C26A W1A 168(4) . . ?
C25B W1B C26B 93.3(9) . . ?
C25B W1B C22B 95.0(5) . . ?
C26B W1B C22B 84.9(7) . . ?
C25B W1B C24B 83.6(5) . . ?
C26B W1B C24B 89.6(7) . . ?
C22B W1B C24B 174.2(4) . . ?
C25B W1B C23B 173.1(6) . . ?
C26B W1B C23B 91.4(9) . . ?
C22B W1B C23B 90.5(4) . . ?
C24B W1B C23B 91.3(4) . . ?
C25B W1B Si1 91.6(3) . . ?
C26B W1B Si1 172.8(9) . . ?
C22B W1B Si1 89.5(3) . . ?
C24B W1B Si1 96.2(2) . . ?
C23B W1B Si1 84.3(4) . . ?
Si1 P1B Si2B 116.8(3) . . ?
Si1 P1B Si3B 107.5(3) . . ?
Si2B P1B Si3B 101.8(3) . . ?
C16B Si2B C18B 109.7(9) . . ?
C16B Si2B C17B 113.9(9) . . ?
C18B Si2B C17B 105.4(8) . . ?
C16B Si2B P1B 122.0(8) . . ?
C18B Si2B P1B 102.8(6) . . ?
C17B Si2B P1B 101.3(6) . . ?
C20B Si3B C19B 110.6(6) . . ?
C20B Si3B C21B 101.7(6) . . ?
C19B Si3B C21B 110.2(6) . . ?
C20B Si3B P1B 119.5(4) . . ?
C19B Si3B P1B 102.5(4) . . ?
C21B Si3B P1B 112.5(5) . . ?
O1B C22B W1B 174.7(9) . . ?
O2B C23B W1B 177.4(9) . . ?
O3B C24B W1B 176.7(8) . . ?
O4B C25B W1B 175.5(9) . . ?
O5B C26B W1B 171.3(19) . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        67.49
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.286
_refine_diff_density_min         -0.781
_refine_diff_density_rms         0.079
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: hexane'
_chemical_properties_physical    Air-sensitive
