#------------------------------------------------------------------------------
#$Date: 2012-02-24 17:13:23 +0000 (Fri, 24 Feb 2012) $
#$Revision: 34330 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/03/4060329.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_4060329
_journal_name_full  'Organometallics'
_journal_year       2005
_publ_section_title
;
 Synthesis and Reactivity of New [kappa2-P,N]Pt(II) Complexes of
 Diisopropyphosphino-Substituted 2-Dimethylaminoindene
;
_chemical_formula_sum 'C26 H46 N4 Ni2 Si4'
_chemical_formula_weight  644.45
_symmetry_cell_setting  'triclinic'
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, -y, -z'
_cell_length_a  11.3643(5)
_cell_length_b  12.0823(6)
_cell_length_c  13.7054(7)
_cell_angle_alpha  106.974(2)
_cell_angle_beta  108.096(2)
_cell_angle_gamma  91.455(2)
_cell_volume  1696.84(14)
_cell_formula_units_Z  2
_cell_measurement_temperature  230.0(2)
_exptl_crystal_density_diffrn  1.261
_diffrn_ambient_temperature  230.0(2)
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
Ni1 Ni 0.28727(8) 0.25666(7) 0.53759(6) 0.0377(3) Uani 1 1 d . . .
Ni2 Ni 0.47170(8) 0.25313(7) 0.50196(6) 0.0399(3) Uani 1 1 d . . .
Si1 Si 0.28442(17) 0.29493(16) 0.76639(14) 0.0399(5) Uani 1 1 d . . .
C2 C 0.1787(7) 0.3970(6) 0.7166(6) 0.060(2) Uani 1 1 d . . .
H2A H 0.2277 0.4662 0.7228 0.09(3) Uiso 1 1 calc R . .
H2B H 0.1248 0.4176 0.7592 0.10(3) Uiso 1 1 calc R . .
H2C H 0.1292 0.3597 0.6422 0.10(3) Uiso 1 1 calc R . .
C3 C 0.1887(7) 0.1597(6) 0.7532(7) 0.061(2) Uani 1 1 d . . .
H3A H 0.2429 0.1072 0.7790 0.08(3) Uiso 1 1 calc R . .
H3B H 0.1398 0.1225 0.6786 0.25(7) Uiso 1 1 calc R . .
H3C H 0.1342 0.1799 0.7952 0.07(2) Uiso 1 1 calc R . .
C4 C 0.3695(7) 0.3714(7) 0.9116(5) 0.059(2) Uani 1 1 d . . .
H4A H 0.4191 0.4407 0.9189 0.07(2) Uiso 1 1 calc R . .
H4B H 0.4229 0.3209 0.9418 0.06(2) Uiso 1 1 calc R . .
H4C H 0.3107 0.3920 0.9491 0.06(2) Uiso 1 1 calc R . .
N5 N 0.3730(5) 0.2596(4) 0.6794(4) 0.0333(13) Uani 1 1 d . . .
C6 C 0.4893(6) 0.2338(5) 0.7016(5) 0.0357(17) Uani 1 1 d . . .
C7 C 0.5567(6) 0.2225(6) 0.8097(5) 0.0411(17) Uani 1 1 d . . .
C8 C 0.5270(8) 0.1282(7) 0.8400(6) 0.058(2) Uani 1 1 d . . .
H8 H 0.4621 0.0708 0.7921 0.06(2) Uiso 1 1 calc R . .
C9 C 0.5915(10) 0.1181(10) 0.9392(8) 0.087(3) Uani 1 1 d . . .
H9 H 0.5704 0.0538 0.9575 0.14(4) Uiso 1 1 calc R . .
C10 C 0.6864(10) 0.2017(12) 1.0111(8) 0.099(4) Uani 1 1 d . . .
H10 H 0.7297 0.1952 1.0785 0.11(3) Uiso 1 1 calc R . .
C11 C 0.7182(8) 0.2976(10) 0.9824(7) 0.086(3) Uani 1 1 d . . .
H11 H 0.7824 0.3551 1.0316 0.08(3) Uiso 1 1 calc R . .
C12 C 0.6566(7) 0.3077(7) 0.8841(6) 0.057(2) Uani 1 1 d . . .
H12 H 0.6801 0.3709 0.8655 0.04(2) Uiso 1 1 calc R . .
N13 N 0.5492(4) 0.2177(4) 0.6296(4) 0.0326(13) Uani 1 1 d . . .
Si14 Si 0.69009(17) 0.16062(17) 0.63366(16) 0.0444(5) Uani 1 1 d . . .
C15 C 0.7282(8) 0.0511(7) 0.7061(7) 0.069(2) Uani 1 1 d . . .
H15A H 0.6598 -0.0105 0.6773 0.12(4) Uiso 1 1 calc R . .
H15B H 0.7424 0.0879 0.7817 0.16(5) Uiso 1 1 calc R . .
H15C H 0.8020 0.0194 0.6967 0.10(3) Uiso 1 1 calc R . .
C16 C 0.8234(7) 0.2794(7) 0.6911(7) 0.072(2) Uani 1 1 d . . .
H16A H 0.8047 0.3365 0.6543 0.13(4) Uiso 1 1 calc R . .
H16B H 0.8971 0.2473 0.6820 0.06(2) Uiso 1 1 calc R . .
H16C H 0.8370 0.3155 0.7668 0.06(2) Uiso 1 1 calc R . .
C17 C 0.6729(7) 0.0847(6) 0.4896(5) 0.056(2) Uani 1 1 d . . .
H17A H 0.6539 0.1387 0.4492 0.043(18) Uiso 1 1 calc R . .
H17B H 0.6065 0.0211 0.4599 0.08(2) Uiso 1 1 calc R . .
H17C H 0.7495 0.0551 0.4855 0.17(5) Uiso 1 1 calc R . .
N18 N 0.2019(4) 0.2527(4) 0.3952(4) 0.0332(13) Uani 1 1 d . . .
Si19 Si 0.04044(17) 0.21452(17) 0.35386(15) 0.0440(5) Uani 1 1 d . . .
C20 C 0.0184(7) 0.1333(7) 0.4444(6) 0.062(2) Uani 1 1 d . . .
H20A H 0.0607 0.0652 0.4349 0.06(2) Uiso 1 1 calc R . .
H20B H -0.0691 0.1102 0.4269 0.07(2) Uiso 1 1 calc R . .
H20C H 0.0521 0.1825 0.5183 0.08(3) Uiso 1 1 calc R . .
C21 C -0.0431(8) 0.3466(8) 0.3745(9) 0.089(3) Uani 1 1 d . . .
H21A H -0.0319 0.3900 0.3288 0.15(5) Uiso 1 1 calc R . .
H21B H -0.0098 0.3947 0.4488 0.13(4) Uiso 1 1 calc R . .
H21C H -0.1305 0.3227 0.3565 0.14(4) Uiso 1 1 calc R . .
C22 C -0.0320(7) 0.1163(7) 0.2120(5) 0.058(2) Uani 1 1 d . . .
H22A H 0.0108 0.0487 0.2011 0.09(3) Uiso 1 1 calc R . .
H22B H -0.0259 0.1571 0.1628 0.12(3) Uiso 1 1 calc R . .
H22C H -0.1183 0.0926 0.1990 0.06(2) Uiso 1 1 calc R . .
C23 C 0.2703(7) 0.2750(5) 0.3376(5) 0.0386(17) Uani 1 1 d . . .
C24 C 0.2043(6) 0.2822(6) 0.2267(5) 0.0433(19) Uani 1 1 d . . .
C25 C 0.2031(7) 0.1964(7) 0.1352(6) 0.061(2) Uani 1 1 d . . .
H25 H 0.2457 0.1329 0.1420 0.012(15) Uiso 1 1 calc R . .
C26 C 0.1407(8) 0.2018(9) 0.0335(7) 0.076(3) Uani 1 1 d . . .
H26 H 0.1390 0.1416 -0.0276 0.06(2) Uiso 1 1 calc R . .
C27 C 0.0807(9) 0.2974(11) 0.0234(9) 0.097(4) Uani 1 1 d . . .
H27 H 0.0411 0.3030 -0.0451 0.11(3) Uiso 1 1 calc R . .
C28 C 0.0786(9) 0.3836(11) 0.1118(8) 0.084(3) Uani 1 1 d . . .
H28 H 0.0363 0.4472 0.1043 0.16(6) Uiso 1 1 calc R . .
C29 C 0.1398(6) 0.3758(7) 0.2125(6) 0.054(2) Uani 1 1 d . . .
H29 H 0.1382 0.4349 0.2731 0.024(16) Uiso 1 1 calc R . .
N30 N 0.3960(5) 0.2879(4) 0.3743(4) 0.0387(14) Uani 1 1 d . . .
Si31 Si 0.50009(18) 0.33935(17) 0.32231(15) 0.0460(6) Uani 1 1 d . . .
C32 C 0.6379(6) 0.4131(7) 0.4425(6) 0.059(2) Uani 1 1 d . . .
H32A H 0.6139 0.4768 0.4902 0.10(3) Uiso 1 1 calc R . .
H32B H 0.7010 0.4423 0.4200 0.09(3) Uiso 1 1 calc R . .
H32C H 0.6703 0.3584 0.4796 0.030(17) Uiso 1 1 calc R . .
C33 C 0.5494(8) 0.2160(7) 0.2323(7) 0.075(3) Uani 1 1 d . . .
H33A H 0.4792 0.1774 0.1690 0.06(2) Uiso 1 1 calc R . .
H33B H 0.5806 0.1617 0.2701 0.09(3) Uiso 1 1 calc R . .
H33C H 0.6138 0.2453 0.2112 0.14(4) Uiso 1 1 calc R . .
C34 C 0.4442(7) 0.4463(7) 0.2485(6) 0.067(2) Uani 1 1 d . . .
H34A H 0.4187 0.5106 0.2944 0.024(17) Uiso 1 1 calc R . .
H34B H 0.3747 0.4087 0.1843 0.06(2) Uiso 1 1 calc R . .
H34C H 0.5105 0.4746 0.2290 0.10(3) Uiso 1 1 calc R . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ni1 0.0319(5) 0.0452(6) 0.0393(5) 0.0165(4) 0.0130(4) 0.0068(4)
Ni2 0.0337(5) 0.0475(6) 0.0427(6) 0.0181(4) 0.0145(4) 0.0095(4)
Si1 0.0381(12) 0.0427(12) 0.0375(11) 0.0074(9) 0.0156(9) 0.0012(9)
C2 0.051(5) 0.063(6) 0.071(6) 0.022(5) 0.025(5) 0.023(4)
C3 0.058(5) 0.064(5) 0.067(6) 0.019(5) 0.032(5) 0.005(5)
C4 0.048(5) 0.073(6) 0.056(5) 0.011(4) 0.025(4) 0.015(5)
N5 0.033(3) 0.038(3) 0.033(3) 0.014(3) 0.013(3) 0.005(3)
C6 0.037(4) 0.032(4) 0.037(4) 0.016(3) 0.007(4) 0.001(3)
C7 0.047(5) 0.035(4) 0.050(5) 0.015(4) 0.025(4) 0.023(4)
C8 0.075(6) 0.059(5) 0.054(5) 0.029(4) 0.030(5) 0.019(5)
C9 0.095(8) 0.144(10) 0.064(7) 0.074(7) 0.040(6) 0.066(7)
C10 0.082(8) 0.189(13) 0.041(6) 0.051(8) 0.020(6) 0.089(8)
C11 0.059(6) 0.124(9) 0.055(6) 0.013(7) 0.005(5) 0.023(6)
C12 0.045(5) 0.075(6) 0.048(5) 0.018(5) 0.010(4) 0.021(4)
N13 0.028(3) 0.042(3) 0.033(3) 0.013(3) 0.016(3) 0.013(3)
Si14 0.0354(12) 0.0467(13) 0.0544(13) 0.0181(10) 0.0166(10) 0.0156(10)
C15 0.071(7) 0.069(6) 0.079(7) 0.037(5) 0.027(5) 0.048(6)
C16 0.038(5) 0.070(6) 0.098(8) 0.021(6) 0.015(5) 0.005(4)
C17 0.057(5) 0.051(5) 0.079(6) 0.029(4) 0.037(4) 0.023(4)
N18 0.034(3) 0.034(3) 0.035(3) 0.010(2) 0.015(3) 0.006(3)
Si19 0.0324(12) 0.0452(12) 0.0541(13) 0.0167(10) 0.0129(10) 0.0073(10)
C20 0.052(5) 0.065(6) 0.073(6) 0.022(5) 0.025(5) -0.004(5)
C21 0.058(7) 0.083(7) 0.132(10) 0.033(8) 0.037(6) 0.031(5)
C22 0.044(5) 0.071(6) 0.050(5) 0.021(4) 0.000(4) 0.001(5)
C23 0.057(5) 0.030(4) 0.030(4) 0.008(3) 0.018(4) 0.008(3)
C24 0.044(5) 0.055(5) 0.026(4) 0.013(4) 0.005(3) -0.001(4)
C25 0.068(6) 0.067(6) 0.051(6) 0.028(5) 0.014(5) 0.013(5)
C26 0.083(7) 0.100(8) 0.042(6) 0.020(6) 0.019(5) -0.002(6)
C27 0.080(8) 0.151(12) 0.068(8) 0.078(8) -0.005(6) -0.002(7)
C28 0.079(7) 0.113(9) 0.059(7) 0.047(7) 0.003(6) 0.008(7)
C29 0.047(5) 0.064(6) 0.051(5) 0.021(5) 0.015(4) 0.006(4)
N30 0.032(3) 0.046(4) 0.041(3) 0.012(3) 0.019(3) 0.003(3)
Si31 0.0483(13) 0.0481(13) 0.0495(12) 0.0162(10) 0.0265(11) 0.0049(10)
C32 0.047(5) 0.059(5) 0.080(6) 0.030(5) 0.026(4) 0.011(4)
C33 0.087(7) 0.075(6) 0.065(6) 0.010(6) 0.041(6) 0.010(6)
C34 0.074(6) 0.071(6) 0.064(5) 0.040(5) 0.019(5) 0.005(5)
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
Ni1 N5 1.874(5) . ?
Ni1 N18 1.876(5) . ?
Ni1 Ni2 2.2938(12) . ?
Ni2 N30 1.868(5) . ?
Ni2 N13 1.876(5) . ?
Si1 N5 1.757(5) . ?
Si1 C4 1.853(6) . ?
Si1 C2 1.868(7) . ?
Si1 C3 1.871(6) . ?
N5 C6 1.328(8) . ?
C6 N13 1.336(7) . ?
C6 C7 1.491(8) . ?
C7 C8 1.388(8) . ?
C7 C12 1.413(9) . ?
C8 C9 1.372(10) . ?
C9 C10 1.363(12) . ?
C10 C11 1.399(12) . ?
C11 C12 1.355(10) . ?
N13 Si14 1.750(5) . ?
Si14 C15 1.858(7) . ?
Si14 C16 1.860(6) . ?
Si14 C17 1.863(6) . ?
N18 C23 1.339(6) . ?
N18 Si19 1.749(5) . ?
Si19 C20 1.860(6) . ?
Si19 C22 1.864(6) . ?
Si19 C21 1.873(8) . ?
C23 N30 1.348(8) . ?
C23 C24 1.500(9) . ?
C24 C25 1.371(9) . ?
C24 C29 1.392(10) . ?
C25 C26 1.375(10) . ?
C26 C27 1.376(13) . ?
C27 C28 1.355(13) . ?
C28 C29 1.371(10) . ?
N30 Si31 1.743(4) . ?
Si31 C32 1.852(7) . ?
Si31 C33 1.859(8) . ?
Si31 C34 1.872(7) . ?
_cod_database_code 4060329