data_2006031
_journal_name_full  'Acta Crystallographica'
_journal_year 1997
_journal_volume 	C53
_journal_page_first 	436
_journal_page_last 	438
_publ_section_title 	
;
 A Chelate-Stabilized Tungsten Imido Monoalkyl Complex,
[o-C~6~H~4~(NSiMe~3~)~2~](PhN)W(CH~2~CMe~3~)(Cl)
;
_chemical_formula_sum 	'C23 H38 Cl N3 Si2 W'
_chemical_formula_weight 	632.04
_symmetry_cell_setting 	'Triclinic'
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, -y, -z'
_symmetry_space_group_name_H-M 	'P -1'
_cell_length_a 	9.3531(1)
_cell_length_b 	11.2640(2)
_cell_length_c 	14.1166(2)
_cell_angle_alpha 	96.705(1)
_cell_angle_beta 	93.814(1)
_cell_angle_gamma 	111.296(1)
_cell_volume 	1366.63(3)
_cell_formula_units_Z 	2
_exptl_crystal_density_diffrn 	1.536
_cell_measurement_temperature 	173(2)
_refine_ls_R_factor_obs 	0.034
_refine_ls_wR_factor_obs 	0.0850
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 W 1 0.43072(2) 0.31367(2) 0.23552(1) 0.0206(1)
 Cl 1 0.6426(2) 0.3169(1) 0.1448(1) 0.0398(3)
 Si1 1 0.0901(1) 0.2537(1) 0.3413(1) 0.0247(2)
 Si2 1 0.6712(2) 0.6319(1) 0.2355(1) 0.0294(3)
 N1 1 0.2379(4) 0.3321(3) 0.2695(3) 0.0223(7)
 N2 1 0.4915(4) 0.5012(3) 0.2222(3) 0.0233(7)
 N3 1 0.4890(4) 0.2516(4) 0.3317(3) 0.0260(8)
 C1 1 0.5683(5) 0.2318(5) 0.4112(3) 0.0266(9)
 C2 1 0.6043(6) 0.1228(5) 0.4084(4) 0.0350(11)
 H2A 1 0.5738(6) 0.0619(5) 0.3530(4) 0.042
 C3 1 0.6857(7) 0.1030(6) 0.4873(5) 0.0467(14)
 H3A 1 0.7122(7) 0.0308(6) 0.4839(5) 0.056
 C4 1 0.7265(7) 0.1904(7) 0.5703(4) 0.050(2)
 H4A 1 0.7789(7) 0.1762(7) 0.6234(4) 0.060
 C5 1 0.6910(7) 0.2983(7) 0.5754(4) 0.049(2)
 H5A 1 0.7199(7) 0.3571(7) 0.6319(4) 0.058
 C6 1 0.6110(6) 0.3210(5) 0.4960(4) 0.0354(11)
 H6A 1 0.5867(6) 0.3943(5) 0.4997(4) 0.043
 C7 1 0.2155(5) 0.4179(4) 0.2104(3) 0.0226(8)
 C8 1 0.0716(5) 0.4213(5) 0.1770(3) 0.0288(9)
 H8A 1 -0.0192(5) 0.3625(5) 0.1933(3) 0.035
 C9 1 0.0652(6) 0.5113(5) 0.1205(4) 0.0342(10)
 H9A 1 -0.0295(6) 0.5153(5) 0.1005(4) 0.041
 C10 1 0.2004(7) 0.5963(5) 0.0931(4) 0.0378(11)
 H10A 1 0.1947(7) 0.6559(5) 0.0541(4) 0.045
 C11 1 0.3405(6) 0.5939(4) 0.1221(3) 0.0286(9)
 H11A 1 0.4290(6) 0.6499(4) 0.1014(3) 0.034
 C12 1 0.3530(5) 0.5071(4) 0.1836(3) 0.0231(8)
 C13 1 0.1697(7) 0.1749(6) 0.4279(4) 0.0385(11)
 H13A 1 0.2013(7) 0.1118(6) 0.3933(4) 0.058
 H13B 1 0.0918(7) 0.1335(6) 0.4671(4) 0.058
 H13C 1 0.2571(7) 0.2386(6) 0.4679(4) 0.058
 C14 1 -0.0799(6) 0.1303(5) 0.2618(4) 0.0375(11)
 H14A 1 -0.1203(6) 0.1719(5) 0.2173(4) 0.056
 H14B 1 -0.1585(6) 0.0884(5) 0.3004(4) 0.056
 H14C 1 -0.0481(6) 0.0676(5) 0.2270(4) 0.056
 C15 1 0.0293(6) 0.3755(5) 0.4088(4) 0.0321(10)
 H15A 1 -0.0119(6) 0.4166(5) 0.3644(4) 0.048
 H15B 1 0.1169(6) 0.4391(5) 0.4489(4) 0.048
 H15C 1 -0.0484(6) 0.3339(5) 0.4481(4) 0.048
 C16 1 0.8075(7) 0.5956(6) 0.3185(5) 0.0448(13)
 H16A 1 0.8217(7) 0.5193(6) 0.2904(5) 0.067
 H16B 1 0.7661(7) 0.5819(6) 0.3784(5) 0.067
 H16C 1 0.9052(7) 0.6668(6) 0.3294(5) 0.067
 C17 1 0.7459(7) 0.6588(6) 0.1170(4) 0.0426(13)
 H17A 1 0.6734(7) 0.6773(6) 0.0757(4) 0.064
 H17B 1 0.7593(7) 0.5827(6) 0.0879(4) 0.064
 H17C 1 0.8433(7) 0.7302(6) 0.1265(4) 0.064
 C18 1 0.6471(8) 0.7806(5) 0.2928(5) 0.0470(14)
 H18A 1 0.5770(8) 0.8012(5) 0.2511(5) 0.071
 H18B 1 0.7456(8) 0.8509(5) 0.3038(5) 0.071
 H18C 1 0.6065(8) 0.7660(5) 0.3529(5) 0.071
 C19 1 0.2907(6) 0.1539(5) 0.1246(3) 0.0284(9)
 H19A 1 0.1859(6) 0.1513(5) 0.1246(3) 0.034
 H19B 1 0.3238(6) 0.1801(5) 0.0641(3) 0.034
 C20 1 0.2778(6) 0.0127(5) 0.1190(4) 0.0337(10)
 C21 1 0.1843(9) -0.0608(6) 0.0228(5) 0.054(2)
 H21A 1 0.2359(9) -0.0222(6) -0.0288(5) 0.081
 H21B 1 0.0832(9) -0.0572(6) 0.0200(5) 0.081
 H21C 1 0.1753(9) -0.1491(6) 0.0170(5) 0.081
 C22 1 0.1956(9) -0.0489(6) 0.2007(5) 0.052(2)
 H22A 1 0.0958(9) -0.0426(6) 0.1992(5) 0.078
 H22B 1 0.2557(9) -0.0048(6) 0.2610(5) 0.078
 H22C 1 0.1834(9) -0.1379(6) 0.1935(5) 0.078
 C23 1 0.4358(7) 0.0009(6) 0.1238(4) 0.0415(12)
 H23A 1 0.4900(7) 0.0391(6) 0.0729(4) 0.062
 H23B 1 0.4222(7) -0.0884(6) 0.1171(4) 0.062
 H23C 1 0.4945(7) 0.0447(6) 0.1845(4) 0.062
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
 W N1 . 1.973(4)
 W N2 . 2.013(4)
 W N3 . 1.741(4)
 W C19 . 2.182(5)
 W Cl . 2.422(1)
 Si1 N1 . 1.796(4)
 Si1 C13 . 1.856(5)
 Si1 C15 . 1.857(5)
 Si1 C14 . 1.874(5)
 Si2 N2 . 1.768(4)
 Si2 C16 . 1.860(6)
 Si2 C18 . 1.869(6)
 Si2 C17 . 1.870(6)
 N1 C7 . 1.410(5)
 N2 C12 . 1.399(6)
 N3 C1 . 1.388(6)
 C1 C2 . 1.383(7)
 C1 C6 . 1.402(7)
 C2 C3 . 1.393(7)
 C2 H2A . 0.93
 C3 C4 . 1.373(10)
 C3 H3A . 0.93
 C4 C5 . 1.366(10)
 C4 H4A . 0.93
 C5 C6 . 1.405(8)
 C5 H5A . 0.93
 C6 H6A . 0.93
 C7 C8 . 1.411(6)
 C7 C12 . 1.422(6)
 C8 C9 . 1.377(7)
 C8 H8A . 0.93
 C9 C10 . 1.392(8)
 C9 H9A . 0.93
 C10 C11 . 1.358(7)
 C10 H10A . 0.93
 C11 C12 . 1.410(6)
 C11 H11A . 0.93
 C13 H13A . 0.96
 C13 H13B . 0.96
 C13 H13C . 0.96
 C14 H14A . 0.96
 C14 H14B . 0.96
 C14 H14C . 0.96
 C15 H15A . 0.96
 C15 H15B . 0.96
 C15 H15C . 0.96
 C16 H16A . 0.96
 C16 H16B . 0.96
 C16 H16C . 0.96
 C17 H17A . 0.96
 C17 H17B . 0.96
 C17 H17C . 0.96
 C18 H18A . 0.96
 C18 H18B . 0.96
 C18 H18C . 0.96
 C19 C20 . 1.543(6)
 C19 H19A . 0.97
 C19 H19B . 0.97
 C20 C22 . 1.524(8)
 C20 C23 . 1.528(8)
 C20 C21 . 1.532(7)
 C21 H21A . 0.96
 C21 H21B . 0.96
 C21 H21C . 0.96
 C22 H22A . 0.96
 C22 H22B . 0.96
 C22 H22C . 0.96
 C23 H23A . 0.96
 C23 H23B . 0.96
 C23 H23C . 0.96
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
 W 0.02088(10) 0.00876(7) 0.00403(6) 0.01988(10) 0.00591(6) 0.02279(11)
 Cl 0.0368(6) 0.0185(5) 0.0258(6) 0.0389(6) 0.0127(6) 0.0520(7)
 Si1 0.0236(6) 0.0075(5) 0.0061(5) 0.0243(6) 0.0055(5) 0.0260(6)
 Si2 0.0245(6) 0.0050(5) 0.0057(5) 0.0257(6) 0.0087(5) 0.0357(7)
 N1 0.023(2) 0.0084(14) 0.0033(14) 0.022(2) 0.0034(13) 0.023(2)
 N2 0.018(2) 0.0033(13) 0.0049(14) 0.019(2) 0.0088(14) 0.032(2)
 N3 0.021(2) 0.015(2) 0.0048(15) 0.031(2) 0.007(2) 0.031(2)
 C1 0.021(2) 0.006(2) 0.003(2) 0.031(2) 0.011(2) 0.026(2)
 C2 0.032(2) 0.012(2) 0.004(2) 0.035(3) 0.014(2) 0.040(3)
 C3 0.040(3) 0.018(3) 0.004(3) 0.052(3) 0.031(3) 0.054(3)
 C4 0.036(3) 0.006(3) -0.001(2) 0.068(4) 0.033(3) 0.040(3)
 C5 0.037(3) 0.001(3) 0.002(2) 0.066(4) 0.010(3) 0.027(3)
 C6 0.033(3) 0.010(2) 0.005(2) 0.039(3) 0.005(2) 0.031(2)
 C7 0.024(2) 0.011(2) 0.000(2) 0.022(2) 0.002(2) 0.023(2)
 C8 0.023(2) 0.015(2) 0.004(2) 0.036(2) 0.006(2) 0.032(2)
 C9 0.031(2) 0.018(2) -0.002(2) 0.041(3) 0.007(2) 0.034(2)
 C10 0.051(3) 0.020(2) 0.000(2) 0.029(2) 0.010(2) 0.037(3)
 C11 0.032(2) 0.010(2) 0.003(2) 0.021(2) 0.008(2) 0.033(2)
 C12 0.027(2) 0.013(2) 0.002(2) 0.024(2) 0.003(2) 0.022(2)
 C13 0.043(3) 0.019(2) 0.015(2) 0.042(3) 0.016(2) 0.037(3)
 C14 0.028(2) 0.004(2) 0.004(2) 0.031(3) 0.003(2) 0.046(3)
 C15 0.031(2) 0.013(2) 0.011(2) 0.035(3) 0.005(2) 0.031(2)
 C16 0.031(3) 0.008(2) -0.005(2) 0.047(3) 0.012(3) 0.051(3)
 C17 0.039(3) 0.012(2) 0.016(2) 0.043(3) 0.019(2) 0.048(3)
 C18 0.048(3) 0.006(2) 0.013(3) 0.029(3) 0.004(2) 0.058(4)
 C19 0.036(2) 0.017(2) -0.002(2) 0.028(2) 0.000(2) 0.023(2)
 C20 0.042(3) 0.017(2) 0.001(2) 0.029(2) 0.002(2) 0.033(2)
 C21 0.069(4) 0.026(3) -0.024(3) 0.036(3) -0.013(3) 0.052(3)
 C22 0.072(4) 0.017(3) 0.014(3) 0.030(3) 0.013(3) 0.056(4)
 C23 0.051(3) 0.028(3) -0.003(2) 0.038(3) -0.004(2) 0.042(3)