#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:19:20 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178894 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/23/4112381.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4112381
loop_
_publ_author_name
'Benjamin V. Mork'
'T. Don Tilley'
_publ_section_title
;
 Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their
 Use for the Synthesis of High Oxidation-State Silylene Complexes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4375
_journal_page_last               4385
_journal_paper_doi               10.1021/ja030548g
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C46 H31 B F21 N P2 W'
_chemical_formula_weight         1258.36
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                114.902(1)
_cell_angle_beta                 110.473(1)
_cell_angle_gamma                94.868(1)
_cell_formula_units_Z            2
_cell_length_a                   12.822(1)
_cell_length_b                   14.878(1)
_cell_length_c                   15.005(1)
_cell_measurement_reflns_used    4907
_cell_measurement_temperature    115(1)
_cell_measurement_theta_max      45.0
_cell_measurement_theta_min      4.0
_cell_volume                     2339.8(3)
_computing_cell_refinement       'SAINT (Siemens)'
_computing_data_collection       'SMART (Siemens)'
_computing_data_reduction        'SAINT (Siemens)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      115(1)
_diffrn_measurement_device       'Siemens SMART diffractometer'
_diffrn_measurement_method       'omega scans, 0.3 deg'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0394
_diffrn_reflns_av_sigmaI/netI    0.0735
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11764
_diffrn_reflns_theta_max         24.73
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    2.656
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.07
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.779
_exptl_crystal_description       block
_exptl_crystal_F_000             1224
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.456
_refine_diff_density_min         -2.366
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.076
_refine_ls_goodness_of_fit_obs   1.118
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     657
_refine_ls_number_reflns         7425
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.076
_refine_ls_restrained_S_obs      1.118
_refine_ls_R_factor_all          0.0626
_refine_ls_R_factor_obs          0.0461
_refine_ls_shift/esd_max         0.003
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0619P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1171
_refine_ls_wR_factor_obs         0.1096
_reflns_number_observed          6125
_reflns_number_total             7425
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ja030548g_c2_1.cif
_cod_data_source_block           compound5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0619P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0619P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2340.1(4)
_cod_database_code               4112381
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
W1 W 0.05240(2) -0.02150(2) 0.16499(2) 0.02085(11) Uani 1 d .
P1 P -0.13433(15) 0.01651(14) 0.15097(15) 0.0222(4) Uani 1 d .
P2 P 0.1131(2) 0.16320(14) 0.29083(15) 0.0245(4) Uani 1 d .
N1 N 0.0148(4) -0.0061(4) 0.0397(4) 0.0173(12) Uani 1 d .
C1 C -0.0115(5) -0.1747(5) 0.1655(5) 0.0203(15) Uani 1 d .
C2 C 0.0512(6) -0.1957(5) 0.0993(5) 0.024(2) Uani 1 d .
C3 C 0.1691(6) -0.1340(5) 0.1658(6) 0.026(2) Uani 1 d .
C4 C 0.1781(6) -0.0748(6) 0.2755(6) 0.026(2) Uani 1 d .
C5 C 0.0703(6) -0.0988(5) 0.2760(5) 0.023(2) Uani 1 d .
C6 C -0.1315(6) -0.2330(5) 0.1290(6) 0.031(2) Uani 1 d .
H6A H -0.1584(15) -0.1990(20) 0.1852(16) 0.037 Uiso 1 calc R
H6B H -0.1329(9) -0.3034(11) 0.1162(34) 0.037 Uiso 1 calc R
H6C H -0.1823(9) -0.2350(29) 0.0616(20) 0.037 Uiso 1 calc R
C7 C 0.0010(7) -0.2765(6) -0.0174(6) 0.035(2) Uani 1 d .
H7A H -0.0786(15) -0.2756(24) -0.0543(10) 0.042 Uiso 1 calc R
H7B H 0.0009(37) -0.3443(7) -0.0223(6) 0.042 Uiso 1 calc R
H7C H 0.0476(24) -0.2626(21) -0.0521(11) 0.042 Uiso 1 calc R
C8 C 0.2659(7) -0.1406(6) 0.1326(6) 0.036(2) Uani 1 d .
H8A H 0.2990(26) -0.1950(24) 0.1411(36) 0.043 Uiso 1 calc R
H8B H 0.3257(19) -0.0745(13) 0.1784(25) 0.043 Uiso 1 calc R
H8C H 0.2368(10) -0.1565(35) 0.0564(12) 0.043 Uiso 1 calc R
C9 C 0.2930(6) -0.0151(7) 0.3720(6) 0.041(2) Uani 1 d .
H9A H 0.3366(18) 0.0312(28) 0.3585(17) 0.049 Uiso 1 calc R
H9B H 0.3368(18) -0.0630(7) 0.3839(24) 0.049 Uiso 1 calc R
H9C H 0.2805(6) 0.0254(30) 0.4365(10) 0.049 Uiso 1 calc R
C10 C 0.0475(7) -0.0688(6) 0.3746(6) 0.032(2) Uani 1 d .
H10A H 0.0771(35) -0.1102(24) 0.4089(21) 0.039 Uiso 1 calc R
H10B H -0.0360(7) -0.0808(33) 0.3533(7) 0.039 Uiso 1 calc R
H10C H 0.0864(32) 0.0043(10) 0.4261(16) 0.039 Uiso 1 calc R
C11 C 0.2008(8) 0.2111(6) 0.4342(6) 0.045(2) Uani 1 d .
H11A H 0.1619(22) 0.1765(29) 0.4615(11) 0.054 Uiso 1 calc R
H11B H 0.2117(37) 0.2855(9) 0.4738(8) 0.054 Uiso 1 calc R
H11C H 0.2764(18) 0.1972(35) 0.4447(7) 0.054 Uiso 1 calc R
C12 C 0.1956(6) 0.2372(6) 0.2560(6) 0.039(2) Uani 1 d .
H12A H 0.1508(18) 0.2220(28) 0.1809(14) 0.047 Uiso 1 calc R
H12B H 0.2685(19) 0.2187(26) 0.2630(37) 0.047 Uiso 1 calc R
H12C H 0.2121(34) 0.3108(6) 0.3051(25) 0.047 Uiso 1 calc R
C13 C -0.0098(6) 0.2180(6) 0.2890(7) 0.044(2) Uani 1 d .
H13A H -0.0277(6) 0.2228(6) 0.3496(7) 0.052 Uiso 1 calc R
H13B H 0.0104(6) 0.2883(6) 0.2989(7) 0.052 Uiso 1 calc R
C14 C -0.1161(6) 0.1501(5) 0.1806(7) 0.034(2) Uani 1 d .
H14A H -0.1054(6) 0.1579(5) 0.1217(7) 0.041 Uiso 1 calc R
H14B H -0.1859(6) 0.1715(5) 0.1853(7) 0.041 Uiso 1 calc R
C15 C -0.2574(6) -0.0531(6) 0.0180(6) 0.033(2) Uani 1 d .
H15A H -0.2827(25) -0.1251(10) 0.0001(17) 0.040 Uiso 1 calc R
H15B H -0.2346(12) -0.0505(30) -0.0369(8) 0.040 Uiso 1 calc R
H15C H -0.3210(15) -0.0213(22) 0.0195(12) 0.040 Uiso 1 calc R
C16 C -0.1935(6) 0.0137(6) 0.2439(6) 0.034(2) Uani 1 d .
H16A H -0.2109(36) -0.0565(9) 0.2330(26) 0.041 Uiso 1 calc R
H16B H -0.2646(22) 0.0360(34) 0.2298(25) 0.041 Uiso 1 calc R
H16C H -0.1368(17) 0.0603(27) 0.3189(6) 0.041 Uiso 1 calc R
C17 C -0.3460(5) 0.3174(5) 0.3038(5) 0.0207(15) Uani 1 d .
C18 C -0.4281(6) 0.2400(5) 0.2911(5) 0.023(2) Uani 1 d .
C19 C -0.4062(6) 0.1822(5) 0.3431(6) 0.027(2) Uani 1 d .
C20 C -0.2937(7) 0.2005(6) 0.4150(5) 0.028(2) Uani 1 d .
C21 C -0.2094(6) 0.2764(6) 0.4320(6) 0.029(2) Uani 1 d .
C22 C -0.2350(5) 0.3338(5) 0.3798(5) 0.0202(15) Uani 1 d .
C23 C -0.4526(5) 0.3063(5) 0.1038(5) 0.0190(14) Uani 1 d .
C24 C -0.4527(5) 0.2056(5) 0.0463(5) 0.023(2) Uani 1 d .
C25 C -0.5019(6) 0.1492(5) -0.0660(5) 0.025(2) Uani 1 d .
C26 C -0.5528(6) 0.1944(6) -0.1263(5) 0.026(2) Uani 1 d .
C27 C -0.5546(6) 0.2949(6) -0.0736(5) 0.027(2) Uani 1 d .
C28 C -0.5037(5) 0.3483(5) 0.0387(5) 0.023(2) Uani 1 d .
C29 C -0.2831(5) 0.4688(5) 0.2545(5) 0.0183(14) Uani 1 d .
C30 C -0.1945(6) 0.4356(5) 0.2266(5) 0.0204(15) Uani 1 d .
C31 C -0.1015(5) 0.4987(6) 0.2357(5) 0.023(2) Uani 1 d .
C32 C -0.0946(5) 0.6014(5) 0.2716(5) 0.0196(15) Uani 1 d .
C33 C -0.1802(5) 0.6388(5) 0.2978(5) 0.0181(14) Uani 1 d .
C34 C -0.2713(5) 0.5724(5) 0.2874(5) 0.0171(14) Uani 1 d .
C35 C -0.4780(5) 0.4372(5) 0.2867(5) 0.0167(14) Uani 1 d .
C36 C -0.4339(5) 0.5134(5) 0.3940(5) 0.0179(14) Uani 1 d .
C37 C -0.4965(6) 0.5676(5) 0.4443(5) 0.0193(14) Uani 1 d .
C38 C -0.6149(5) 0.5436(5) 0.3858(5) 0.0208(15) Uani 1 d .
C39 C -0.6655(5) 0.4655(5) 0.2800(5) 0.0198(15) Uani 1 d .
C40 C -0.5972(5) 0.4149(5) 0.2341(5) 0.0188(14) Uani 1 d .
C41 C -0.7909(8) 0.5734(7) 0.0840(8) 0.050(2) Uani 1 d .
C42 C -0.6759(10) 0.5928(9) 0.1116(10) 0.064(3) Uani 1 d .
C43 C -0.5998(9) 0.6626(10) 0.2154(11) 0.066(3) Uani 1 d .
C44 C -0.6423(8) 0.7140(9) 0.2929(9) 0.059(3) Uani 1 d .
C45 C -0.7614(7) 0.6926(7) 0.2642(8) 0.045(2) Uani 1 d .
C46 C -0.8380(7) 0.6219(6) 0.1590(7) 0.040(2) Uani 1 d .
B3 B -0.3897(6) 0.3815(6) 0.2378(6) 0.019(2) Uani 1 d .
F1 F -0.5396(3) 0.2170(3) 0.2202(3) 0.0271(9) Uani 1 d .
F2 F -0.4921(4) 0.1100(3) 0.3267(3) 0.0375(10) Uani 1 d .
F3 F -0.2692(4) 0.1441(4) 0.4665(3) 0.0430(12) Uani 1 d .
F4 F -0.0987(4) 0.2953(4) 0.5026(3) 0.0414(12) Uani 1 d .
F5 F -0.1459(3) 0.4098(3) 0.4070(3) 0.0298(9) Uani 1 d .
F6 F -0.4030(3) 0.1529(3) 0.0975(3) 0.0265(9) Uani 1 d .
F7 F -0.4998(3) 0.0501(3) -0.1165(3) 0.0336(10) Uani 1 d .
F8 F -0.6007(4) 0.1415(3) -0.2358(3) 0.0379(11) Uani 1 d .
F9 F -0.6068(3) 0.3407(3) -0.1308(3) 0.0345(10) Uani 1 d .
F10 F -0.5073(3) 0.4476(3) 0.0850(3) 0.0262(9) Uani 1 d .
F11 F -0.1958(3) 0.3349(3) 0.1893(3) 0.0258(9) Uani 1 d .
F12 F -0.0182(3) 0.4613(3) 0.2110(3) 0.0312(10) Uani 1 d .
F13 F -0.0061(3) 0.6647(3) 0.2799(3) 0.0298(9) Uani 1 d .
F14 F -0.1752(3) 0.7390(3) 0.3325(3) 0.0268(9) Uani 1 d .
F15 F -0.3519(3) 0.6176(3) 0.3124(3) 0.0209(8) Uani 1 d .
F16 F -0.3181(3) 0.5402(3) 0.4578(3) 0.0221(8) Uani 1 d .
F17 F -0.4463(3) 0.6447(3) 0.5473(3) 0.0279(9) Uani 1 d .
F18 F -0.6793(3) 0.5944(3) 0.4319(3) 0.0300(9) Uani 1 d .
F19 F -0.7812(3) 0.4391(3) 0.2224(3) 0.0246(9) Uani 1 d .
F20 F -0.6565(3) 0.3384(3) 0.1290(3) 0.0237(9) Uani 1 d .
F21 F -0.8621(6) 0.5035(6) -0.0125(6) 0.066(2) Uiso 0.75 d P
F21A F -0.5750(20) 0.7621(18) 0.3798(19) 0.065(6) Uiso 0.25 d P
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'
B B 0.0013 0.0007 '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'
P P 0.1023 0.0942 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
N1 W1 C4 144.6(2) .
N1 W1 C3 110.7(2) .
C4 W1 C3 36.4(2) .
N1 W1 C2 102.7(2) .
C4 W1 C2 59.3(2) .
C3 W1 C2 35.6(2) .
N1 W1 C5 160.7(2) .
C4 W1 C5 34.8(2) .
C3 W1 C5 59.7(2) .
C2 W1 C5 59.4(2) .
N1 W1 C1 125.1(2) .
C4 W1 C1 59.1(2) .
C3 W1 C1 59.8(2) .
C2 W1 C1 35.6(2) .
C5 W1 C1 36.1(2) .
N1 W1 P2 94.7(2) .
C4 W1 P2 99.3(2) .
C3 W1 P2 125.6(2) .
C2 W1 P2 158.6(2) .
C5 W1 P2 104.4(2) .
C1 W1 P2 136.8(2) .
N1 W1 P1 82.5(2) .
C4 W1 P1 132.1(2) .
C3 W1 P1 149.6(2) .
C2 W1 P1 116.3(2) .
C5 W1 P1 98.7(2) .
C1 W1 P1 90.1(2) .
P2 W1 P1 78.06(6) .
C16 P1 C14 101.6(4) .
C16 P1 C15 104.0(4) .
C14 P1 C15 103.2(4) .
C16 P1 W1 121.0(3) .
C14 P1 W1 107.2(2) .
C15 P1 W1 117.5(2) .
C12 P2 C11 103.2(4) .
C12 P2 C13 103.4(4) .
C11 P2 C13 103.4(4) .
C12 P2 W1 112.8(3) .
C11 P2 W1 119.9(3) .
C13 P2 W1 112.4(3) .
N1 N1 W1 176.0(7) 2
C2 C1 C5 107.1(6) .
C2 C1 C6 124.8(6) .
C5 C1 C6 127.4(6) .
C2 C1 W1 71.8(4) .
C5 C1 W1 71.8(4) .
C6 C1 W1 128.9(5) .
C3 C2 C1 109.0(6) .
C3 C2 C7 126.9(7) .
C1 C2 C7 123.8(6) .
C3 C2 W1 71.7(4) .
C1 C2 W1 72.6(4) .
C7 C2 W1 126.0(5) .
C2 C3 C4 106.3(6) .
C2 C3 C8 126.5(7) .
C4 C3 C8 126.7(6) .
C2 C3 W1 72.6(4) .
C4 C3 W1 71.5(4) .
C8 C3 W1 127.3(5) .
C5 C4 C3 109.6(6) .
C5 C4 C9 127.5(6) .
C3 C4 C9 121.9(6) .
C5 C4 W1 73.5(4) .
C3 C4 W1 72.1(4) .
C9 C4 W1 129.8(5) .
C4 C5 C1 108.0(6) .
C4 C5 C10 126.1(6) .
C1 C5 C10 124.9(6) .
C4 C5 W1 71.6(4) .
C1 C5 W1 72.2(3) .
C10 C5 W1 130.7(5) .
C14 C13 P2 110.2(5) .
C13 C14 P1 108.8(5) .
C18 C17 C22 112.6(6) .
C18 C17 B3 118.6(6) .
C22 C17 B3 128.7(6) .
F1 C18 C19 115.9(6) .
F1 C18 C17 118.5(6) .
C19 C18 C17 125.6(6) .
F2 C19 C18 121.2(6) .
F2 C19 C20 119.9(6) .
C18 C19 C20 118.8(7) .
F3 C20 C21 121.5(6) .
F3 C20 C19 120.2(7) .
C21 C20 C19 118.3(6) .
F4 C21 C20 118.9(6) .
F4 C21 C22 119.9(7) .
C20 C21 C22 121.2(6) .
F5 C22 C21 115.9(6) .
F5 C22 C17 120.7(6) .
C21 C22 C17 123.4(6) .
C24 C23 C28 113.6(6) .
C24 C23 B3 127.4(6) .
C28 C23 B3 118.8(6) .
F6 C24 C23 121.6(6) .
F6 C24 C25 114.2(6) .
C23 C24 C25 124.2(6) .
F7 C25 C26 119.7(6) .
F7 C25 C24 120.6(6) .
C26 C25 C24 119.6(6) .
F8 C26 C25 120.8(6) .
F8 C26 C27 120.3(7) .
C25 C26 C27 118.9(6) .
F9 C27 C26 120.3(6) .
F9 C27 C28 120.2(6) .
C26 C27 C28 119.5(7) .
F10 C28 C23 119.6(6) .
F10 C28 C27 116.1(6) .
C23 C28 C27 124.2(6) .
C34 C29 C30 112.4(6) .
C34 C29 B3 129.0(6) .
C30 C29 B3 118.5(6) .
F11 C30 C31 115.6(6) .
F11 C30 C29 119.6(6) .
C31 C30 C29 124.9(6) .
F12 C31 C32 119.8(6) .
F12 C31 C30 121.0(6) .
C32 C31 C30 119.1(6) .
F13 C32 C31 120.6(6) .
F13 C32 C33 120.3(6) .
C31 C32 C33 119.1(6) .
F14 C33 C32 119.9(6) .
F14 C33 C34 120.6(5) .
C32 C33 C34 119.5(6) .
F15 C34 C29 121.1(6) .
F15 C34 C33 114.0(5) .
C29 C34 C33 124.9(6) .
C36 C35 C40 112.4(6) .
C36 C35 B3 119.6(5) .
C40 C35 B3 128.0(6) .
F16 C36 C37 115.2(5) .
F16 C36 C35 119.1(5) .
C37 C36 C35 125.7(6) .
F17 C37 C36 122.2(6) .
F17 C37 C38 119.0(6) .
C36 C37 C38 118.7(6) .
F18 C38 C39 120.6(6) .
F18 C38 C37 120.7(6) .
C39 C38 C37 118.7(6) .
F19 C39 C38 119.7(6) .
F19 C39 C40 120.8(6) .
C38 C39 C40 119.5(6) .
F20 C40 C39 114.5(5) .
F20 C40 C35 120.7(5) .
C39 C40 C35 124.8(6) .
F21 C41 C42 119.5(9) .
F21 C41 C46 117.3(9) .
C42 C41 C46 123.0(10) .
C41 C42 C43 119.7(9) .
C42 C43 C44 119.5(9) .
F21A C44 C45 122.9(16) .
F21A C44 C43 115.9(15) .
C45 C44 C43 120.5(10) .
C46 C45 C44 119.7(9) .
C45 C46 C41 117.5(8) .
C17 B3 C35 103.5(5) .
C17 B3 C23 112.7(5) .
C35 B3 C23 113.2(5) .
C17 B3 C29 114.5(5) .
C35 B3 C29 111.1(5) .
C23 B3 C29 102.2(5) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 N1 1.888(5) .
W1 C4 2.330(7) .
W1 C3 2.339(7) .
W1 C2 2.350(7) .
W1 C5 2.354(6) .
W1 C1 2.360(6) .
W1 P2 2.442(2) .
W1 P1 2.465(2) .
P1 C16 1.817(7) .
P1 C14 1.819(7) .
P1 C15 1.823(7) .
P2 C12 1.810(8) .
P2 C11 1.811(7) .
P2 C13 1.832(8) .
N1 N1 1.216(10) 2
C1 C2 1.439(9) .
C1 C5 1.460(9) .
C1 C6 1.485(9) .
C2 C3 1.435(10) .
C2 C7 1.495(9) .
C3 C4 1.458(10) .
C3 C8 1.487(9) .
C4 C5 1.402(9) .
C4 C9 1.503(9) .
C5 C10 1.497(9) .
C13 C14 1.535(11) .
C17 C18 1.393(9) .
C17 C22 1.400(9) .
C17 B3 1.643(10) .
C18 F1 1.356(7) .
C18 C19 1.370(10) .
C19 F2 1.349(8) .
C19 C20 1.385(10) .
C20 F3 1.350(8) .
C20 C21 1.367(10) .
C21 F4 1.359(8) .
C21 C22 1.371(10) .
C22 F5 1.348(7) .
C23 C24 1.378(9) .
C23 C28 1.383(9) .
C23 B3 1.663(9) .
C24 F6 1.365(7) .
C24 C25 1.385(9) .
C25 F7 1.352(8) .
C25 C26 1.368(10) .
C26 F8 1.348(7) .
C26 C27 1.373(10) .
C27 F9 1.349(8) .
C27 C28 1.382(9) .
C28 F10 1.355(8) .
C29 C34 1.381(9) .
C29 C30 1.402(9) .
C29 B3 1.675(10) .
C30 F11 1.358(8) .
C30 C31 1.381(9) .
C31 F12 1.339(7) .
C31 C32 1.372(10) .
C32 F13 1.345(7) .
C32 C33 1.375(9) .
C33 F14 1.344(7) .
C33 C34 1.382(9) .
C34 F15 1.357(7) .
C35 C36 1.384(9) .
C35 C40 1.385(9) .
C35 B3 1.654(9) .
C36 F16 1.365(7) .
C36 C37 1.374(9) .
C37 F17 1.343(7) .
C37 C38 1.384(9) .
C38 F18 1.340(7) .
C38 C39 1.375(9) .
C39 F19 1.349(7) .
C39 C40 1.381(9) .
C40 F20 1.365(7) .
C41 F21 1.288(11) .
C41 C42 1.353(13) .
C41 C46 1.421(11) .
C42 C43 1.36(2) .
C43 C44 1.414(14) .
C44 F21A 1.13(2) .
C44 C45 1.400(12) .
C45 C46 1.380(12) .
