# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 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
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# 
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#  data retrieval see:
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data_2468

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C21 H37 F N O6 P Si2 W'
_chemical_formula_sum            'C21 H37 F N O6 P Si2 W'
_chemical_formula_weight         689.52

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'
F F 0.0171 0.0103 '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'
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                   13.1797(3)
_cell_length_b                   14.2791(3)
_cell_length_c                   15.1502(3)
_cell_angle_alpha                96.4947(11)
_cell_angle_beta                 90.2543(11)
_cell_angle_gamma                93.9588(11)
_cell_volume                     2825.91(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    23726
_cell_measurement_theta_min      1.00
_cell_measurement_theta_max      29.13

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.621
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1376
_exptl_absorpt_coefficient_mu    4.269
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_correction_T_min  0.2800
_exptl_absorpt_correction_T_max  0.4822
_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 κ-goniostat'
_diffrn_detector_area_resol_mean 9
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            34076
_diffrn_reflns_av_R_equivalents  0.0404
_diffrn_reflns_av_sigmaI/netI    0.0399
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.04
_diffrn_reflns_theta_max         27.00
_reflns_number_total             12234
_reflns_number_gt                10604
_reflns_threshold_expression     I>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 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)+(0.0284P)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    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         12234
_refine_ls_number_parameters     615
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.0290
_refine_ls_R_factor_gt           0.0235
_refine_ls_wR_factor_ref         0.0574
_refine_ls_wR_factor_gt          0.0557
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_restrained_S_all      1.005
_refine_ls_shift/su_max          0.028
_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
C1 C -0.7366(2) 0.36643(17) 0.51562(16) 0.0162(5) Uani 1 1 d . . .
H1A H -0.6778 0.4148 0.5237 0.019 Uiso 1 1 calc R . .
C2 C -0.9463(2) 0.3343(3) 0.6116(2) 0.0425(9) Uani 1 1 d . . .
H2A H -0.9274 0.2715 0.6228 0.051 Uiso 1 1 calc R . .
H2B H -0.9851 0.3293 0.5557 0.051 Uiso 1 1 calc R . .
H2C H -0.9881 0.3605 0.6605 0.051 Uiso 1 1 calc R . .
C3 C -0.7632(3) 0.4387(2) 0.71334(19) 0.0364(8) Uani 1 1 d . . .
H3A H -0.6982 0.4745 0.7062 0.044 Uiso 1 1 calc R . .
H3B H -0.7508 0.3791 0.7366 0.044 Uiso 1 1 calc R . .
H3C H -0.8056 0.4759 0.7550 0.044 Uiso 1 1 calc R . .
C4 C -0.8706(3) 0.5301(2) 0.5790(2) 0.0442(10) Uani 1 1 d . . .
H4A H -0.9127 0.5217 0.5248 0.053 Uiso 1 1 calc R . .
H4B H -0.8104 0.5723 0.5705 0.053 Uiso 1 1 calc R . .
H4C H -0.9101 0.5579 0.6288 0.053 Uiso 1 1 calc R . .
C5 C -0.9047(2) 0.3076(2) 0.3711(2) 0.0402(9) Uani 1 1 d . . .
H5A H -0.9565 0.3363 0.4094 0.048 Uiso 1 1 calc R . .
H5B H -0.9000 0.2418 0.3823 0.048 Uiso 1 1 calc R . .
H5C H -0.9234 0.3096 0.3087 0.048 Uiso 1 1 calc R . .
C6 C -0.6881(3) 0.3290(2) 0.31053(19) 0.0351(8) Uani 1 1 d . . .
H6A H -0.6835 0.2611 0.3122 0.042 Uiso 1 1 calc R . .
H6B H -0.6210 0.3619 0.3234 0.042 Uiso 1 1 calc R . .
H6C H -0.7112 0.3406 0.2514 0.042 Uiso 1 1 calc R . .
C7 C -0.7893(3) 0.5012(2) 0.3772(2) 0.0523(11) Uani 1 1 d . . .
H7C H -0.7797 0.5083 0.3141 0.063 Uiso 1 1 calc R . .
H7B H -0.7366 0.5405 0.4126 0.063 Uiso 1 1 calc R . .
H7A H -0.8565 0.5212 0.3955 0.063 Uiso 1 1 calc R . .
C8 C -0.7727(2) 0.04632(18) 0.61656(18) 0.0208(6) Uani 1 1 d . . .
C9 C -0.7349(2) -0.03303(19) 0.66584(19) 0.0275(7) Uani 1 1 d . . .
H9A H -0.7808 -0.0906 0.6509 0.033 Uiso 1 1 calc R . .
H9B H -0.6664 -0.0474 0.6439 0.033 Uiso 1 1 calc R . .
C10 C -0.7291(3) -0.01093(19) 0.76611(19) 0.0310(7) Uani 1 1 d . . .
H10A H -0.7977 -0.0013 0.7902 0.037 Uiso 1 1 calc R . .
H10B H -0.7014 -0.0640 0.7930 0.037 Uiso 1 1 calc R . .
C11 C -0.6600(2) 0.07813(19) 0.78749(18) 0.0258(6) Uani 1 1 d . . .
H11A H -0.5906 0.0654 0.7669 0.031 Uiso 1 1 calc R . .
H11B H -0.6565 0.0944 0.8528 0.031 Uiso 1 1 calc R . .
C12 C -0.6949(2) 0.16345(18) 0.74488(16) 0.0178(6) Uani 1 1 d . . .
C13 C -0.8867(2) 0.0560(2) 0.6311(2) 0.0312(7) Uani 1 1 d . . .
H13A H -0.9012 0.0583 0.6946 0.037 Uiso 1 1 calc R . .
H13B H -0.9254 0.0017 0.5987 0.037 Uiso 1 1 calc R . .
H13C H -0.9062 0.1143 0.6092 0.037 Uiso 1 1 calc R . .
C14 C -0.7561(3) 0.01725(19) 0.51737(18) 0.0283(7) Uani 1 1 d . . .
H14A H -0.7818 -0.0486 0.5019 0.034 Uiso 1 1 calc R . .
H14B H -0.6833 0.0238 0.5046 0.034 Uiso 1 1 calc R . .
H14C H -0.7927 0.0580 0.4823 0.034 Uiso 1 1 calc R . .
C15 C -0.6092(2) 0.24088(18) 0.76002(17) 0.0221(6) Uani 1 1 d . . .
H15A H -0.5456 0.2164 0.7372 0.027 Uiso 1 1 calc R . .
H15B H -0.6015 0.2615 0.8238 0.027 Uiso 1 1 calc R . .
H15C H -0.6254 0.2946 0.7288 0.027 Uiso 1 1 calc R . .
C16 C -0.7928(2) 0.1980(2) 0.78935(18) 0.0253(6) Uani 1 1 d . . .
H16A H -0.7755 0.2346 0.8468 0.030 Uiso 1 1 calc R . .
H16B H -0.8392 0.1434 0.7986 0.030 Uiso 1 1 calc R . .
H16C H -0.8259 0.2379 0.7510 0.030 Uiso 1 1 calc R . .
C17 C -0.3372(2) 0.24775(18) 0.49929(19) 0.0225(6) Uani 1 1 d U . .
C18 C -0.5130(2) 0.17406(18) 0.39282(17) 0.0192(6) Uani 1 1 d U . .
C19 C -0.4757(2) 0.37290(19) 0.45114(18) 0.0202(6) Uani 1 1 d U . .
C20 C -0.4629(2) 0.34232(19) 0.62893(17) 0.0223(6) Uani 1 1 d U . .
C21 C -0.4862(2) 0.13106(19) 0.57318(17) 0.0190(5) Uani 1 1 d U . .
C22 C -0.2621(2) 0.33916(17) 0.05973(16) 0.0156(5) Uani 1 1 d . . .
H22A H -0.2145 0.3817 0.1004 0.019 Uiso 1 1 calc R . .
C23 C -0.4587(2) 0.4036(2) 0.1617(2) 0.0354(8) Uani 1 1 d . . .
H23A H -0.4901 0.4168 0.1061 0.042 Uiso 1 1 calc R . .
H23B H -0.4201 0.4607 0.1893 0.042 Uiso 1 1 calc R . .
H23C H -0.5118 0.3842 0.2023 0.042 Uiso 1 1 calc R . .
C24 C -0.3131(3) 0.2880(2) 0.24698(18) 0.0335(8) Uani 1 1 d . . .
H24A H -0.2680 0.3434 0.2686 0.040 Uiso 1 1 calc R . .
H24B H -0.2739 0.2318 0.2393 0.040 Uiso 1 1 calc R . .
H24C H -0.3671 0.2791 0.2901 0.040 Uiso 1 1 calc R . .
C25 C -0.4541(2) 0.2017(2) 0.0907(2) 0.0343(7) Uani 1 1 d . . .
H25A H -0.4155 0.1451 0.0872 0.041 Uiso 1 1 calc R . .
H25B H -0.4773 0.2112 0.0310 0.041 Uiso 1 1 calc R . .
H25C H -0.5131 0.1936 0.1289 0.041 Uiso 1 1 calc R . .
C26 C -0.4185(2) 0.3692(2) -0.0843(2) 0.0298(7) Uani 1 1 d . . .
H26A H -0.4750 0.3696 -0.0425 0.036 Uiso 1 1 calc R . .
H26B H -0.4092 0.3040 -0.1094 0.036 Uiso 1 1 calc R . .
H26C H -0.4337 0.4069 -0.1323 0.036 Uiso 1 1 calc R . .
C27 C -0.2005(2) 0.4443(2) -0.1082(2) 0.0319(7) Uani 1 1 d . . .
H27A H -0.2042 0.3928 -0.1569 0.038 Uiso 1 1 calc R . .
H27B H -0.1332 0.4487 -0.0796 0.038 Uiso 1 1 calc R . .
H27C H -0.2117 0.5040 -0.1317 0.038 Uiso 1 1 calc R . .
C28 C -0.3165(2) 0.54003(19) 0.0361(2) 0.0254(6) Uani 1 1 d . . .
H28C H -0.3309 0.5843 -0.0065 0.031 Uiso 1 1 calc R . .
H28B H -0.2541 0.5626 0.0695 0.031 Uiso 1 1 calc R . .
H28A H -0.3733 0.5356 0.0773 0.031 Uiso 1 1 calc R . .
C29 C -0.1862(2) 0.14617(18) -0.21083(16) 0.0198(6) Uani 1 1 d . . .
C30 C -0.1516(2) 0.0591(2) -0.27003(18) 0.0260(6) Uani 1 1 d . . .
H30A H -0.1413 0.0760 -0.3311 0.031 Uiso 1 1 calc R . .
H30B H -0.0853 0.0426 -0.2474 0.031 Uiso 1 1 calc R . .
C31 C -0.2264(2) -0.0269(2) -0.27355(18) 0.0296(7) Uani 1 1 d . . .
H31A H -0.2917 -0.0134 -0.3003 0.036 Uiso 1 1 calc R . .
H31B H -0.1990 -0.0810 -0.3103 0.036 Uiso 1 1 calc R . .
C32 C -0.2429(2) -0.05046(19) -0.17963(18) 0.0263(7) Uani 1 1 d . . .
H32A H -0.1780 -0.0690 -0.1560 0.032 Uiso 1 1 calc R . .
H32B H -0.2929 -0.1056 -0.1811 0.032 Uiso 1 1 calc R . .
C33 C -0.2810(2) 0.03140(18) -0.11530(17) 0.0193(6) Uani 1 1 d . . .
C34 C -0.2764(2) 0.1877(2) -0.25400(18) 0.0268(6) Uani 1 1 d . . .
H34A H -0.3297 0.1374 -0.2706 0.032 Uiso 1 1 calc R . .
H34B H -0.2533 0.2158 -0.3072 0.032 Uiso 1 1 calc R . .
H34C H -0.3037 0.2365 -0.2117 0.032 Uiso 1 1 calc R . .
C35 C -0.0964(2) 0.21979(19) -0.20336(17) 0.0241(6) Uani 1 1 d . . .
H35A H -0.0833 0.2415 -0.2616 0.029 Uiso 1 1 calc R . .
H35B H -0.0360 0.1917 -0.1829 0.029 Uiso 1 1 calc R . .
H35C H -0.1122 0.2736 -0.1607 0.029 Uiso 1 1 calc R . .
C36 C -0.3925(2) 0.04751(19) -0.13672(19) 0.0259(6) Uani 1 1 d . . .
H36A H -0.4376 -0.0004 -0.1125 0.031 Uiso 1 1 calc R . .
H36B H -0.4023 0.0427 -0.2013 0.031 Uiso 1 1 calc R . .
H36C H -0.4084 0.1105 -0.1101 0.031 Uiso 1 1 calc R . .
C37 C -0.2761(2) -0.00078(19) -0.02212(18) 0.0236(6) Uani 1 1 d . . .
H37C H -0.3149 0.0405 0.0192 0.028 Uiso 1 1 calc R . .
H37B H -0.2051 0.0027 -0.0019 0.028 Uiso 1 1 calc R . .
H37A H -0.3052 -0.0660 -0.0241 0.028 Uiso 1 1 calc R . .
C38 C 0.1532(2) 0.26026(18) 0.07444(19) 0.0221(6) Uani 1 1 d . . .
C39 C 0.0351(2) 0.3403(2) -0.04638(19) 0.0232(6) Uani 1 1 d . . .
C40 C -0.0115(2) 0.36852(19) 0.13955(18) 0.0224(6) Uani 1 1 d U . .
C41 C -0.0198(2) 0.17147(19) 0.15226(18) 0.0216(6) Uani 1 1 d U . .
C42 C 0.0186(2) 0.13067(18) -0.03392(17) 0.0202(6) Uani 1 1 d U . .
F1 F -0.73022(12) 0.19263(10) 0.44376(9) 0.0211(3) Uani 1 1 d . . .
F2 F -0.22640(11) 0.16860(10) 0.09217(9) 0.0187(3) Uani 1 1 d . . .
N1 N -0.70295(17) 0.13302(14) 0.64611(13) 0.0157(5) Uani 1 1 d . . .
N2 N -0.20514(16) 0.11504(14) -0.12003(13) 0.0158(5) Uani 1 1 d . . .
O1 O -0.74244(13) 0.21571(11) 0.60671(11) 0.0157(4) Uani 1 1 d . . .
O2 O -0.25131(16) 0.24510(14) 0.49197(15) 0.0341(5) Uani 1 1 d . . .
O3 O -0.52495(17) 0.13290(13) 0.32416(13) 0.0299(5) Uani 1 1 d . . .
O4 O -0.46187(17) 0.43915(13) 0.41648(13) 0.0315(5) Uani 1 1 d . . .
O5 O -0.44491(19) 0.39532(15) 0.68927(13) 0.0384(6) Uani 1 1 d U . .
O6 O -0.47699(15) 0.06238(13) 0.60236(13) 0.0275(5) Uani 1 1 d . . .
O7 O -0.24727(14) 0.19806(12) -0.06546(11) 0.0157(4) Uani 1 1 d . . .
O8 O 0.23942(16) 0.26448(14) 0.08586(15) 0.0344(5) Uani 1 1 d . . .
O9 O 0.05921(17) 0.39099(16) -0.09663(15) 0.0365(5) Uani 1 1 d . . .
O10 O -0.01944(17) 0.43173(14) 0.19235(14) 0.0345(5) Uani 1 1 d . . .
O11 O -0.02991(17) 0.12871(14) 0.21059(13) 0.0319(5) Uani 1 1 d . . .
O12 O 0.03199(15) 0.06202(13) -0.07636(13) 0.0276(5) Uani 1 1 d . . .
P1 P -0.67772(5) 0.25719(4) 0.52689(4) 0.01458(14) Uani 1 1 d . . .
P2 P -0.18606(5) 0.24091(4) 0.02502(4) 0.01400(14) Uani 1 1 d . . .
Si1 Si -0.82991(6) 0.41306(5) 0.60365(5) 0.02427(18) Uani 1 1 d . . .
Si2 Si -0.78025(6) 0.37392(5) 0.39523(5) 0.02363(18) Uani 1 1 d . . .
Si3 Si -0.37107(6) 0.30662(5) 0.13794(5) 0.02378(18) Uani 1 1 d . . .
Si4 Si -0.29989(6) 0.42037(5) -0.02515(5) 0.01852(16) Uani 1 1 d . . .
W1 W -0.488745(8) 0.253672(7) 0.513442(6) 0.01466(4) Uani 1 1 d U . .
W2 W 0.002854(8) 0.253430(7) 0.049532(6) 0.01504(4) Uani 1 1 d U . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 P1 1.814(2) . ?
C1 Si1 1.913(2) . ?
C1 Si2 1.927(3) . ?
C1 H1A 1.0000 . ?
C2 Si1 1.851(4) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 Si1 1.864(3) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 Si1 1.867(3) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 Si2 1.850(3) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 Si2 1.862(3) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 Si2 1.880(3) . ?
C7 H7C 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7A 0.9800 . ?
C8 N1 1.514(3) . ?
C8 C13 1.532(4) . ?
C8 C14 1.534(4) . ?
C8 C9 1.535(4) . ?
C9 C10 1.517(4) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.515(4) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.538(4) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 N1 1.511(3) . ?
C12 C15 1.523(4) . ?
C12 C16 1.544(3) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 O2 1.141(3) . ?
C17 W1 2.016(3) . ?
C18 O3 1.140(3) . ?
C18 W1 2.051(3) . ?
C19 O4 1.137(3) . ?
C19 W1 2.036(3) . ?
C20 O5 1.132(3) . ?
C20 W1 2.053(3) . ?
C21 O6 1.134(3) . ?
C21 W1 2.062(3) . ?
C22 P2 1.811(2) . ?
C22 Si4 1.912(3) . ?
C22 Si3 1.931(3) . ?
C22 H22A 1.0000 . ?
C23 Si3 1.869(3) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 Si3 1.870(3) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 Si3 1.865(3) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 Si4 1.861(3) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 Si4 1.861(3) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 Si4 1.877(3) . ?
C28 H28C 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28A 0.9800 . ?
C29 N2 1.509(3) . ?
C29 C35 1.523(4) . ?
C29 C34 1.540(4) . ?
C29 C30 1.545(3) . ?
C30 C31 1.517(4) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.512(4) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.548(3) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 N2 1.512(3) . ?
C33 C37 1.536(4) . ?
C33 C36 1.541(4) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37C 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37A 0.9800 . ?
C38 O8 1.145(3) . ?
C38 W2 2.009(3) . ?
C39 O9 1.140(4) . ?
C39 W2 2.042(3) . ?
C40 O10 1.147(3) . ?
C40 W2 2.033(3) . ?
C41 O11 1.133(3) . ?
C41 W2 2.061(3) . ?
C42 O12 1.135(3) . ?
C42 W2 2.065(3) . ?
F1 P1 1.5989(15) . ?
F2 P2 1.5970(16) . ?
N1 O1 1.504(3) . ?
N2 O7 1.507(2) . ?
O1 P1 1.6256(18) . ?
O7 P2 1.6236(18) . ?
P1 W1 2.5034(7) . ?
P2 W2 2.5069(7) . ?

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
P1 C1 Si1 119.61(14) . . ?
P1 C1 Si2 112.00(12) . . ?
Si1 C1 Si2 114.10(13) . . ?
P1 C1 H1A 102.8 . . ?
Si1 C1 H1A 102.8 . . ?
Si2 C1 H1A 102.8 . . ?
Si1 C2 H2A 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
Si1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si1 C3 H3A 109.5 . . ?
Si1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
Si1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si1 C4 H4A 109.5 . . ?
Si1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
Si1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si2 C5 H5A 109.5 . . ?
Si2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
Si2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si2 C6 H6A 109.5 . . ?
Si2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si2 C7 H7C 109.5 . . ?
Si2 C7 H7B 109.5 . . ?
H7C C7 H7B 109.5 . . ?
Si2 C7 H7A 109.5 . . ?
H7C C7 H7A 109.5 . . ?
H7B C7 H7A 109.5 . . ?
N1 C8 C13 116.3(2) . . ?
N1 C8 C14 108.6(2) . . ?
C13 C8 C14 108.3(2) . . ?
N1 C8 C9 105.8(2) . . ?
C13 C8 C9 111.0(2) . . ?
C14 C8 C9 106.4(2) . . ?
C10 C9 C8 114.7(2) . . ?
C10 C9 H9A 108.6 . . ?
C8 C9 H9A 108.6 . . ?
C10 C9 H9B 108.6 . . ?
C8 C9 H9B 108.6 . . ?
H9A C9 H9B 107.6 . . ?
C11 C10 C9 107.7(2) . . ?
C11 C10 H10A 110.2 . . ?
C9 C10 H10A 110.2 . . ?
C11 C10 H10B 110.2 . . ?
C9 C10 H10B 110.2 . . ?
H10A C10 H10B 108.5 . . ?
C10 C11 C12 113.7(2) . . ?
C10 C11 H11A 108.8 . . ?
C12 C11 H11A 108.8 . . ?
C10 C11 H11B 108.8 . . ?
C12 C11 H11B 108.8 . . ?
H11A C11 H11B 107.7 . . ?
N1 C12 C15 107.6(2) . . ?
N1 C12 C11 106.28(19) . . ?
C15 C12 C11 106.7(2) . . ?
N1 C12 C16 115.7(2) . . ?
C15 C12 C16 109.8(2) . . ?
C11 C12 C16 110.3(2) . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C8 C14 H14A 109.5 . . ?
C8 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C8 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C12 C16 H16A 109.5 . . ?
C12 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C12 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O2 C17 W1 179.3(3) . . ?
O3 C18 W1 177.2(2) . . ?
O4 C19 W1 175.6(3) . . ?
O5 C20 W1 175.3(3) . . ?
O6 C21 W1 174.0(2) . . ?
P2 C22 Si4 119.55(13) . . ?
P2 C22 Si3 112.98(13) . . ?
Si4 C22 Si3 113.58(13) . . ?
P2 C22 H22A 102.6 . . ?
Si4 C22 H22A 102.6 . . ?
Si3 C22 H22A 102.6 . . ?
Si3 C23 H23A 109.5 . . ?
Si3 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si3 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si3 C24 H24A 109.5 . . ?
Si3 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si3 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si3 C25 H25A 109.5 . . ?
Si3 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si3 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si4 C26 H26A 109.5 . . ?
Si4 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si4 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si4 C27 H27A 109.5 . . ?
Si4 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
Si4 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si4 C28 H28C 109.5 . . ?
Si4 C28 H28B 109.5 . . ?
H28C C28 H28B 109.5 . . ?
Si4 C28 H28A 109.5 . . ?
H28C C28 H28A 109.5 . . ?
H28B C28 H28A 109.5 . . ?
N2 C29 C35 108.2(2) . . ?
N2 C29 C34 115.8(2) . . ?
C35 C29 C34 108.5(2) . . ?
N2 C29 C30 106.4(2) . . ?
C35 C29 C30 106.6(2) . . ?
C34 C29 C30 110.9(2) . . ?
C31 C30 C29 113.7(2) . . ?
C31 C30 H30A 108.8 . . ?
C29 C30 H30A 108.8 . . ?
C31 C30 H30B 108.8 . . ?
C29 C30 H30B 108.8 . . ?
H30A C30 H30B 107.7 . . ?
C32 C31 C30 108.1(2) . . ?
C32 C31 H31A 110.1 . . ?
C30 C31 H31A 110.1 . . ?
C32 C31 H31B 110.1 . . ?
C30 C31 H31B 110.1 . . ?
H31A C31 H31B 108.4 . . ?
C31 C32 C33 114.3(2) . . ?
C31 C32 H32A 108.7 . . ?
C33 C32 H32A 108.7 . . ?
C31 C32 H32B 108.7 . . ?
C33 C32 H32B 108.7 . . ?
H32A C32 H32B 107.6 . . ?
N2 C33 C37 109.1(2) . . ?
N2 C33 C36 115.9(2) . . ?
C37 C33 C36 108.5(2) . . ?
N2 C33 C32 106.3(2) . . ?
C37 C33 C32 105.9(2) . . ?
C36 C33 C32 110.7(2) . . ?
C29 C34 H34A 109.5 . . ?
C29 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C29 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C29 C35 H35A 109.5 . . ?
C29 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C29 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C33 C37 H37C 109.5 . . ?
C33 C37 H37B 109.5 . . ?
H37C C37 H37B 109.5 . . ?
C33 C37 H37A 109.5 . . ?
H37C C37 H37A 109.5 . . ?
H37B C37 H37A 109.5 . . ?
O8 C38 W2 177.8(3) . . ?
O9 C39 W2 175.1(3) . . ?
O10 C40 W2 177.9(2) . . ?
O11 C41 W2 177.5(2) . . ?
O12 C42 W2 175.7(2) . . ?
O1 N1 C12 105.17(16) . . ?
O1 N1 C8 108.23(18) . . ?
C12 N1 C8 116.8(2) . . ?
O7 N2 C29 105.65(17) . . ?
O7 N2 C33 106.81(17) . . ?
C29 N2 C33 116.63(19) . . ?
N1 O1 P1 117.52(13) . . ?
N2 O7 P2 117.44(13) . . ?
F1 P1 O1 99.50(9) . . ?
F1 P1 C1 99.14(10) . . ?
O1 P1 C1 102.32(10) . . ?
F1 P1 W1 108.65(6) . . ?
O1 P1 W1 123.79(7) . . ?
C1 P1 W1 119.15(9) . . ?
F2 P2 O7 101.19(9) . . ?
F2 P2 C22 99.85(10) . . ?
O7 P2 C22 99.49(10) . . ?
F2 P2 W2 103.49(6) . . ?
O7 P2 W2 126.87(7) . . ?
C22 P2 W2 121.20(9) . . ?
C2 Si1 C3 110.99(16) . . ?
C2 Si1 C4 107.48(17) . . ?
C3 Si1 C4 104.34(15) . . ?
C2 Si1 C1 114.04(14) . . ?
C3 Si1 C1 109.56(13) . . ?
C4 Si1 C1 109.96(13) . . ?
C5 Si2 C6 108.27(15) . . ?
C5 Si2 C7 109.87(18) . . ?
C6 Si2 C7 104.43(16) . . ?
C5 Si2 C1 111.03(14) . . ?
C6 Si2 C1 113.48(13) . . ?
C7 Si2 C1 109.54(14) . . ?
C25 Si3 C23 105.18(14) . . ?
C25 Si3 C24 111.75(15) . . ?
C23 Si3 C24 106.44(14) . . ?
C25 Si3 C22 112.85(12) . . ?
C23 Si3 C22 112.55(13) . . ?
C24 Si3 C22 107.93(13) . . ?
C26 Si4 C27 109.21(15) . . ?
C26 Si4 C28 112.02(13) . . ?
C27 Si4 C28 103.56(14) . . ?
C26 Si4 C22 109.43(13) . . ?
C27 Si4 C22 114.70(12) . . ?
C28 Si4 C22 107.86(12) . . ?
C17 W1 C19 87.08(11) . . ?
C17 W1 C18 90.36(11) . . ?
C19 W1 C18 89.78(10) . . ?
C17 W1 C20 89.19(11) . . ?
C19 W1 C20 85.81(11) . . ?
C18 W1 C20 175.58(10) . . ?
C17 W1 C21 86.95(11) . . ?
C19 W1 C21 173.96(10) . . ?
C18 W1 C21 89.38(10) . . ?
C20 W1 C21 94.98(10) . . ?
C17 W1 P1 178.21(8) . . ?
C19 W1 P1 93.24(8) . . ?
C18 W1 P1 87.88(8) . . ?
C20 W1 P1 92.59(8) . . ?
C21 W1 P1 92.70(8) . . ?
C38 W2 C40 90.29(11) . . ?
C38 W2 C39 86.98(11) . . ?
C40 W2 C39 89.73(11) . . ?
C38 W2 C41 89.11(11) . . ?
C40 W2 C41 87.70(11) . . ?
C39 W2 C41 175.31(11) . . ?
C38 W2 C42 88.62(11) . . ?
C40 W2 C42 175.68(10) . . ?
C39 W2 C42 94.38(11) . . ?
C41 W2 C42 88.10(10) . . ?
C38 W2 P2 177.24(8) . . ?
C40 W2 P2 89.29(8) . . ?
C39 W2 P2 95.75(8) . . ?
C41 W2 P2 88.15(8) . . ?
C42 W2 P2 91.59(8) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C8 C9 C10 55.4(3) . . . . ?
C13 C8 C9 C10 -71.6(3) . . . . ?
C14 C8 C9 C10 170.8(3) . . . . ?
C8 C9 C10 C11 -57.4(4) . . . . ?
C9 C10 C11 C12 57.4(3) . . . . ?
C10 C11 C12 N1 -56.3(3) . . . . ?
C10 C11 C12 C15 -170.8(2) . . . . ?
C10 C11 C12 C16 69.9(3) . . . . ?
N2 C29 C30 C31 56.1(3) . . . . ?
C35 C29 C30 C31 171.4(2) . . . . ?
C34 C29 C30 C31 -70.6(3) . . . . ?
C29 C30 C31 C32 -57.4(3) . . . . ?
C30 C31 C32 C33 57.0(3) . . . . ?
C31 C32 C33 N2 -55.1(3) . . . . ?
C31 C32 C33 C37 -171.1(3) . . . . ?
C31 C32 C33 C36 71.5(3) . . . . ?
C15 C12 N1 O1 -69.0(2) . . . . ?
C11 C12 N1 O1 177.1(2) . . . . ?
C16 C12 N1 O1 54.2(3) . . . . ?
C15 C12 N1 C8 171.1(2) . . . . ?
C11 C12 N1 C8 57.1(3) . . . . ?
C16 C12 N1 C8 -65.8(3) . . . . ?
C13 C8 N1 O1 -50.9(3) . . . . ?
C14 C8 N1 O1 71.5(2) . . . . ?
C9 C8 N1 O1 -174.63(19) . . . . ?
C13 C8 N1 C12 67.4(3) . . . . ?
C14 C8 N1 C12 -170.2(2) . . . . ?
C9 C8 N1 C12 -56.3(3) . . . . ?
C35 C29 N2 O7 70.5(2) . . . . ?
C34 C29 N2 O7 -51.6(3) . . . . ?
C30 C29 N2 O7 -175.30(19) . . . . ?
C35 C29 N2 C33 -171.1(2) . . . . ?
C34 C29 N2 C33 66.9(3) . . . . ?
C30 C29 N2 C33 -56.8(3) . . . . ?
C37 C33 N2 O7 -72.2(2) . . . . ?
C36 C33 N2 O7 50.6(3) . . . . ?
C32 C33 N2 O7 173.99(19) . . . . ?
C37 C33 N2 C29 170.0(2) . . . . ?
C36 C33 N2 C29 -67.2(3) . . . . ?
C32 C33 N2 C29 56.2(3) . . . . ?
C12 N1 O1 P1 126.17(17) . . . . ?
C8 N1 O1 P1 -108.35(18) . . . . ?
C29 N2 O7 P2 -122.11(17) . . . . ?
C33 N2 O7 P2 113.07(18) . . . . ?
N1 O1 P1 F1 89.04(15) . . . . ?
N1 O1 P1 C1 -169.34(15) . . . . ?
N1 O1 P1 W1 -31.09(17) . . . . ?
Si1 C1 P1 F1 112.82(15) . . . . ?
Si2 C1 P1 F1 -24.58(15) . . . . ?
Si1 C1 P1 O1 10.92(18) . . . . ?
Si2 C1 P1 O1 -126.48(13) . . . . ?
Si1 C1 P1 W1 -129.76(12) . . . . ?
Si2 C1 P1 W1 92.84(13) . . . . ?
N2 O7 P2 F2 -80.82(16) . . . . ?
N2 O7 P2 C22 177.07(16) . . . . ?
N2 O7 P2 W2 35.64(18) . . . . ?
Si4 C22 P2 F2 -149.72(14) . . . . ?
Si3 C22 P2 F2 -12.00(15) . . . . ?
Si4 C22 P2 O7 -46.50(17) . . . . ?
Si3 C22 P2 O7 91.22(14) . . . . ?
Si4 C22 P2 W2 97.83(15) . . . . ?
Si3 C22 P2 W2 -124.45(11) . . . . ?
P1 C1 Si1 C2 -63.3(2) . . . . ?
Si2 C1 Si1 C2 73.25(18) . . . . ?
P1 C1 Si1 C3 61.8(2) . . . . ?
Si2 C1 Si1 C3 -161.66(15) . . . . ?
P1 C1 Si1 C4 175.89(18) . . . . ?
Si2 C1 Si1 C4 -47.5(2) . . . . ?
P1 C1 Si2 C5 81.65(17) . . . . ?
Si1 C1 Si2 C5 -58.21(18) . . . . ?
P1 C1 Si2 C6 -40.6(2) . . . . ?
Si1 C1 Si2 C6 179.57(15) . . . . ?
P1 C1 Si2 C7 -156.83(18) . . . . ?
Si1 C1 Si2 C7 63.3(2) . . . . ?
P2 C22 Si3 C25 -53.87(19) . . . . ?
Si4 C22 Si3 C25 86.45(16) . . . . ?
P2 C22 Si3 C23 -172.73(15) . . . . ?
Si4 C22 Si3 C23 -32.41(19) . . . . ?
P2 C22 Si3 C24 70.11(16) . . . . ?
Si4 C22 Si3 C24 -149.57(13) . . . . ?
P2 C22 Si4 C26 85.91(18) . . . . ?
Si3 C22 Si4 C26 -51.58(16) . . . . ?
P2 C22 Si4 C27 -37.2(2) . . . . ?
Si3 C22 Si4 C27 -174.69(14) . . . . ?
P2 C22 Si4 C28 -151.99(16) . . . . ?
Si3 C22 Si4 C28 70.52(16) . . . . ?
O2 C17 W1 C19 77(28) . . . . ?
O2 C17 W1 C18 166(100) . . . . ?
O2 C17 W1 C20 -9(28) . . . . ?
O2 C17 W1 C21 -104(28) . . . . ?
O2 C17 W1 P1 177(100) . . . . ?
O4 C19 W1 C17 -6(3) . . . . ?
O4 C19 W1 C18 -96(3) . . . . ?
O4 C19 W1 C20 84(3) . . . . ?
O4 C19 W1 C21 -14(4) . . . . ?
O4 C19 W1 P1 176(3) . . . . ?
O3 C18 W1 C17 -70(5) . . . . ?
O3 C18 W1 C19 17(5) . . . . ?
O3 C18 W1 C20 14(6) . . . . ?
O3 C18 W1 C21 -157(5) . . . . ?
O3 C18 W1 P1 110(5) . . . . ?
O5 C20 W1 C17 59(3) . . . . ?
O5 C20 W1 C19 -28(3) . . . . ?
O5 C20 W1 C18 -25(4) . . . . ?
O5 C20 W1 C21 146(3) . . . . ?
O5 C20 W1 P1 -121(3) . . . . ?
O6 C21 W1 C17 -21(2) . . . . ?
O6 C21 W1 C19 -13(3) . . . . ?
O6 C21 W1 C18 69(2) . . . . ?
O6 C21 W1 C20 -110(2) . . . . ?
O6 C21 W1 P1 157(2) . . . . ?
F1 P1 W1 C17 -6(3) . . . . ?
O1 P1 W1 C17 110(3) . . . . ?
C1 P1 W1 C17 -119(3) . . . . ?
F1 P1 W1 C19 93.85(10) . . . . ?
O1 P1 W1 C19 -150.35(10) . . . . ?
C1 P1 W1 C19 -18.50(12) . . . . ?
F1 P1 W1 C18 4.19(10) . . . . ?
O1 P1 W1 C18 119.99(11) . . . . ?
C1 P1 W1 C18 -108.16(12) . . . . ?
F1 P1 W1 C20 179.79(10) . . . . ?
O1 P1 W1 C20 -64.41(11) . . . . ?
C1 P1 W1 C20 67.44(12) . . . . ?
F1 P1 W1 C21 -85.09(10) . . . . ?
O1 P1 W1 C21 30.71(10) . . . . ?
C1 P1 W1 C21 162.56(11) . . . . ?
O8 C38 W2 C40 -120(6) . . . . ?
O8 C38 W2 C39 -31(6) . . . . ?
O8 C38 W2 C41 152(6) . . . . ?
O8 C38 W2 C42 64(6) . . . . ?
O8 C38 W2 P2 158(5) . . . . ?
O10 C40 W2 C38 -78(7) . . . . ?
O10 C40 W2 C39 -165(7) . . . . ?
O10 C40 W2 C41 11(7) . . . . ?
O10 C40 W2 C42 -2(8) . . . . ?
O10 C40 W2 P2 100(7) . . . . ?
O9 C39 W2 C38 -25(3) . . . . ?
O9 C39 W2 C40 66(3) . . . . ?
O9 C39 W2 C41 9(4) . . . . ?
O9 C39 W2 C42 -113(3) . . . . ?
O9 C39 W2 P2 155(3) . . . . ?
O11 C41 W2 C38 48(6) . . . . ?
O11 C41 W2 C40 -43(6) . . . . ?
O11 C41 W2 C39 14(7) . . . . ?
O11 C41 W2 C42 136(6) . . . . ?
O11 C41 W2 P2 -132(6) . . . . ?
O12 C42 W2 C38 32(3) . . . . ?
O12 C42 W2 C40 -43(4) . . . . ?
O12 C42 W2 C39 119(3) . . . . ?
O12 C42 W2 C41 -57(3) . . . . ?
O12 C42 W2 P2 -145(3) . . . . ?
F2 P2 W2 C38 -12.2(16) . . . . ?
O7 P2 W2 C38 -127.6(16) . . . . ?
C22 P2 W2 C38 98.3(16) . . . . ?
F2 P2 W2 C40 -93.58(10) . . . . ?
O7 P2 W2 C40 151.00(12) . . . . ?
C22 P2 W2 C40 16.96(12) . . . . ?
F2 P2 W2 C39 176.76(9) . . . . ?
O7 P2 W2 C39 61.34(12) . . . . ?
C22 P2 W2 C39 -72.70(12) . . . . ?
F2 P2 W2 C41 -5.86(9) . . . . ?
O7 P2 W2 C41 -121.28(11) . . . . ?
C22 P2 W2 C41 104.68(12) . . . . ?
F2 P2 W2 C42 82.19(9) . . . . ?
O7 P2 W2 C42 -33.23(12) . . . . ?
C22 P2 W2 C42 -167.27(12) . . . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         1.484
_refine_diff_density_min         -2.141
_refine_diff_density_rms         0.117
_database_code_depnum_ccdc_archive 'CCDC 937956'
#######################################################################
#
#                 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_3576
_audit_creation_date             2014-06-24
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.06.20 svn.r2946 for OlexSys, GUI svn.r4855)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C21 H39 N O6 P Si2 W'
_chemical_formula_sum            'C21 H39 N O6 P Si2 W'
_chemical_formula_weight         672.53
_chemical_melting_point          ?
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'
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.7971(4)
_cell_length_b                   15.3781(4)
_cell_length_c                   12.4122(3)
_cell_angle_alpha                90
_cell_angle_beta                 95.438(2)
_cell_angle_gamma                90
_cell_volume                     2811.70(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    ?
_cell_measurement_temperature    123
_cell_measurement_theta_max      ?
_cell_measurement_theta_min      ?
_shelx_estimated_absorpt_T_max   0.783
_shelx_estimated_absorpt_T_min   0.627
_exptl_absorpt_coefficient_mu    4.284
_exptl_absorpt_correction_T_max  0.6001
_exptl_absorpt_correction_T_min  0.5100
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'Xred, STOE & CIE, 2011'
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.589
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1348
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0520
_diffrn_reflns_av_unetI/netI     0.0472
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            23804
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.993
_diffrn_reflns_theta_min         2.766
_diffrn_ambient_temperature      123(2)
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_detector_area_resol_mean 6.67
_diffrn_detector_type            STOE
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS-2T'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_collimation    '0.5 mm diameter, monocapillary'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_diffrn_source_current           40
_diffrn_source_power             2.00
_diffrn_source_voltage           50
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5259
_reflns_number_total             6783
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         1.296
_refine_diff_density_min         -1.490
_refine_diff_density_rms         0.114
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.935
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     302
_refine_ls_number_reflns         6783
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0452
_refine_ls_R_factor_gt           0.0308
_refine_ls_restrained_S_all      0.935
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0278P)²]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0554
_refine_ls_wR_factor_ref         0.0577
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups, All P(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Riding coordinates:
 N(HA)
2.b Ternary CH refined with riding coordinates:
 C10(H10)
2.c Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B)
2.d Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C11(H11A,
 H11B,H11C), C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C),
 C15(H15A,H15B,H15C), C16(H16A,H16B,H16C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W W -0.24705(2) -0.49214(2) -0.52497(2) 0.01977(4) Uani 1 1 d . . . . .
P P -0.23931(5) -0.50111(5) -0.32225(7) 0.01924(15) Uani 1 1 d . . . . .
H H -0.184(3) -0.442(2) -0.287(3) 0.023 Uiso 1 1 d R . . . .
Si1 Si -0.40292(7) -0.57001(6) -0.18884(8) 0.0238(2) Uani 1 1 d . . . . .
Si2 Si -0.32068(8) -0.37619(6) -0.16746(9) 0.0292(2) Uani 1 1 d . . . . .
O1 O -0.19773(15) -0.58395(14) -0.24801(19) 0.0188(5) Uani 1 1 d . . . . .
O2 O -0.24741(19) -0.4742(2) -0.7781(2) 0.0393(7) Uani 1 1 d . . . . .
O3 O -0.05426(17) -0.58455(16) -0.5286(2) 0.0267(5) Uani 1 1 d . . . . .
O4 O -0.1413(2) -0.31256(17) -0.4975(3) 0.0374(7) Uani 1 1 d . . . . .
O5 O -0.4321(2) -0.3896(2) -0.5199(3) 0.0506(9) Uani 1 1 d . . . . .
O6 O -0.37010(19) -0.66010(19) -0.5750(3) 0.0384(7) Uani 1 1 d . . . . .
N N -0.11402(18) -0.62286(17) -0.2847(2) 0.0181(5) Uani 1 1 d . . . . .
HA H -0.1042 -0.5981 -0.3572 0.022 Uiso 1 1 d R . . . .
C1 C -0.1328(2) -0.7183(2) -0.2971(3) 0.0211(7) Uani 1 1 d . . . . .
C2 C -0.0450(2) -0.7606(2) -0.3278(3) 0.0263(8) Uani 1 1 d . . . . .
H2A H -0.0541 -0.8243 -0.3335 0.032 Uiso 1 1 calc R . . . .
H2B H -0.0320 -0.7390 -0.3999 0.032 Uiso 1 1 calc R . . . .
C3 C 0.0361(3) -0.7425(2) -0.2475(3) 0.0305(8) Uani 1 1 d . . . . .
H3A H 0.0913 -0.7693 -0.2724 0.037 Uiso 1 1 calc R . . . .
H3B H 0.0262 -0.7674 -0.1760 0.037 Uiso 1 1 calc R . . . .
C4 C 0.0479(2) -0.6447(2) -0.2386(3) 0.0283(8) Uani 1 1 d . . . . .
H4A H 0.0626 -0.6218 -0.3094 0.034 Uiso 1 1 calc R . . . .
H4B H 0.1001 -0.6319 -0.1850 0.034 Uiso 1 1 calc R . . . .
C5 C -0.0359(2) -0.5967(2) -0.2051(3) 0.0215(7) Uani 1 1 d . . . . .
C6 C -0.2040(3) -0.7310(2) -0.3930(3) 0.0255(7) Uani 1 1 d . . . . .
H6A H -0.2602 -0.7013 -0.3786 0.038 Uiso 1 1 calc GR . . . .
H6B H -0.2161 -0.7932 -0.4036 0.038 Uiso 1 1 calc GR . . . .
H6C H -0.1815 -0.7067 -0.4584 0.038 Uiso 1 1 calc GR . . . .
C7 C -0.1667(3) -0.7627(2) -0.1975(3) 0.0257(7) Uani 1 1 d . . . . .
H7A H -0.1159 -0.7700 -0.1416 0.038 Uiso 1 1 calc GR . . . .
H7B H -0.1922 -0.8198 -0.2182 0.038 Uiso 1 1 calc GR . . . .
H7C H -0.2136 -0.7266 -0.1692 0.038 Uiso 1 1 calc GR . . . .
C8 C -0.0180(2) -0.4995(2) -0.2209(3) 0.0289(7) Uani 1 1 d . . . . .
H8A H -0.0221 -0.4862 -0.2984 0.043 Uiso 1 1 calc GR . . . .
H8B H 0.0428 -0.4848 -0.1877 0.043 Uiso 1 1 calc GR . . . .
H8C H -0.0633 -0.4653 -0.1866 0.043 Uiso 1 1 calc GR . . . .
C9 C -0.0488(3) -0.6118(2) -0.0855(3) 0.0284(8) Uani 1 1 d . . . . .
H9A H -0.1097 -0.5928 -0.0710 0.043 Uiso 1 1 calc GR . . . .
H9B H -0.0033 -0.5783 -0.0403 0.043 Uiso 1 1 calc GR . . . .
H9C H -0.0416 -0.6738 -0.0686 0.043 Uiso 1 1 calc GR . . . .
C10 C -0.3411(2) -0.4783(2) -0.2545(3) 0.0238(7) Uani 1 1 d . . . . .
H10 H -0.3860 -0.4586 -0.3148 0.029 Uiso 1 1 calc R . . . .
C11 C -0.5226(3) -0.5328(3) -0.1847(4) 0.0383(10) Uani 1 1 d . . . . .
H11A H -0.5250 -0.4877 -0.1292 0.057 Uiso 1 1 calc GR . . . .
H11B H -0.5606 -0.5822 -0.1674 0.057 Uiso 1 1 calc GR . . . .
H11C H -0.5452 -0.5090 -0.2554 0.057 Uiso 1 1 calc GR . . . .
C12 C -0.4111(3) -0.6719(3) -0.2702(3) 0.0322(8) Uani 1 1 d . . . . .
H12A H -0.4235 -0.6574 -0.3470 0.048 Uiso 1 1 calc GR . . . .
H12B H -0.4604 -0.7081 -0.2474 0.048 Uiso 1 1 calc GR . . . .
H12C H -0.3537 -0.7038 -0.2589 0.048 Uiso 1 1 calc GR . . . .
C13 C -0.3491(3) -0.5951(3) -0.0506(3) 0.0298(8) Uani 1 1 d . . . . .
H13A H -0.2853 -0.6106 -0.0546 0.045 Uiso 1 1 calc GR . . . .
H13B H -0.3809 -0.6439 -0.0203 0.045 Uiso 1 1 calc GR . . . .
H13C H -0.3528 -0.5440 -0.0041 0.045 Uiso 1 1 calc GR . . . .
C14 C -0.2204(3) -0.3922(3) -0.0659(3) 0.0382(10) Uani 1 1 d . . . . .
H14A H -0.2172 -0.4533 -0.0433 0.057 Uiso 1 1 calc GR . . . .
H14B H -0.2266 -0.3552 -0.0028 0.057 Uiso 1 1 calc GR . . . .
H14C H -0.1648 -0.3766 -0.0985 0.057 Uiso 1 1 calc GR . . . .
C15 C -0.4203(3) -0.3475(3) -0.0919(4) 0.0447(11) Uani 1 1 d . . . . .
H15A H -0.4749 -0.3430 -0.1428 0.067 Uiso 1 1 calc GR . . . .
H15B H -0.4090 -0.2917 -0.0550 0.067 Uiso 1 1 calc GR . . . .
H15C H -0.4290 -0.3928 -0.0383 0.067 Uiso 1 1 calc GR . . . .
C16 C -0.3031(3) -0.2824(3) -0.2599(4) 0.0380(10) Uani 1 1 d . . . . .
H16A H -0.2554 -0.2970 -0.3065 0.057 Uiso 1 1 calc GR . . . .
H16B H -0.2850 -0.2309 -0.2166 0.057 Uiso 1 1 calc GR . . . .
H16C H -0.3598 -0.2702 -0.3048 0.057 Uiso 1 1 calc GR . . . .
C17 C -0.2482(2) -0.4797(3) -0.6866(3) 0.0275(7) Uani 1 1 d . . . . .
C18 C -0.1232(2) -0.5543(2) -0.5239(3) 0.0224(7) Uani 1 1 d . . . . .
C19 C -0.1780(2) -0.3777(2) -0.5057(3) 0.0257(7) Uani 1 1 d . . . . .
C20 C -0.3658(3) -0.4263(3) -0.5227(3) 0.0307(8) Uani 1 1 d . . . . .
C21 C -0.3240(3) -0.6022(2) -0.5534(3) 0.0259(7) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W P 2.5117(8) . ?
W C17 2.014(4) . ?
W C18 2.065(4) . ?
W C19 2.038(4) . ?
W C20 2.031(4) . ?
W C21 2.052(4) . ?
P H 1.26(4) . ?
P O1 1.656(2) . ?
P C10 1.827(4) . ?
Si1 C10 1.906(4) . ?
Si1 C11 1.867(4) . ?
Si1 C12 1.861(4) . ?
Si1 C13 1.862(4) . ?
Si2 C10 1.913(4) . ?
Si2 C14 1.870(4) . ?
Si2 C15 1.873(4) . ?
Si2 C16 1.876(4) . ?
O1 N 1.485(3) . ?
O2 C17 1.140(4) . ?
O3 C18 1.128(4) . ?
O4 C19 1.139(4) . ?
O5 C20 1.135(5) . ?
O6 C21 1.138(4) . ?
N HA 1.0001 . ?
N C1 1.500(4) . ?
N C5 1.503(4) . ?
C1 C2 1.533(5) . ?
C1 C6 1.525(5) . ?
C1 C7 1.537(5) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.512(5) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.517(5) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C5 1.533(5) . ?
C5 C8 1.535(5) . ?
C5 C9 1.532(5) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C17 W P 176.85(11) . . ?
C17 W C18 88.50(14) . . ?
C17 W C19 89.51(15) . . ?
C17 W C20 92.34(15) . . ?
C17 W C21 87.42(15) . . ?
C18 W P 90.68(10) . . ?
C19 W P 87.43(11) . . ?
C19 W C18 87.96(13) . . ?
C19 W C21 175.27(14) . . ?
C20 W P 88.34(11) . . ?
C20 W C18 177.39(14) . . ?
C20 W C19 89.58(15) . . ?
C20 W C21 86.96(16) . . ?
C21 W P 95.69(11) . . ?
C21 W C18 95.54(13) . . ?
W P H 105.8(19) . . ?
O1 P W 125.37(9) . . ?
O1 P H 99.5(17) . . ?
O1 P C10 99.82(14) . . ?
C10 P W 119.30(11) . . ?
C10 P H 103.6(18) . . ?
C11 Si1 C10 106.27(18) . . ?
C12 Si1 C10 113.60(18) . . ?
C12 Si1 C11 105.05(19) . . ?
C12 Si1 C13 108.99(18) . . ?
C13 Si1 C10 111.50(16) . . ?
C13 Si1 C11 111.24(19) . . ?
C14 Si2 C10 110.17(16) . . ?
C14 Si2 C15 107.8(2) . . ?
C14 Si2 C16 111.5(2) . . ?
C15 Si2 C10 112.74(19) . . ?
C15 Si2 C16 106.6(2) . . ?
C16 Si2 C10 108.02(18) . . ?
N O1 P 114.59(18) . . ?
O1 N HA 108.6 . . ?
O1 N C1 105.9(2) . . ?
O1 N C5 107.7(2) . . ?
C1 N HA 108.7 . . ?
C1 N C5 116.9(2) . . ?
C5 N HA 108.7 . . ?
N C1 C2 106.7(3) . . ?
N C1 C6 108.3(3) . . ?
N C1 C7 115.0(3) . . ?
C2 C1 C7 111.1(3) . . ?
C6 C1 C2 106.9(3) . . ?
C6 C1 C7 108.5(3) . . ?
C1 C2 H2A 108.9 . . ?
C1 C2 H2B 108.9 . . ?
H2A C2 H2B 107.7 . . ?
C3 C2 C1 113.4(3) . . ?
C3 C2 H2A 108.9 . . ?
C3 C2 H2B 108.9 . . ?
C2 C3 H3A 110.1 . . ?
C2 C3 H3B 110.1 . . ?
C2 C3 C4 108.0(3) . . ?
H3A C3 H3B 108.4 . . ?
C4 C3 H3A 110.1 . . ?
C4 C3 H3B 110.1 . . ?
C3 C4 H4A 108.8 . . ?
C3 C4 H4B 108.8 . . ?
C3 C4 C5 114.0(3) . . ?
H4A C4 H4B 107.7 . . ?
C5 C4 H4A 108.8 . . ?
C5 C4 H4B 108.8 . . ?
N C5 C4 106.5(3) . . ?
N C5 C8 107.9(3) . . ?
N C5 C9 116.0(3) . . ?
C4 C5 C8 106.3(3) . . ?
C9 C5 C4 111.6(3) . . ?
C9 C5 C8 108.0(3) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C1 C7 H7A 109.5 . . ?
C1 C7 H7B 109.5 . . ?
C1 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C5 C9 H9A 109.5 . . ?
C5 C9 H9B 109.5 . . ?
C5 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
P C10 Si1 120.31(18) . . ?
P C10 Si2 108.96(18) . . ?
P C10 H10 103.4 . . ?
Si1 C10 Si2 114.99(18) . . ?
Si1 C10 H10 103.4 . . ?
Si2 C10 H10 103.4 . . ?
Si1 C11 H11A 109.5 . . ?
Si1 C11 H11B 109.5 . . ?
Si1 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si1 C12 H12A 109.5 . . ?
Si1 C12 H12B 109.5 . . ?
Si1 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si1 C13 H13A 109.5 . . ?
Si1 C13 H13B 109.5 . . ?
Si1 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si2 C14 H14A 109.5 . . ?
Si2 C14 H14B 109.5 . . ?
Si2 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si2 C15 H15A 109.5 . . ?
Si2 C15 H15B 109.5 . . ?
Si2 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si2 C16 H16A 109.5 . . ?
Si2 C16 H16B 109.5 . . ?
Si2 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O2 C17 W 178.4(3) . . ?
O3 C18 W 175.4(3) . . ?
O4 C19 W 177.8(3) . . ?
O5 C20 W 179.0(4) . . ?
O6 C21 W 175.1(3) . . ?

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
W P O1 N 40.3(2) . . . . ?
W P C10 Si1 108.88(17) . . . . ?
W P C10 Si2 -115.21(13) . . . . ?
P O1 N C1 -127.0(2) . . . . ?
P O1 N C5 107.2(2) . . . . ?
O1 P C10 Si1 -31.5(2) . . . . ?
O1 P C10 Si2 104.37(16) . . . . ?
O1 N C1 C2 -176.4(2) . . . . ?
O1 N C1 C6 68.8(3) . . . . ?
O1 N C1 C7 -52.7(3) . . . . ?
O1 N C5 C4 174.7(3) . . . . ?
O1 N C5 C8 -71.5(3) . . . . ?
O1 N C5 C9 49.8(3) . . . . ?
N C1 C2 C3 56.1(4) . . . . ?
C1 N C5 C4 55.7(4) . . . . ?
C1 N C5 C8 169.5(3) . . . . ?
C1 N C5 C9 -69.2(4) . . . . ?
C1 C2 C3 C4 -57.6(4) . . . . ?
C2 C3 C4 C5 57.3(4) . . . . ?
C3 C4 C5 N -54.9(4) . . . . ?
C3 C4 C5 C8 -169.8(3) . . . . ?
C3 C4 C5 C9 72.7(4) . . . . ?
C5 N C1 C2 -56.5(4) . . . . ?
C5 N C1 C6 -171.3(3) . . . . ?
C5 N C1 C7 67.3(4) . . . . ?
C6 C1 C2 C3 171.8(3) . . . . ?
C7 C1 C2 C3 -70.0(4) . . . . ?
C10 P O1 N 177.4(2) . . . . ?

_database_code_depnum_ccdc_archive 'CCDC 1016739'
#######################################################################
#
#                 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_2864

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C12 H19 F O6 P Si2 W, C9 H20 N'
_chemical_formula_sum            'C21 H39 F N O6 P Si2 W'
_chemical_formula_weight         691.52

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'
F F 0.0171 0.0103 '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'
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                   9.1438(7)
_cell_length_b                   12.6924(10)
_cell_length_c                   13.4939(11)
_cell_angle_alpha                80.702(3)
_cell_angle_beta                 85.600(3)
_cell_angle_gamma                71.974(3)
_cell_volume                     1469.0(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    4311
_cell_measurement_theta_min      2.76
_cell_measurement_theta_max      30.37

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             692
_exptl_absorpt_coefficient_mu    4.106
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4653
_exptl_absorpt_correction_T_max  0.7347
_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_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       ccd
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            48243
_diffrn_reflns_av_R_equivalents  0.0701
_diffrn_reflns_av_sigmaI/netI    0.0604
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.45
_diffrn_reflns_theta_max         27.00
_reflns_number_total             6310
_reflns_number_gt                5094
_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 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)+(0.0000P)²+22.9626P] 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_number_reflns         6310
_refine_ls_number_parameters     317
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0838
_refine_ls_R_factor_gt           0.0544
_refine_ls_wR_factor_ref         0.1339
_refine_ls_wR_factor_gt          0.1136
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_restrained_S_all      1.086
_refine_ls_shift/su_max          0.009
_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 1.1484(10) 0.8434(6) 0.7202(6) 0.0179(17) Uani 1 1 d . . .
H1A H 1.0830 0.8996 0.6681 0.021 Uiso 1 1 calc R . .
C2 C 1.4284(12) 0.7615(10) 0.5744(8) 0.043(3) Uani 1 1 d . . .
H2A H 1.3820 0.8058 0.5119 0.052 Uiso 1 1 calc R . .
H2B H 1.4026 0.6910 0.5867 0.052 Uiso 1 1 calc R . .
H2C H 1.5404 0.7455 0.5686 0.052 Uiso 1 1 calc R . .
C3 C 1.4856(12) 0.7761(8) 0.7867(7) 0.033(2) Uani 1 1 d . . .
H3A H 1.4773 0.7011 0.8115 0.040 Uiso 1 1 calc R . .
H3B H 1.4589 0.8218 0.8412 0.040 Uiso 1 1 calc R . .
H3C H 1.5913 0.7701 0.7624 0.040 Uiso 1 1 calc R . .
C4 C 1.3501(13) 0.9889(9) 0.6385(9) 0.043(3) Uani 1 1 d . . .
H4A H 1.3816 1.0190 0.6930 0.052 Uiso 1 1 calc R . .
H4B H 1.2461 1.0345 0.6185 0.052 Uiso 1 1 calc R . .
H4C H 1.4218 0.9908 0.5808 0.052 Uiso 1 1 calc R . .
C5 C 1.1363(17) 1.0218(9) 0.8542(9) 0.052(3) Uani 1 1 d . . .
H5A H 1.0932 1.0822 0.7995 0.063 Uiso 1 1 calc R . .
H5B H 1.2489 1.0011 0.8498 0.063 Uiso 1 1 calc R . .
H5C H 1.0998 1.0475 0.9189 0.063 Uiso 1 1 calc R . .
C6 C 1.1501(13) 0.7868(8) 0.9526(7) 0.032(2) Uani 1 1 d . . .
H6A H 1.2603 0.7512 0.9410 0.039 Uiso 1 1 calc R . .
H6B H 1.0961 0.7301 0.9604 0.039 Uiso 1 1 calc R . .
H6C H 1.1345 0.8218 1.0137 0.039 Uiso 1 1 calc R . .
C7 C 0.8623(14) 0.9474(9) 0.8489(8) 0.045(3) Uani 1 1 d . . .
H7A H 0.8206 0.8851 0.8481 0.054 Uiso 1 1 calc R . .
H7B H 0.8257 1.0046 0.7908 0.054 Uiso 1 1 calc R . .
H7C H 0.8280 0.9800 0.9108 0.054 Uiso 1 1 calc R . .
C8 C 0.8599(11) 0.7082(7) 0.4340(7) 0.029(2) Uani 1 1 d . . .
C9 C 0.8752(12) 0.6050(8) 0.6406(7) 0.032(2) Uani 1 1 d . . .
C10 C 0.8128(10) 0.8443(8) 0.5990(7) 0.028(2) Uani 1 1 d . . .
C11 C 1.0691(11) 0.8197(7) 0.4631(7) 0.031(2) Uani 1 1 d . . .
C12 C 1.1649(12) 0.5786(7) 0.5243(7) 0.028(2) Uani 1 1 d . . .
C13 C 1.2464(13) 0.3648(7) 0.8837(8) 0.033(2) Uani 1 1 d . . .
C14 C 1.3042(15) 0.2375(8) 0.9113(9) 0.046(3) Uani 1 1 d . . .
H14A H 1.2582 0.2158 0.9773 0.055 Uiso 1 1 calc R . .
H14B H 1.2695 0.2026 0.8608 0.055 Uiso 1 1 calc R . .
C15 C 1.4781(15) 0.1930(8) 0.9165(9) 0.048(3) Uani 1 1 d . . .
H15A H 1.5101 0.1102 0.9317 0.057 Uiso 1 1 calc R . .
H15B H 1.5127 0.2220 0.9713 0.057 Uiso 1 1 calc R . .
C16 C 1.5537(13) 0.2281(8) 0.8174(8) 0.039(3) Uani 1 1 d . . .
H16A H 1.5261 0.1928 0.7644 0.047 Uiso 1 1 calc R . .
H16B H 1.6668 0.1993 0.8239 0.047 Uiso 1 1 calc R . .
C17 C 1.5077(11) 0.3553(7) 0.7843(7) 0.029(2) Uani 1 1 d . . .
C18 C 1.0794(15) 0.4018(10) 0.8558(10) 0.052(3) Uani 1 1 d . . .
H18A H 1.0168 0.3828 0.9142 0.062 Uiso 1 1 calc R . .
H18B H 1.0676 0.3636 0.8007 0.062 Uiso 1 1 calc R . .
H18C H 1.0454 0.4829 0.8345 0.062 Uiso 1 1 calc R . .
C19 C 1.2616(17) 0.4259(9) 0.9699(8) 0.054(4) Uani 1 1 d . . .
H19A H 1.3672 0.3973 0.9936 0.065 Uiso 1 1 calc R . .
H19B H 1.1903 0.4130 1.0253 0.065 Uiso 1 1 calc R . .
H19C H 1.2368 0.5064 0.9459 0.065 Uiso 1 1 calc R . .
C20 C 1.5514(14) 0.3827(10) 0.6743(9) 0.048(3) Uani 1 1 d . . .
H20A H 1.5045 0.3455 0.6332 0.057 Uiso 1 1 calc R . .
H20B H 1.6635 0.3565 0.6652 0.057 Uiso 1 1 calc R . .
H20C H 1.5141 0.4639 0.6535 0.057 Uiso 1 1 calc R . .
C21 C 1.5770(15) 0.4150(9) 0.8479(9) 0.044(3) Uani 1 1 d . . .
H21A H 1.6870 0.3998 0.8312 0.053 Uiso 1 1 calc R . .
H21B H 1.5630 0.3879 0.9192 0.053 Uiso 1 1 calc R . .
H21C H 1.5256 0.4958 0.8346 0.053 Uiso 1 1 calc R . .
F F 0.9853(7) 0.7066(5) 0.8006(4) 0.0375(14) Uani 1 1 d . . .
O1 O 1.2503(8) 0.6179(5) 0.7478(5) 0.0290(15) Uani 1 1 d . . .
O2 O 0.7929(10) 0.7071(6) 0.3670(5) 0.047(2) Uani 1 1 d . . .
O3 O 0.8166(10) 0.5467(7) 0.6870(6) 0.048(2) Uani 1 1 d . . .
O4 O 0.7279(8) 0.9193(6) 0.6270(6) 0.0431(18) Uani 1 1 d . . .
O5 O 1.1135(9) 0.8852(6) 0.4092(6) 0.050(2) Uani 1 1 d . . .
O6 O 1.2716(9) 0.5062(6) 0.5144(6) 0.0437(18) Uani 1 1 d . . .
P P 1.1146(3) 0.71139(18) 0.70827(18) 0.0253(5) Uani 1 1 d . . .
Si1 Si 1.3515(3) 0.8428(2) 0.6821(2) 0.0282(6) Uani 1 1 d . . .
Si2 Si 1.0727(4) 0.8958(2) 0.8431(2) 0.0340(7) Uani 1 1 d . . .
W W 0.97949(5) 0.70989(3) 0.55293(3) 0.02491(13) Uani 1 1 d . . .
N N 1.3326(10) 0.3992(6) 0.7900(6) 0.0252(18) Uani 1 1 d . . .
H22 H 1.304(13) 0.378(9) 0.746(8) 0.04(3) Uiso 1 1 d . . .
H23 H 1.298(15) 0.477(11) 0.775(9) 0.06(4) Uiso 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 P 1.828(7) . ?
C1 Si1 1.888(9) . ?
C1 Si2 1.889(8) . ?
C1 H1A 1.0000 . ?
C2 Si1 1.884(10) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 Si1 1.857(9) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 Si1 1.849(10) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 Si2 1.893(11) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 Si2 1.869(10) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 Si2 1.830(12) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 O2 1.135(11) . ?
C8 W 2.016(10) . ?
C9 O3 1.127(11) . ?
C9 W 2.045(10) . ?
C10 O4 1.124(11) . ?
C10 W 2.051(10) . ?
C11 O5 1.163(11) . ?
C11 W 2.023(9) . ?
C12 O6 1.131(11) . ?
C12 W 2.039(10) . ?
C13 C18 1.510(16) . ?
C13 N 1.514(13) . ?
C13 C14 1.528(12) . ?
C13 C19 1.536(14) . ?
C14 C15 1.517(17) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.523(16) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.536(12) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C21 1.517(13) . ?
C17 C20 1.521(14) . ?
C17 N 1.524(13) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
F P 1.658(6) . ?
O1 P 1.489(6) . ?
P W 2.519(2) . ?
N H22 0.79(11) . ?
N H23 0.93(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
P C1 Si1 112.4(4) . . ?
P C1 Si2 113.4(4) . . ?
Si1 C1 Si2 115.8(4) . . ?
P C1 H1A 104.6 . . ?
Si1 C1 H1A 104.6 . . ?
Si2 C1 H1A 104.6 . . ?
Si1 C2 H2A 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
Si1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si1 C3 H3A 109.5 . . ?
Si1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
Si1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si1 C4 H4A 109.5 . . ?
Si1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
Si1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si2 C5 H5A 109.5 . . ?
Si2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
Si2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si2 C6 H6A 109.5 . . ?
Si2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si2 C7 H7A 109.5 . . ?
Si2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
O2 C8 W 179.8(11) . . ?
O3 C9 W 178.4(8) . . ?
O4 C10 W 175.9(8) . . ?
O5 C11 W 176.6(8) . . ?
O6 C12 W 175.3(8) . . ?
C18 C13 N 105.5(9) . . ?
C18 C13 C14 110.2(9) . . ?
N C13 C14 109.0(8) . . ?
C18 C13 C19 108.4(10) . . ?
N C13 C19 111.0(9) . . ?
C14 C13 C19 112.4(9) . . ?
C15 C14 C13 112.5(9) . . ?
C15 C14 H14A 109.1 . . ?
C13 C14 H14A 109.1 . . ?
C15 C14 H14B 109.1 . . ?
C13 C14 H14B 109.1 . . ?
H14A C14 H14B 107.8 . . ?
C14 C15 C16 110.8(9) . . ?
C14 C15 H15A 109.5 . . ?
C16 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C16 C15 H15B 109.5 . . ?
H15A C15 H15B 108.1 . . ?
C15 C16 C17 114.0(9) . . ?
C15 C16 H16A 108.7 . . ?
C17 C16 H16A 108.7 . . ?
C15 C16 H16B 108.7 . . ?
C17 C16 H16B 108.7 . . ?
H16A C16 H16B 107.6 . . ?
C21 C17 C20 109.7(9) . . ?
C21 C17 N 110.4(8) . . ?
C20 C17 N 105.2(8) . . ?
C21 C17 C16 113.0(8) . . ?
C20 C17 C16 110.9(8) . . ?
N C17 C16 107.3(8) . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C13 C19 H19A 109.5 . . ?
C13 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C13 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C17 C21 H21A 109.5 . . ?
C17 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C17 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O1 P F 101.5(4) . . ?
O1 P C1 108.1(4) . . ?
F P C1 100.1(3) . . ?
O1 P W 122.8(3) . . ?
F P W 104.3(2) . . ?
C1 P W 116.1(3) . . ?
C4 Si1 C3 111.6(5) . . ?
C4 Si1 C2 107.2(5) . . ?
C3 Si1 C2 106.4(5) . . ?
C4 Si1 C1 108.3(4) . . ?
C3 Si1 C1 111.6(4) . . ?
C2 Si1 C1 111.7(4) . . ?
C7 Si2 C6 111.6(5) . . ?
C7 Si2 C1 112.0(5) . . ?
C6 Si2 C1 111.3(4) . . ?
C7 Si2 C5 104.7(6) . . ?
C6 Si2 C5 107.4(5) . . ?
C1 Si2 C5 109.6(5) . . ?
C8 W C11 87.4(4) . . ?
C8 W C12 95.4(4) . . ?
C11 W C12 91.4(4) . . ?
C8 W C9 90.2(4) . . ?
C11 W C9 176.3(4) . . ?
C12 W C9 91.6(4) . . ?
C8 W C10 93.4(4) . . ?
C11 W C10 88.1(4) . . ?
C12 W C10 171.2(4) . . ?
C9 W C10 89.3(4) . . ?
C8 W P 176.5(3) . . ?
C11 W P 95.4(3) . . ?
C12 W P 86.7(3) . . ?
C9 W P 86.9(3) . . ?
C10 W P 84.6(2) . . ?
C13 N C17 119.8(8) . . ?
C13 N H22 106(8) . . ?
C17 N H22 106(8) . . ?
C13 N H23 108(8) . . ?
C17 N H23 111(8) . . ?
H22 N H23 105(10) . . ?

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
C18 C13 C14 C15 166.7(10) . . . . ?
N C13 C14 C15 51.3(12) . . . . ?
C19 C13 C14 C15 -72.3(13) . . . . ?
C13 C14 C15 C16 -56.8(12) . . . . ?
C14 C15 C16 C17 57.1(12) . . . . ?
C15 C16 C17 C21 71.7(13) . . . . ?
C15 C16 C17 C20 -164.7(10) . . . . ?
C15 C16 C17 N -50.3(11) . . . . ?
Si1 C1 P O1 42.8(5) . . . . ?
Si2 C1 P O1 -90.9(5) . . . . ?
Si1 C1 P F 148.6(4) . . . . ?
Si2 C1 P F 14.9(5) . . . . ?
Si1 C1 P W -99.8(4) . . . . ?
Si2 C1 P W 126.5(4) . . . . ?
P C1 Si1 C4 153.2(5) . . . . ?
Si2 C1 Si1 C4 -74.3(6) . . . . ?
P C1 Si1 C3 -83.6(5) . . . . ?
Si2 C1 Si1 C3 48.9(6) . . . . ?
P C1 Si1 C2 35.4(6) . . . . ?
Si2 C1 Si1 C2 167.9(5) . . . . ?
P C1 Si2 C7 -71.6(6) . . . . ?
Si1 C1 Si2 C7 156.4(5) . . . . ?
P C1 Si2 C6 54.1(6) . . . . ?
Si1 C1 Si2 C6 -77.9(6) . . . . ?
P C1 Si2 C5 172.8(6) . . . . ?
Si1 C1 Si2 C5 40.7(7) . . . . ?
O2 C8 W C11 93(100) . . . . ?
O2 C8 W C12 2(100) . . . . ?
O2 C8 W C9 -89(100) . . . . ?
O2 C8 W C10 -179(100) . . . . ?
O2 C8 W P -124(100) . . . . ?
O5 C11 W C8 37(15) . . . . ?
O5 C11 W C12 132(15) . . . . ?
O5 C11 W C9 -11(20) . . . . ?
O5 C11 W C10 -56(15) . . . . ?
O5 C11 W P -141(15) . . . . ?
O6 C12 W C8 -175(10) . . . . ?
O6 C12 W C11 98(10) . . . . ?
O6 C12 W C9 -85(10) . . . . ?
O6 C12 W C10 11(11) . . . . ?
O6 C12 W P 2(10) . . . . ?
O3 C9 W C8 14(37) . . . . ?
O3 C9 W C11 62(39) . . . . ?
O3 C9 W C12 -81(37) . . . . ?
O3 C9 W C10 108(37) . . . . ?
O3 C9 W P -168(37) . . . . ?
O4 C10 W C8 -155(12) . . . . ?
O4 C10 W C11 -68(12) . . . . ?
O4 C10 W C12 19(14) . . . . ?
O4 C10 W C9 114(12) . . . . ?
O4 C10 W P 27(12) . . . . ?
O1 P W C8 114(4) . . . . ?
F P W C8 -1(4) . . . . ?
C1 P W C8 -110(4) . . . . ?
O1 P W C11 -104.3(4) . . . . ?
F P W C11 141.5(3) . . . . ?
C1 P W C11 32.4(4) . . . . ?
O1 P W C12 -13.2(4) . . . . ?
F P W C12 -127.4(3) . . . . ?
C1 P W C12 123.4(4) . . . . ?
O1 P W C9 78.5(5) . . . . ?
F P W C9 -35.7(4) . . . . ?
C1 P W C9 -144.8(4) . . . . ?
O1 P W C10 168.1(4) . . . . ?
F P W C10 53.9(3) . . . . ?
C1 P W C10 -55.2(4) . . . . ?
C18 C13 N C17 -168.3(8) . . . . ?
C14 C13 N C17 -49.9(11) . . . . ?
C19 C13 N C17 74.5(11) . . . . ?
C21 C17 N C13 -74.9(10) . . . . ?
C20 C17 N C13 166.9(8) . . . . ?
C16 C17 N C13 48.7(10) . . . . ?

_diffrn_measured_fraction_theta_max 0.983
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.983
_refine_diff_density_max         3.435
_refine_diff_density_min         -2.037
_refine_diff_density_rms         0.257

#END---------------------------------------------------------------------------
_database_code_depnum_ccdc_archive 'CCDC 1016740'
