#------------------------------------------------------------------------------
#$Date: 2008-01-13 23:15:36 +0100 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2008899.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_2008899
_journal_name_full  'Acta Crystallographica'
_journal_year  1999
_journal_volume  C55
_journal_page_first  1482
_journal_page_last  1483
_publ_section_title
;
Chloro(p-chloroanilido-N)bis(\h^5^-pentamethylcyclopentadienyl)uranium(IV)
;
loop_
_publ_author_name
  'Peters, R. Gregory'
  'Scott, Brian L.'
  'Burns, Carol J.'
_chemical_formula_sum  'C26 H35 Cl2 N U'
_chemical_formula_iupac  '[U Cl (C10 H15)2 (C6 H5 Cl N)]'
_chemical_formula_weight  670.48
_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  9.6467(4)
_cell_length_b  12.7276(6)
_cell_length_c  20.8040(10)
_cell_angle_alpha  90.00
_cell_angle_beta  90.1290(10)
_cell_angle_gamma  90.00
_cell_volume  2554.3(2)
_cell_formula_units_Z  4
_cell_measurement_temperature  203(2)
_exptl_crystal_density_diffrn  1.743
_diffrn_ambient_temperature  203(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
  U1 0.164096(14) 0.197474(10) 0.080933(6) 0.02908(6) Uani d . 1 . . U
  Cl1 0.19116(13) 0.05225(9) -0.00694(5) 0.0525(3) Uani d . 1 . . Cl
  Cl2 -0.43771(14) 0.16662(11) 0.33208(6) 0.0626(3) Uani d . 1 . . Cl
  N1 -0.0264(4) 0.1236(3) 0.12212(15) 0.0400(8) Uani d . 1 . . N
  HN1 -0.047(5) 0.070(4) 0.093(2) 0.08 Uiso d . 1 . . H
  C1 -0.1234(4) 0.1313(3) 0.17159(17) 0.0350(8) Uani d . 1 . . C
  C2 -0.1110(5) 0.2105(3) 0.2177(2) 0.0454(10) Uani d . 1 . . C
  H2 -0.0369 0.2571 0.2154 0.055 Uiso calc R 1 . . H
  C3 -0.2063(5) 0.2210(3) 0.2667(2) 0.0462(10) Uani d . 1 . . C
  H3 -0.1958 0.2738 0.2972 0.055 Uiso calc R 1 . . H
  C4 -0.3169(4) 0.1532(4) 0.27011(18) 0.0411(9) Uani d . 1 . . C
  C5 -0.3323(4) 0.0748(3) 0.22541(19) 0.0426(10) Uani d . 1 . . C
  H5 -0.4078 0.0295 0.2278 0.051 Uiso calc R 1 . . H
  C6 -0.2359(4) 0.0630(3) 0.17666(18) 0.0383(9) Uani d . 1 . . C
  H6 -0.2464 0.0089 0.1470 0.046 Uiso calc R 1 . . H
  C21 0.4018(4) 0.2451(3) 0.1482(2) 0.0409(9) Uani d . 1 . . C
  C22 0.4317(4) 0.1536(3) 0.11181(19) 0.0403(9) Uani d . 1 . . C
  C23 0.3533(4) 0.0698(3) 0.13852(18) 0.0403(9) Uani d . 1 . . C
  C24 0.2748(4) 0.1093(3) 0.19095(18) 0.0399(9) Uani d . 1 . . C
  C25 0.3042(5) 0.2182(3) 0.19576(19) 0.0415(10) Uani d . 1 . . C
  C21A 0.4844(5) 0.3467(4) 0.1471(3) 0.0612(13) Uani d . 1 . . C
  H21A 0.5438 0.3472 0.1101 0.092 Uiso calc R 1 . . H
  H21B 0.5396 0.3516 0.1854 0.092 Uiso calc R 1 . . H
  H21C 0.4220 0.4053 0.1450 0.092 Uiso calc R 1 . . H
  C22A 0.5290(5) 0.1460(4) 0.0571(2) 0.0583(12) Uani d . 1 . . C
  H22A 0.5294 0.0753 0.0409 0.087 Uiso calc R 1 . . H
  H22B 0.6206 0.1646 0.0712 0.087 Uiso calc R 1 . . H
  H22C 0.5001 0.1932 0.0236 0.087 Uiso calc R 1 . . H
  C23A 0.3638(6) -0.0437(4) 0.1207(2) 0.0607(13) Uani d . 1 . . C
  H23A 0.4228 -0.0511 0.0839 0.091 Uiso calc R 1 . . H
  H23B 0.2733 -0.0704 0.1107 0.091 Uiso calc R 1 . . H
  H23C 0.4022 -0.0825 0.1561 0.091 Uiso calc R 1 . . H
  C24A 0.1911(6) 0.0439(4) 0.2359(2) 0.0597(13) Uani d . 1 . . C
  H24A 0.1880 -0.0272 0.2204 0.090 Uiso calc R 1 . . H
  H24B 0.0986 0.0714 0.2383 0.090 Uiso calc R 1 . . H
  H24C 0.2328 0.0452 0.2778 0.090 Uiso calc R 1 . . H
  C25A 0.2575(6) 0.2903(4) 0.2487(2) 0.0581(13) Uani d . 1 . . C
  H25A 0.1912 0.2546 0.2752 0.087 Uiso calc R 1 . . H
  H25B 0.2156 0.3518 0.2303 0.087 Uiso calc R 1 . . H
  H25C 0.3360 0.3104 0.2743 0.087 Uiso calc R 1 . . H
  C31 -0.0138(8) 0.3555(7) 0.0501(4) 0.0445(16) Uani d P 0.832(6) . . C
  C32 0.0061(11) 0.2979(5) -0.0070(5) 0.053(2) Uani d P 0.832(6) . . C
  C33 0.1422(13) 0.3158(7) -0.0282(3) 0.0549(18) Uani d P 0.832(6) . . C
  C34 0.2090(6) 0.3827(7) 0.0166(5) 0.0503(17) Uani d P 0.832(6) . . C
  C35 0.1121(12) 0.4082(4) 0.0644(3) 0.0418(13) Uani d P 0.832(6) . . C
  C31A -0.1499(7) 0.3702(6) 0.0855(4) 0.088(3) Uani d P 0.832(6) . . C
  C32A -0.1043(10) 0.2312(6) -0.0406(4) 0.100(3) Uani d P 0.832(6) . . C
  C33A 0.2043(14) 0.2766(7) -0.0905(4) 0.127(5) Uani d P 0.832(6) . . C
  C34A 0.3520(7) 0.4313(7) 0.0070(5) 0.116(4) Uani d P 0.832(6) . . C
  C35A 0.1274(9) 0.4874(5) 0.1189(4) 0.089(3) Uani d P 0.832(6) . . C
  C31' 0.069(4) 0.290(2) -0.0298(13) 0.018(5) Uiso d P 0.168(6) . . C
  C32' -0.028(3) 0.315(3) 0.0177(19) 0.025(7) Uiso d P 0.168(6) . . C
  C33' 0.193(3) 0.348(2) -0.0147(15) 0.015(5) Uiso d P 0.168(6) . . C
  C34' 0.033(4) 0.385(2) 0.0630(11) 0.017(6) Uiso d P 0.168(6) . . C
  C35' 0.168(4) 0.406(2) 0.0425(15) 0.016(5) Uiso d P 0.168(6) . . C
  C31B -0.180(3) 0.272(2) 0.0136(13) 0.046(7) Uiso d P 0.168(6) . . C
  C32B 0.049(3) 0.2286(19) -0.0915(11) 0.038(6) Uiso d P 0.168(6) . . C
  C33B -0.063(3) 0.432(2) 0.1174(13) 0.048(7) Uiso d P 0.168(6) . . C
  C34B 0.319(3) 0.348(2) -0.0512(12) 0.044(6) Uiso d P 0.168(6) . . C
  C35B 0.244(3) 0.490(2) 0.0755(11) 0.040(6) Uiso d P 0.168(6) . . C
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
  U1 0.03394(9) 0.02900(9) 0.02432(8) -0.00026(6) 0.00282(5) -0.00106(5)
  Cl1 0.0686(8) 0.0501(6) 0.0388(5) 0.0086(5) -0.0017(5) -0.0162(4)
  Cl2 0.0590(8) 0.0742(8) 0.0547(7) 0.0208(6) 0.0217(6) 0.0052(6)
  N1 0.045(2) 0.042(2) 0.0327(17) -0.0073(16) 0.0046(14) -0.0002(14)
  C1 0.040(2) 0.036(2) 0.0289(18) -0.0006(17) 0.0027(15) 0.0038(15)
  C2 0.046(3) 0.047(3) 0.043(2) -0.0111(19) 0.0040(19) -0.0042(18)
  C3 0.055(3) 0.042(2) 0.042(2) 0.007(2) 0.004(2) -0.0077(18)
  C4 0.041(2) 0.047(2) 0.035(2) 0.013(2) 0.0050(17) 0.0086(18)
  C5 0.038(2) 0.049(3) 0.041(2) -0.0041(19) 0.0021(17) 0.0090(18)
  C6 0.048(2) 0.035(2) 0.0317(19) -0.0040(17) 0.0017(17) 0.0006(15)
  C21 0.041(2) 0.038(2) 0.044(2) 0.0043(19) -0.0100(18) -0.0005(18)
  C22 0.037(2) 0.043(2) 0.042(2) 0.0084(19) -0.0019(17) -0.0001(18)
  C23 0.051(3) 0.033(2) 0.037(2) 0.0087(18) -0.0050(18) -0.0001(16)
  C24 0.048(2) 0.041(2) 0.0307(19) 0.0026(19) -0.0077(17) 0.0048(16)
  C25 0.047(2) 0.045(2) 0.033(2) 0.0075(19) -0.0089(18) -0.0052(17)
  C21A 0.047(3) 0.057(3) 0.079(4) -0.009(2) -0.019(2) 0.003(3)
  C22A 0.049(3) 0.070(3) 0.056(3) 0.009(3) 0.009(2) 0.000(2)
  C23A 0.081(4) 0.041(3) 0.060(3) 0.013(2) -0.012(3) -0.005(2)
  C24A 0.080(4) 0.058(3) 0.041(2) 0.007(3) 0.001(2) 0.018(2)
  C25A 0.069(3) 0.062(3) 0.043(3) 0.013(2) -0.010(2) -0.015(2)
  C31 0.036(3) 0.044(4) 0.054(4) 0.004(3) 0.006(3) 0.017(3)
  C32 0.063(5) 0.043(4) 0.051(5) -0.008(4) -0.026(5) 0.015(3)
  C33 0.079(6) 0.056(4) 0.029(3) 0.005(4) 0.007(3) 0.016(3)
  C34 0.041(3) 0.050(4) 0.060(4) -0.005(3) 0.004(3) 0.028(4)
  C35 0.051(4) 0.029(3) 0.045(4) 0.001(3) -0.012(3) 0.005(2)
  C31A 0.059(4) 0.079(5) 0.127(7) 0.026(4) 0.036(4) 0.039(5)
  C32A 0.121(7) 0.071(5) 0.107(7) -0.025(5) -0.081(6) 0.014(4)
  C33A 0.222(13) 0.111(7) 0.049(4) 0.063(8) 0.063(6) 0.033(4)
  C34A 0.044(4) 0.129(8) 0.176(9) -0.023(4) -0.004(5) 0.100(7)
  C35A 0.144(8) 0.036(3) 0.087(5) 0.020(4) -0.040(5) -0.019(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
  U1 N1 . 2.237(3) y
  U1 Cl1 . 2.6130(10)
  y
  U1 C32 . 2.701(6) ?
  U1 C22 . 2.717(4) ?
  U1 C31 . 2.720(5) ?
  U1 C32' . 2.72(3) ?
  U1 C23 . 2.720(4) ?
  U1 C33' . 2.72(2) ?
  U1 C33 . 2.733(5) ?
  U1 C31' . 2.75(3) ?
  U1 C34 . 2.746(5) ?
  U1 C35 . 2.750(5) ?
  U1 C21 . 2.752(4) ?
  U1 C25 . 2.755(4) ?
  U1 C24 . 2.762(4) ?
  U1 C34' . 2.77(3) ?
  U1 C35' . 2.77(2) ?
  Cl2 C4 . 1.748(4) y
  N1 HN1 . 0.93(5) y
  N1 C1 . 1.396(5) y
  C1 C6 . 1.395(5) y
  C1 C2 . 1.396(5) y
  C2 C3 . 1.381(6) y
  C3 C4 . 1.374(6) y
  C4 C5 . 1.371(6) y
  C5 C6 . 1.386(5) y
  C21 C25 . 1.409(7) ?
  C21 C22 . 1.420(6) ?
  C21 C21A . 1.518(7) ?
  C22 C23 . 1.422(6) ?
  C22 C22A . 1.480(6) ?
  C23 C24 . 1.422(6) ?
  C23 C23A . 1.494(6) ?
  C24 C25 . 1.419(5) ?
  C24 C24A . 1.491(6) ?
  C25 C25A . 1.502(6) ?
  C31 C32 . 1.410(11) ?
  C31 C35 . 1.418(9) ?
  C31 C31A . 1.518(8) ?
  C32 C33 . 1.405(12) ?
  C32 C32A . 1.529(9) ?
  C33 C34 . 1.418(10) ?
  C33 C33A . 1.514(9) ?
  C34 C35 . 1.405(9) ?
  C34 C34A . 1.525(8) ?
  C34 C31' . 2.03(3) ?
  C35 C35A . 1.524(8) ?
  C35 C32' . 2.04(4) ?
  C31' C32' . 1.40(4) ?
  C31' C35' . 1.43(3) ?
  C31' C31B . 1.52(3) ?
  C32' C33' . 1.42(4) ?
  C32' C32B . 1.57(4) ?
  C33' C34' . 1.40(4) ?
  C33' C33B . 1.59(4) ?
  C34' C35' . 1.42(3) ?
  C34' C34B . 1.47(4) ?
  C35' C35B . 1.43(4) ?