#------------------------------------------------------------------------------
#$Date: 2008-01-13 23:15:36 +0100 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2011454.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_2011454
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  e434
_journal_page_last  e434
_publ_section_title
;
Three different functions of a phosphinic amidato ligand in
LNi(LLi)(LH) {L = [^t^Bu~2~P(O)NEt]^-^}
;
loop_
_publ_author_name
  'Kuchen, Wilhelm'
  'Wunderlich, Hartmut'
_chemical_formula_sum  'C30 H70 Cl Li N3 Ni O3 P3'
_chemical_formula_iupac  '[Ni Li Cl (C10 H23 N O P)2 (C10 H24 N O P)]'
_chemical_formula_weight  714.90
_chemical_melting_point  '411 K'
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x-1/2, -y-1/2, z-1/2'
_cell_length_a  17.304(4)
_cell_length_b  13.055(3)
_cell_length_c  19.444(4)
_cell_angle_alpha  90.00
_cell_angle_beta  105.80(2)
_cell_angle_gamma  90.00
_cell_volume  4226.5(16)
_cell_formula_units_Z  4
_cell_measurement_temperature  300(2)
_exptl_crystal_density_diffrn  1.123
_diffrn_ambient_temperature  300(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
  Ni  .49195(3)  .25328(3)  .24165(2)  .05097(16) Uani d . 1 A . Ni
  Cl  .47929(7)  .33689(9)  .33989(6)  .0859(4) Uani d . 1 . . Cl
  P1  .53799(6)  .02397(7)  .27524(5)  .0490(2) Uani d . 1 . . P
  P2  .41961(6)  .29768(7)  .10564(5)  .0549(3) Uani d . 1 A . P
  P3  .23061(6)  -.07070(8)  .06790(6)  .0614(3) Uani d . 1 B . P
  O1  .46586(15)  .00754(17)  .21335(13)  .0648(7) Uani d . 1 . . O
  O2  .40315(14)  .20346(17)  .14574(11)  .0540(6) Uani d . 1 . . O
  O3  .29921(15)  .00185(19)  .08421(14)  .0703(8) Uani d . 1 . . O
  N1  .56650(16)  .1428(2)  .27996(13)  .0478(7) Uani d . 1 . . N
  N2  .4876(2)  .3541(2)  .16545(16)  .0698(10) Uani d D 1 . . N
  N3  .1617(3)  -.0331(3)  .1024(3)  .1026(14) Uani d D 1 . . N
  H3  .125(2)  -.072(3)  .109(2)  .102(18) Uiso d D 1 B . H
  C1  .6410(2)  .1782(3)  .3313(2)  .0709(12) Uani d . 1 . . C
  H1A  .6732  .1193  .3519  .085 Uiso calc R 1 . . H
  H1B  .6276  .2153  .3697  .085 Uiso calc R 1 . . H
  C2  .6892(3)  .2466(4)  .2963(3)  .1094(18) Uani d . 1 . . C
  H2A  .7372  .2681  .3312  .131 Uiso calc R 1 . . H
  H2B  .6578  .3055  .2766  .131 Uiso calc R 1 . . H
  H2C  .7034  .2096  .2588  .131 Uiso calc R 1 . . H
  C3A  .5415(9)  .4385(8)  .1567(7)  .118(5) Uani d PD  .642(15) A 1 C
  H3A1  .5202  .4711  .1106  .142 Uiso calc PR  .642(15) A 1 H
  H3A2  .5943  .4115  .1588  .142 Uiso calc PR  .642(15) A 1 H
  C4A  .5477(10)  .5163(7)  .2161(8)  .156(7) Uani d PD  .642(15) A 1 C
  H4A1  .5852  .5689  .2126  .187 Uiso calc PR  .642(15) A 1 H
  H4A2  .5658  .4828  .2616  .187 Uiso calc PR  .642(15) A 1 H
  H4A3  .4959  .5464  .2116  .187 Uiso calc PR  .642(15) A 1 H
  C3B  .5012(8)  .4663(5)  .1723(16)  .095(7) Uani d PD  .358(15) A 2 C
  H3B1  .4705  .4952  .2026  .114 Uiso calc PR  .358(15) A 2 H
  H3B2  .4834  .4984  .1257  .114 Uiso calc PR  .358(15) A 2 H
  C4B  .5901(9)  .4866(12)  .205(2)  .152(14) Uani d PD  .358(15) A 2 C
  H4B1  .6005  .5586  .2027  .183 Uiso calc PR  .358(15) A 2 H
  H4B2  .6206  .4496  .1784  .183 Uiso calc PR  .358(15) A 2 H
  H4B3  .6054  .4643  .2537  .183 Uiso calc PR  .358(15) A 2 H
  C5A  .1334(8)  .0735(5)  .1078(6)  .189(8) Uani d PD  .613(13) B 1 C
  H5A1  .0781  .0805  .0796  .227 Uiso calc PR  .613(13) B 1 H
  H5A2  .1660  .1214  .0898  .227 Uiso calc PR  .613(13) B 1 H
  C6A  .1400(16)  .0962(12)  .1859(7)  .274(15) Uani d PD  .613(13) B 1 C
  H6A1  .1229  .1653  .1904  .329 Uiso calc PR  .613(13) B 1 H
  H6A2  .1948  .0883  .2136  .329 Uiso calc PR  .613(13) B 1 H
  H6A3  .1066  .0496  .2030  .329 Uiso calc PR  .613(13) B 1 H
  C5B  .1808(7)  .0452(10)  .1604(7)  .111(7) Uani d PD  .387(13) B 2 C
  H5B1  .2295  .0816  .1599  .133 Uiso calc PR  .387(13) B 2 H
  H5B2  .1891  .0123  .2065  .133 Uiso calc PR  .387(13) B 2 H
  C6B  .1108(12)  .1196(14)  .1479(10)  .137(9) Uani d PD  .387(13) B 2 C
  H6B1  .1225  .1714  .1844  .164 Uiso calc PR  .387(13) B 2 H
  H6B2  .0631  .0833  .1496  .164 Uiso calc PR  .387(13) B 2 H
  H6B3  .1025  .1512  .1019  .164 Uiso calc PR  .387(13) B 2 H
  C11  .6179(3)  -.0630(3)  .2603(2)  .0694(11) Uani d . 1 . . C
  C12  .6890(3)  -.0848(5)  .3255(3)  .128(2) Uani d . 1 . . C
  H12A  .7135  -.0213  .3449  .153 Uiso calc R 1 . . H
  H12B  .7277  -.1264  .3113  .153 Uiso calc R 1 . . H
  H12C  .6703  -.1203  .3611  .153 Uiso calc R 1 . . H
  C13  .5818(3)  -.1661(3)  .2326(3)  .1100(18) Uani d . 1 . . C
  H13A  .5616  -.1990  .2683  .132 Uiso calc R 1 . . H
  H13B  .6223  -.2084  .2217  .132 Uiso calc R 1 . . H
  H13C  .5386  -.1561  .1901  .132 Uiso calc R 1 . . H
  C14  .6485(4)  -.0143(4)  .2018(3)  .116(2) Uani d . 1 . . C
  H14A  .6716  .0514  .2176  .139 Uiso calc R 1 . . H
  H14B  .6047  -.0057  .1596  .139 Uiso calc R 1 . . H
  H14C  .6885  -.0577  .1911  .139 Uiso calc R 1 . . H
  C15  .5083(2)  -.0121(3)  .3569(2)  .0655(11) Uani d . 1 . . C
  C16  .5697(3)  .0130(5)  .4256(2)  .136(3) Uani d . 1 . . C
  H16A  .6180  -.0250  .4285  .163 Uiso calc R 1 . . H
  H16B  .5492  -.0049  .4652  .163 Uiso calc R 1 . . H
  H16C  .5813  .0850  .4272  .163 Uiso calc R 1 . . H
  C17  .4319(3)  .0477(4)  .3522(3)  .1091(18) Uani d . 1 . . C
  H17A  .3926  .0314  .3082  .131 Uiso calc R 1 . . H
  H17B  .4433  .1198  .3536  .131 Uiso calc R 1 . . H
  H17C  .4113  .0299  .3918  .131 Uiso calc R 1 . . H
  C18  .4852(3)  -.1253(4)  .3570(3)  .1098(18) Uani d . 1 . . C
  H18A  .4456  -.1413  .3132  .132 Uiso calc R 1 . . H
  H18B  .4636  -.1385  .3967  .132 Uiso calc R 1 . . H
  H18C  .5320  -.1669  .3612  .132 Uiso calc R 1 . . H
  C21  .4559(3)  .2532(4)  .0306(2)  .0837(13) Uani d . 1 . . C
  C22  .5304(4)  .1899(6)  .0643(3)  .169(3) Uani d . 1 A . C
  H22A  .5167  .1357  .0923  .202 Uiso calc R 1 . . H
  H22B  .5706  .2329  .0945  .202 Uiso calc R 1 . . H
  H22C  .5509  .1610  .0274  .202 Uiso calc R 1 . . H
  C23  .3957(5)  .1824(6)  -.0198(3)  .178(3) Uani d . 1 A . C
  H23A  .3800  .1288  .0074  .214 Uiso calc R 1 . . H
  H23B  .4202  .1529  -.0539  .214 Uiso calc R 1 . . H
  H23C  .3492  .2210  -.0444  .214 Uiso calc R 1 . . H
  C24  .4795(5)  .3367(5)  -.0125(3)  .160(3) Uani d . 1 A . C
  H24A  .4334  .3780  -.0342  .192 Uiso calc R 1 . . H
  H24B  .5001  .3070  -.0491  .192 Uiso calc R 1 . . H
  H24C  .5202  .3787  .0181  .192 Uiso calc R 1 . . H
  C25  .3254(3)  .3713(3)  .0774(2)  .0798(13) Uani d . 1 . . C
  C26  .3295(4)  .4661(4)  .0329(4)  .148(3) Uani d . 1 A . C
  H26A  .3415  .4460  -.0106  .178 Uiso calc R 1 . . H
  H26B  .3707  .5111  .0595  .178 Uiso calc R 1 . . H
  H26C  .2787  .5009  .0216  .178 Uiso calc R 1 . . H
  C27  .2570(3)  .3019(5)  .0350(4)  .154(3) Uani d . 1 A . C
  H27A  .2682  .2807  -.0086  .184 Uiso calc R 1 . . H
  H27B  .2073  .3392  .0240  .184 Uiso calc R 1 . . H
  H27C  .2529  .2428  .0631  .184 Uiso calc R 1 . . H
  C28  .3064(4)  .4026(6)  .1448(3)  .170(3) Uani d . 1 A . C
  H28A  .3039  .3429  .1730  .204 Uiso calc R 1 . . H
  H28B  .2555  .4372  .1334  .204 Uiso calc R 1 . . H
  H28C  .3475  .4478  .1714  .204 Uiso calc R 1 . . H
  C31  .2633(3)  -.1953(3)  .1091(3)  .0873(14) Uani d . 1 . . C
  C32  .2002(3)  -.2797(4)  .0874(4)  .130(2) Uani d . 1 B . C
  H32A  .1517  -.2585  .0983  .156 Uiso calc R 1 . . H
  H32B  .2199  -.3412  .1133  .156 Uiso calc R 1 . . H
  H32C  .1892  -.2924  .0371  .156 Uiso calc R 1 . . H
  C33  .2831(5)  -.1772(5)  .1896(3)  .169(3) Uani d . 1 B . C
  H33A  .2355  -.1557  .2019  .203 Uiso calc R 1 . . H
  H33B  .3234  -.1250  .2030  .203 Uiso calc R 1 . . H
  H33C  .3028  -.2396  .2143  .203 Uiso calc R 1 . . H
  C34  .3399(3)  -.2290(4)  .0919(4)  .147(3) Uani d . 1 B . C
  H34A  .3796  -.1760  .1055  .176 Uiso calc R 1 . . H
  H34B  .3289  -.2417  .0415  .176 Uiso calc R 1 . . H
  H34C  .3596  -.2905  .1177  .176 Uiso calc R 1 . . H
  C35  .1871(4)  -.0745(5)  -.0304(3)  .1093(19) Uani d . 1 . . C
  C36  .1745(4)  .0353(5)  -.0540(3)  .177(4) Uani d . 1 B . C
  H36A  .1372  .0669  -.0320  .212 Uiso calc R 1 . . H
  H36B  .1534  .0379  -.1051  .212 Uiso calc R 1 . . H
  H36C  .2248  .0710  -.0401  .212 Uiso calc R 1 . . H
  C37  .1054(4)  -.1287(6)  -.0499(4)  .197(4) Uani d . 1 B . C
  H37A  .1124  -.1990  -.0351  .236 Uiso calc R 1 . . H
  H37B  .0823  -.1256  -.1007  .236 Uiso calc R 1 . . H
  H37C  .0703  -.0954  -.0263  .236 Uiso calc R 1 . . H
  C38  .2461(5)  -.1216(7)  -.0659(3)  .196(4) Uani d . 1 B . C
  H38A  .2553  -.1919  -.0515  .235 Uiso calc R 1 . . H
  H38B  .2960  -.0847  -.0520  .235 Uiso calc R 1 . . H
  H38C  .2247  -.1181  -.1169  .235 Uiso calc R 1 . . H
  Li  .3848(4)  .0645(5)  .1458(3)  .0569(16) Uani d . 1 . . Li
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
  Ni  .0534(3)  .0439(3)  .0478(3)  -.0026(2)  .0004(2)  .0020(2)
  Cl  .0971(9)  .0803(8)  .0839(8)  .0025(7)  .0307(7)  -.0200(6)
  P1  .0493(6)  .0463(5)  .0459(5)  .0046(5)  .0036(4)  .0061(4)
  P2  .0632(7)  .0431(5)  .0506(5)  -.0059(5)  .0025(5)  .0088(4)
  P3  .0530(6)  .0479(6)  .0773(7)  -.0143(5)  .0078(5)  -.0047(5)
  O1  .0670(17)  .0470(14)  .0619(16)  -.0042(13)  -.0139(13)  .0069(12)
  O2  .0567(15)  .0430(13)  .0532(14)  -.0073(12)  -.0006(12)  .0094(11)
  O3  .0638(17)  .0599(16)  .0716(17)  -.0247(13)  -.0080(14)  .0073(13)
  N1  .0439(17)  .0503(17)  .0434(15)  -.0035(13)  .0020(13)  .0007(12)
  N2  .077(2)  .0510(19)  .067(2)  -.0239(17)  -.0046(17)  .0134(15)
  N3  .106(3)  .052(2)  .168(4)  -.019(2)  .068(3)  -.020(3)
  C1  .055(2)  .070(3)  .074(3)  -.005(2)  -.005(2)  .003(2)
  C2  .072(3)  .121(4)  .124(4)  -.043(3)  .007(3)  .012(3)
  C3A  .128(12)  .088(7)  .114(10)  -.050(8)  -.008(8)  .027(7)
  C4A  .239(18)  .077(8)  .120(9)  -.068(11)  -.004(13)  .006(8)
  C3B  .136(19)  .037(8)  .096(13)  -.037(10)  .004(14)  -.001(8)
  C4B  .106(15)  .054(11)  .25(3)  -.023(11)  -.038(18)  -.011(14)
  C5A  .109(11)  .090(10)  .38(3)  .011(8)  .091(14)  .012(12)
  C6A  .47(4)  .143(16)  .144(16)  -.02(2)  -.020(19)  -.064(12)
  C5B  .091(12)  .104(14)  .149(17)  .008(10)  .050(11)  -.038(12)
  C6B  .132(15)  .119(15)  .149(18)  .070(11)  .020(14)  -.080(14)
  C11  .079(3)  .066(3)  .063(2)  .016(2)  .020(2)  .000(2)
  C12  .093(4)  .151(6)  .124(4)  .064(4)  .004(3)  -.010(4)
  C13  .126(5)  .063(3)  .142(5)  .027(3)  .039(4)  -.009(3)
  C14  .155(5)  .093(4)  .131(5)  .034(4)  .092(4)  .007(3)
  C15  .063(3)  .068(3)  .066(3)  .007(2)  .020(2)  .018(2)
  C16  .128(5)  .230(8)  .050(3)  -.047(5)  .026(3)  .003(4)
  C17  .114(4)  .088(4)  .154(5)  .020(3)  .085(4)  .034(3)
  C18  .139(5)  .079(3)  .121(4)  -.002(3)  .051(4)  .041(3)
  C21  .103(4)  .088(3)  .064(3)  -.004(3)  .029(3)  .011(3)
  C22  .176(7)  .230(8)  .127(5)  .104(7)  .086(5)  .045(5)
  C23  .262(10)  .183(7)  .107(5)  -.062(7)  .079(6)  -.065(5)
  C24  .218(8)  .159(6)  .142(5)  .002(6)  .115(6)  .053(5)
  C25  .082(3)  .066(3)  .076(3)  .016(2)  -.003(3)  .019(2)
  C26  .179(6)  .089(4)  .163(6)  .050(4)  .025(5)  .052(4)
  C27  .094(4)  .136(5)  .186(7)  .006(4)  -.040(4)  .017(5)
  C28  .144(6)  .232(9)  .134(6)  .121(6)  .039(5)  .016(6)
  C31  .080(3)  .061(3)  .125(4)  -.008(3)  .035(3)  .008(3)
  C32  .121(5)  .055(3)  .234(7)  -.017(3)  .081(5)  .001(4)
  C33  .246(9)  .115(5)  .124(5)  .010(5)  .011(6)  .059(4)
  C34  .093(4)  .098(4)  .254(8)  .020(4)  .055(5)  .042(5)
  C35  .103(4)  .112(4)  .087(4)  -.043(4)  -.018(3)  -.009(3)
  C36  .188(7)  .143(6)  .132(5)  -.033(6)  -.072(5)  .049(5)
  C37  .143(6)  .215(8)  .179(7)  -.107(6)  -.048(5)  -.022(6)
  C38  .251(10)  .251(10)  .098(5)  -.024(8)  .068(6)  -.039(6)
  Li  .056(4)  .052(3)  .054(3)  -.012(3)  .001(3)  .008(3)
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
  Ni N1 . 1.943(3) ?
  Ni N2 . 1.967(3) ?
  Ni O2 . 2.168(2) ?
  Ni Cl . 2.2620(12) ?
  P1 O1 . 1.495(2) ?
  P1 N1 . 1.623(3) ?
  P1 C15 . 1.858(4) ?
  P1 C11 . 1.871(4) ?
  P2 O2 . 1.524(2) ?
  P2 N2 . 1.592(3) ?
  P2 C21 . 1.832(5) ?
  P2 C25 . 1.842(4) ?
  P3 O3 . 1.484(2) ?
  P3 N3 . 1.596(4) ?
  P3 C31 . 1.833(5) ?
  P3 C35 . 1.854(5) ?
  O1 Li . 1.801(6) ?
  O2 Li . 1.842(6) ?
  O3 Li . 1.824(6) ?
  N1 C1 . 1.473(4) ?
  N2 C3A . 1.483(5) ?
  N2 C3B . 1.484(5) ?
  N3 H3 .  .853(14) ?
  N3 C5A . 1.488(5) ?
  N3 C5B . 1.490(5) ?
  C1 C2 . 1.505(6) ?
  C3A C4A . 1.520(5) ?
  C3B C4B . 1.520(5) ?
  C5A C6A . 1.520(5) ?
  C5B C6B . 1.520(5) ?
  C11 C14 . 1.520(6) ?
  C11 C13 . 1.521(6) ?
  C11 C12 . 1.533(6) ?
  C15 C16 . 1.500(6) ?
  C15 C17 . 1.517(6) ?
  C15 C18 . 1.530(6) ?
  C21 C24 . 1.499(6) ?
  C21 C22 . 1.522(7) ?
  C21 C23 . 1.531(7) ?
  C25 C28 . 1.493(7) ?
  C25 C26 . 1.524(6) ?
  C25 C27 . 1.539(7) ?
  C31 C34 . 1.518(7) ?
  C31 C33 . 1.527(7) ?
  C31 C32 . 1.527(6) ?
  C35 C36 . 1.502(8) ?
  C35 C38 . 1.512(9) ?
  C35 C37 . 1.533(7) ?