data_2200337
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2001
_journal_volume  57
_journal_page_first  m218
_journal_page_last  m219
_publ_section_title
;
A chelate-stabilized tungsten--bis(imido) complex
;
loop_
_publ_author_name
  'Mills, Ryan C.'
  'Boncella, James M.'
  'Abboud, Khalil A.'
_chemical_formula_moiety  'C44 H64 N4 Si2 W'
_chemical_formula_sum  'C44 H64 N4 Si2 W'
_chemical_formula_iupac  '[W (C12 H17 N)2 (C20 H30 N2 Si2)]'
_chemical_formula_weight  889.02
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y-1/2, z-1/2'
_cell_length_a  17.480(2)
_cell_length_b  11.443(2)
_cell_length_c  21.889(3)
_cell_angle_alpha  90.00
_cell_angle_beta  91.95(2)
_cell_angle_gamma  90.00
_cell_volume  4376.0(10)
_cell_formula_units_Z  4
_cell_measurement_temperature  173(2)
_exptl_crystal_density_diffrn  1.350
_diffrn_ambient_temperature  173(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  W  .242359(5)  .213596(8)  .121051(4)  .02100(3) Uani d . 1 . . W
  Si1  .34213(4)  .07492(7)  .23766(3)  .03080(16) Uani d . 1 . . Si
  Si2  .05731(4)  .23375(7)  .06547(3)  .03157(16) Uani d . 1 . . Si
  N1  .26267(10)  .14596(17)  .20305(8)  .0238(4) Uani d . 1 . . N
  N2  .13814(10)  .16028(18)  .09551(9)  .0258(4) Uani d . 1 . . N
  N3  .24042(11)  .36752(18)  .12039(9)  .0256(4) Uani d . 1 . . N
  N4  .31732(10)  .16471(18)  .07494(9)  .0259(4) Uani d . 1 . . N
  C1  .19477(13)  .1618(2)  .23755(10)  .0234(5) Uani d . 1 . . C
  C2  .12825(13)  .0951(2)  .22292(11)  .0243(5) Uani d . 1 . . C
  C3  .12946(12)  .0047(2)  .17353(12)  .0269(5) Uani d . 1 . . C
  C4  .13361(12)  .0381(2)  .11182(12)  .0270(5) Uani d . 1 . . C
  C5  .19429(14)  .2427(2)  .28523(11)  .0306(6) Uani d . 1 . . C
  H5A  .2388  .2876  .2949  .037 Uiso calc R 1 . . H
  C6  .12921(15)  .2578(2)  .31842(12)  .0386(7) Uani d . 1 . . C
  H6A  .1292  .3125  .3511  .046 Uiso calc R 1 . . H
  C7  .06435(15)  .1937(2)  .30429(12)  .0376(7) Uani d . 1 . . C
  H7A  .0199  .2054  .3273  .045 Uiso calc R 1 . . H
  C8  .06240(13)  .1121(2)  .25697(11)  .0295(5) Uani d . 1 . . C
  C9  -.01099(14)  .0452(3)  .24449(13)  .0396(7) Uani d . 1 . . C
  H9A  -.0216  -.0043  .2798  .059 Uiso calc R 1 . . H
  H9B  -.0057  -.0039  .2082  .059 Uiso calc R 1 . . H
  H9C  -.0533  .1003  .2374  .059 Uiso calc R 1 . . H
  C10  .12011(18)  -.1568(3)  .25357(14)  .0468(7) Uani d . 1 . . C
  H10A  .0670  -.1791  .2605  .070 Uiso calc R 1 . . H
  H10B  .1355  -.0940  .2819  .070 Uiso calc R 1 . . H
  H10C  .1535  -.2246  .2605  .070 Uiso calc R 1 . . H
  C11  .12686(14)  -.1148(2)  .18873(13)  .0343(6) Uani d . 1 . . C
  C12  .13003(15)  -.1970(2)  .14176(15)  .0414(7) Uani d . 1 . . C
  H12A  .1304  -.2778  .1517  .050 Uiso calc R 1 . . H
  C13  .13261(14)  -.1642(3)  .08168(15)  .0426(7) Uani d . 1 . . C
  H13A  .1336  -.2221  .0506  .051 Uiso calc R 1 . . H
  C14  .13384(14)  -.0470(2)  .06624(13)  .0362(6) Uani d . 1 . . C
  H14A  .1348  -.0245  .0245  .043 Uiso calc R 1 . . H
  C15  .39711(15)  -.0022(2)  .17859(13)  .0382(6) Uani d . 1 . . C
  H15A  .3627  -.0538  .1548  .057 Uiso calc R 1 . . H
  H15B  .4378  -.0488  .1985  .057 Uiso calc R 1 . . H
  H15C  .4198  .0552  .1514  .057 Uiso calc R 1 . . H
  C16  .40379(17)  .1812(3)  .28036(15)  .0542(9) Uani d . 1 . . C
  H16A  .4184  .2444  .2529  .081 Uiso calc R 1 . . H
  H16B  .4499  .1415  .2964  .081 Uiso calc R 1 . . H
  H16C  .3756  .2138  .3144  .081 Uiso calc R 1 . . H
  C17  .30563(18)  -.0369(3)  .29123(14)  .0534(9) Uani d . 1 . . C
  H17A  .2680  -.0010  .3176  .080 Uiso calc R 1 . . H
  H17B  .3483  -.0679  .3165  .080 Uiso calc R 1 . . H
  H17C  .2814  -.1007  .2678  .080 Uiso calc R 1 . . H
  C18  .05789(15)  .2421(3)  -.01960(12)  .0382(7) Uani d . 1 . . C
  H18A  .1063  .2763  -.0321  .057 Uiso calc R 1 . . H
  H18B  .0152  .2909  -.0346  .057 Uiso calc R 1 . . H
  H18C  .0525  .1633  -.0368  .057 Uiso calc R 1 . . H
  C19  -.03001(15)  .1514(3)  .08653(14)  .0517(8) Uani d . 1 . . C
  H19A  -.0258  .0701  .0728  .077 Uiso calc R 1 . . H
  H19B  -.0753  .1875  .0668  .077 Uiso calc R 1 . . H
  H19C  -.0348  .1531  .1310  .077 Uiso calc R 1 . . H
  C20  .05341(17)  .3827(3)  .09911(15)  .0518(8) Uani d . 1 . . C
  H20A  .0563  .3770  .1438  .078 Uiso calc R 1 . . H
  H20B  .0053  .4206  .0861  .078 Uiso calc R 1 . . H
  H20C  .0966  .4290  .0851  .078 Uiso calc R 1 . . H
  C21  .26532(13)  .4816(2)  .10875(12)  .0272(5) Uani d . 1 . . C
  C22  .29862(13)  .5492(2)  .15720(12)  .0297(5) Uani d . 1 . . C
  C23  .32310(15)  .6613(2)  .14487(13)  .0379(6) Uani d . 1 . . C
  H23A  .3449  .7076  .1770  .045 Uiso calc R 1 . . H
  C24  .31638(16)  .7075(2)  .08637(14)  .0420(7) Uani d . 1 . . C
  H24A  .3337  .7846  .0787  .050 Uiso calc R 1 . . H
  C25  .28472(15)  .6418(2)  .03953(13)  .0392(6) Uani d . 1 . . C
  H25A  .2805  .6744  -.0004  .047 Uiso calc R 1 . . H
  C26  .25864(14)  .5283(2)  .04907(12)  .0315(6) Uani d . 1 . . C
  C27  .30473(14)  .4994(2)  .22135(12)  .0332(6) Uani d . 1 . . C
  H27A  .2995  .4126  .2180  .040 Uiso calc R 1 . . H
  C28  .23899(18)  .5437(3)  .25840(15)  .0581(9) Uani d . 1 . . C
  H28A  .2427  .6288  .2626  .087 Uiso calc R 1 . . H
  H28B  .2415  .5076  .2990  .087 Uiso calc R 1 . . H
  H28C  .1903  .5234  .2375  .087 Uiso calc R 1 . . H
  C29  .38150(18)  .5250(3)  .25397(15)  .0604(9) Uani d . 1 . . C
  H29A  .4232  .4982  .2286  .091 Uiso calc R 1 . . H
  H29B  .3842  .4839  .2933  .091 Uiso calc R 1 . . H
  H29C  .3865  .6093  .2610  .091 Uiso calc R 1 . . H
  C30  .22640(16)  .4585(2)  -.00511(13)  .0390(7) Uani d . 1 . . C
  H30A  .2015  .3869  .0113  .047 Uiso calc R 1 . . H
  C31  .16538(19)  .5264(3)  -.04243(16)  .0566(9) Uani d . 1 . . C
  H31A  .1249  .5517  -.0155  .085 Uiso calc R 1 . . H
  H31B  .1434  .4759  -.0746  .085 Uiso calc R 1 . . H
  H31C  .1888  .5950  -.0610  .085 Uiso calc R 1 . . H
  C32  .2900(2)  .4189(3)  -.04610(14)  .0534(8) Uani d . 1 . . C
  H32A  .3158  .4875  -.0627  .080 Uiso calc R 1 . . H
  H32B  .2682  .3719  -.0798  .080 Uiso calc R 1 . . H
  H32C  .3271  .3718  -.0222  .080 Uiso calc R 1 . . H
  C33  .37699(13)  .1632(2)  .03416(11)  .0262(5) Uani d . 1 . . C
  C34  .44129(13)  .2368(2)  .04298(12)  .0307(6) Uani d . 1 . . C
  C35  .49735(14)  .2346(3)  -.00107(13)  .0393(7) Uani d . 1 . . C
  H35A  .5405  .2846  .0035  .047 Uiso calc R 1 . . H
  C36  .49119(15)  .1612(3)  -.05101(13)  .0456(7) Uani d . 1 . . C
  H36A  .5298  .1613  -.0805  .055 Uiso calc R 1 . . H
  C37  .42892(15)  .0875(3)  -.05817(13)  .0415(7) Uani d . 1 . . C
  H37A  .4260  .0361  -.0922  .050 Uiso calc R 1 . . H
  C38  .37072(13)  .0869(2)  -.01683(11)  .0289(5) Uani d . 1 . . C
  C39  .45264(14)  .3165(2)  .09811(12)  .0360(6) Uani d . 1 . . C
  H39A  .4053  .3128  .1224  .043 Uiso calc R 1 . . H
  C40  .46532(17)  .4440(3)  .07982(15)  .0497(8) Uani d . 1 . . C
  H40A  .5127  .4503  .0574  .075 Uiso calc R 1 . . H
  H40B  .4693  .4926  .1166  .075 Uiso calc R 1 . . H
  H40C  .4221  .4707  .0538  .075 Uiso calc R 1 . . H
  C41  .52007(17)  .2749(3)  .13924(14)  .0500(8) Uani d . 1 . . C
  H41A  .5125  .1928  .1502  .075 Uiso calc R 1 . . H
  H41B  .5231  .3225  .1765  .075 Uiso calc R 1 . . H
  H41C  .5678  .2828  .1173  .075 Uiso calc R 1 . . H
  C42  .29956(14)  .0136(2)  -.02716(11)  .0307(6) Uani d . 1 . . C
  H42A  .2794  -.0066  .0137  .037 Uiso calc R 1 . . H
  C43  .23859(15)  .0864(2)  -.06168(13)  .0391(6) Uani d . 1 . . C
  H43A  .2254  .1545  -.0370  .059 Uiso calc R 1 . . H
  H43B  .1928  .0386  -.0695  .059 Uiso calc R 1 . . H
  H43C  .2586  .1127  -.1006  .059 Uiso calc R 1 . . H
  C44  .31307(17)  -.1003(2)  -.06154(13)  .0421(7) Uani d . 1 . . C
  H44A  .3299  -.0825  -.1028  .063 Uiso calc R 1 . . H
  H44B  .2654  -.1453  -.0643  .063 Uiso calc R 1 . . H
  H44C  .3526  -.1461  -.0396  .063 Uiso calc R 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  W  .01893(4)  .02514(5)  .01897(5)  -.00132(5)  .00112(3)  -.00114(5)
  Si1  .0266(3)  .0400(4)  .0256(4)  .0082(3)  -.0016(3)  -.0017(3)
  Si2  .0224(3)  .0432(4)  .0290(4)  .0002(3)  -.0010(3)  -.0008(3)
  N1  .0214(9)  .0285(11)  .0217(10)  .0013(8)  .0030(8)  -.0021(8)
  N2  .0212(9)  .0307(11)  .0256(11)  -.0028(9)  .0010(8)  -.0016(9)
  N3  .0203(8)  .0302(10)  .0263(10)  .0015(9)  -.0017(8)  .0023(10)
  N4  .0229(9)  .0323(11)  .0225(10)  -.0007(9)  -.0004(8)  -.0002(9)
  C1  .0245(11)  .0250(12)  .0208(12)  .0013(10)  .0033(9)  .0021(10)
  C2  .0240(11)  .0263(12)  .0227(12)  .0020(10)  .0018(10)  .0044(10)
  C3  .0187(10)  .0274(13)  .0348(14)  -.0014(10)  .0022(10)  -.0019(11)
  C4  .0177(10)  .0296(13)  .0336(14)  -.0037(10)  .0020(10)  -.0061(11)
  C5  .0314(12)  .0348(14)  .0258(13)  .0022(11)  .0026(10)  -.0020(10)
  C6  .0412(14)  .0472(17)  .0277(14)  .0065(13)  .0063(12)  -.0099(12)
  C7  .0320(13)  .0522(18)  .0292(14)  .0068(13)  .0108(11)  -.0007(12)
  C8  .0255(11)  .0345(14)  .0285(13)  .0015(11)  .0035(10)  .0065(11)
  C9  .0282(13)  .0496(18)  .0416(17)  -.0031(12)  .0100(12)  .0099(13)
  C10  .0538(18)  .0313(15)  .055(2)  .0005(14)  -.0030(15)  .0123(14)
  C11  .0248(12)  .0300(14)  .0480(17)  .0002(11)  .0009(12)  .0030(12)
  C12  .0297(13)  .0289(15)  .066(2)  -.0002(11)  .0034(14)  -.0080(14)
  C13  .0272(13)  .0390(16)  .062(2)  -.0049(12)  .0070(13)  -.0241(15)
  C14  .0260(12)  .0468(17)  .0361(15)  -.0088(12)  .0053(11)  -.0135(13)
  C15  .0325(13)  .0421(16)  .0401(16)  .0088(12)  .0013(12)  -.0041(13)
  C16  .0376(15)  .071(2)  .053(2)  .0079(15)  -.0142(15)  -.0209(17)
  C17  .0501(17)  .067(2)  .0433(19)  .0213(16)  .0051(15)  .0208(16)
  C18  .0319(12)  .0498(18)  .0327(14)  -.0032(12)  -.0045(11)  .0021(12)
  C19  .0256(13)  .078(2)  .0511(19)  -.0015(15)  .0017(13)  .0151(17)
  C20  .0419(16)  .055(2)  .058(2)  .0161(15)  -.0054(15)  -.0139(16)
  C21  .0225(11)  .0280(13)  .0312(14)  .0021(10)  .0021(10)  .0020(10)
  C22  .0249(11)  .0297(13)  .0344(14)  -.0004(11)  .0010(11)  -.0028(11)
  C23  .0358(14)  .0331(15)  .0446(17)  -.0075(12)  -.0004(13)  -.0062(13)
  C24  .0403(14)  .0287(14)  .0570(19)  -.0084(13)  .0032(14)  .0035(14)
  C25  .0393(14)  .0352(15)  .0430(17)  -.0047(13)  .0003(13)  .0091(13)
  C26  .0279(12)  .0320(14)  .0346(15)  -.0015(11)  -.0003(11)  .0023(11)
  C27  .0346(13)  .0321(14)  .0326(15)  -.0004(11)  -.0026(12)  -.0066(11)
  C28  .0587(19)  .068(2)  .049(2)  .0193(18)  .0166(16)  .0103(17)
  C29  .0510(18)  .084(3)  .045(2)  -.0069(18)  -.0142(16)  -.0018(18)
  C30  .0496(16)  .0350(15)  .0321(15)  -.0082(13)  -.0051(13)  .0073(12)
  C31  .058(2)  .059(2)  .052(2)  -.0016(17)  -.0180(17)  .0096(17)
  C32  .075(2)  .0503(19)  .0343(17)  .0027(17)  -.0029(16)  -.0020(14)
  C33  .0226(11)  .0337(13)  .0223(12)  .0032(10)  .0012(10)  .0022(10)
  C34  .0247(11)  .0383(15)  .0290(13)  .0028(11)  .0019(10)  -.0007(11)
  C35  .0251(11)  .0539(18)  .0391(15)  -.0042(12)  .0066(11)  -.0042(13)
  C36  .0315(13)  .072(2)  .0341(16)  -.0029(14)  .0141(12)  -.0045(15)
  C37  .0344(13)  .0608(19)  .0296(15)  .0002(14)  .0063(12)  -.0129(13)
  C38  .0280(12)  .0351(14)  .0235(13)  .0033(11)  .0020(10)  .0004(11)
  C39  .0252(12)  .0460(17)  .0371(15)  -.0050(11)  .0063(11)  -.0098(12)
  C40  .0430(16)  .0473(19)  .059(2)  -.0044(14)  .0092(15)  -.0080(15)
  C41  .0441(15)  .063(2)  .0427(17)  -.0107(16)  -.0072(14)  -.0094(16)
  C42  .0333(13)  .0373(15)  .0216(13)  -.0015(11)  .0018(11)  -.0014(11)
  C43  .0358(14)  .0403(16)  .0409(17)  .0029(13)  -.0048(13)  -.0023(13)
  C44  .0505(16)  .0373(16)  .0384(16)  .0010(13)  .0005(14)  -.0008(13)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  W N3 . 1.762(2) ?
  W N4 . 1.7716(19) ?
  W N1 . 1.9757(19) ?
  W N2 . 1.9835(18) ?
  Si1 N1 . 1.7585(19) ?
  Si1 C16 . 1.856(3) ?
  Si1 C15 . 1.860(3) ?
  Si1 C17 . 1.863(3) ?
  Si2 N2 . 1.753(2) ?
  Si2 C20 . 1.859(3) ?
  Si2 C18 . 1.865(3) ?
  Si2 C19 . 1.865(3) ?
  N1 C1 . 1.440(3) ?
  N2 C4 . 1.445(3) ?
  N3 C21 . 1.402(3) ?
  N4 C33 . 1.396(3) ?
  C1 C5 . 1.395(3) ?
  C1 C2 . 1.418(3) ?
  C2 C8 . 1.406(3) ?
  C2 C3 . 1.497(3) ?
  C3 C4 . 1.408(3) ?
  C3 C11 . 1.408(3) ?
  C4 C14 . 1.395(3) ?
  C5 C6 . 1.381(4) ?
  C5 H5A .  .9500 ?
  C6 C7 . 1.377(4) ?
  C6 H6A .  .9500 ?
  C7 C8 . 1.394(4) ?
  C7 H7A .  .9500 ?
  C8 C9 . 1.511(3) ?
  C9 H9A .  .9800 ?
  C9 H9B .  .9800 ?
  C9 H9C .  .9800 ?
  C10 C11 . 1.507(4) ?
  C10 H10A .  .9800 ?
  C10 H10B .  .9800 ?
  C10 H10C .  .9800 ?
  C11 C12 . 1.396(4) ?
  C12 C13 . 1.370(4) ?
  C12 H12A .  .9500 ?
  C13 C14 . 1.383(4) ?
  C13 H13A .  .9500 ?
  C14 H14A .  .9500 ?
  C15 H15A .  .9800 ?
  C15 H15B .  .9800 ?
  C15 H15C .  .9800 ?
  C16 H16A .  .9800 ?
  C16 H16B .  .9800 ?
  C16 H16C .  .9800 ?
  C17 H17A .  .9800 ?
  C17 H17B .  .9800 ?
  C17 H17C .  .9800 ?
  C18 H18A .  .9800 ?
  C18 H18B .  .9800 ?
  C18 H18C .  .9800 ?
  C19 H19A .  .9800 ?
  C19 H19B .  .9800 ?
  C19 H19C .  .9800 ?
  C20 H20A .  .9800 ?
  C20 H20B .  .9800 ?
  C20 H20C .  .9800 ?
  C21 C26 . 1.412(4) ?
  C21 C22 . 1.421(3) ?
  C22 C23 . 1.382(4) ?
  C22 C27 . 1.516(4) ?
  C23 C24 . 1.386(4) ?
  C23 H23A .  .9500 ?
  C24 C25 . 1.373(4) ?
  C24 H24A .  .9500 ?
  C25 C26 . 1.394(4) ?
  C25 H25A .  .9500 ?
  C26 C30 . 1.522(4) ?
  C27 C28 . 1.516(4) ?
  C27 C29 . 1.527(4) ?
  C27 H27A . 1.0000 ?
  C28 H28A .  .9800 ?
  C28 H28B .  .9800 ?
  C28 H28C .  .9800 ?
  C29 H29A .  .9800 ?
  C29 H29B .  .9800 ?
  C29 H29C .  .9800 ?
  C30 C32 . 1.522(4) ?
  C30 C31 . 1.533(4) ?
  C30 H30A . 1.0000 ?
  C31 H31A .  .9800 ?
  C31 H31B .  .9800 ?
  C31 H31C .  .9800 ?
  C32 H32A .  .9800 ?
  C32 H32B .  .9800 ?
  C32 H32C .  .9800 ?
  C33 C34 . 1.412(3) ?
  C33 C38 . 1.418(3) ?
  C34 C35 . 1.398(4) ?
  C34 C39 . 1.520(4) ?
  C35 C36 . 1.380(4) ?
  C35 H35A .  .9500 ?
  C36 C37 . 1.381(4) ?
  C36 H36A .  .9500 ?
  C37 C38 . 1.384(3) ?
  C37 H37A .  .9500 ?
  C38 C42 . 1.511(3) ?
  C39 C40 . 1.531(4) ?
  C39 C41 . 1.535(4) ?
  C39 H39A . 1.0000 ?
  C40 H40A .  .9800 ?
  C40 H40B .  .9800 ?
  C40 H40C .  .9800 ?
  C41 H41A .  .9800 ?
  C41 H41B .  .9800 ?
  C41 H41C .  .9800 ?
  C42 C44 . 1.528(4) ?
  C42 C43 . 1.531(3) ?
  C42 H42A . 1.0000 ?
  C43 H43A .  .9800 ?
  C43 H43B .  .9800 ?
  C43 H43C .  .9800 ?
  C44 H44A .  .9800 ?
  C44 H44B .  .9800 ?
  C44 H44C .  .9800 ?