#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2008819.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_2008819
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1999
_journal_volume 55
_journal_page_first  1216
_journal_page_last  1218
_publ_section_title
;
trans-Chlorodifluorotris(pyridine-N)osmium(III)
;
loop_
_publ_author_name
  'Kolf, Stephan'
  'Preetz, Wilhelm'
_chemical_formula_moiety  'C15 H15 Cl F2 N3 Os'
_chemical_formula_sum  'C15 H15 Cl F2 N3 Os'
_chemical_formula_iupac  '[Os Cl F2 (C5 H5 N1)3]'
_chemical_formula_weight  500.95
_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  8.217(2)
_cell_length_b  16.7363(11)
_cell_length_c  12.029(4)
_cell_angle_alpha  90.00
_cell_angle_beta  100.53(4)
_cell_angle_gamma  90.00
_cell_volume  1626.5(7)
_cell_formula_units_Z  4
_cell_measurement_temperature  208(2)
_exptl_crystal_density_diffrn  2.046
_diffrn_ambient_temperature  293(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
  Os 0.77289(2) 0.165137(10) 0.774723(14) 0.01722(8) Uani d . 1 . . Os
  Cl 1.03106(15) 0.13214(8) 0.88808(10) 0.0289(3) Uani d . 1 . . Cl
  F1 0.8569(3) 0.14752(17) 0.6318(2) 0.0260(6) Uani d . 1 . . F
  F2 0.6751(4) 0.18217(17) 0.9124(2) 0.0278(6) Uani d . 1 . . F
  N1 0.8407(5) 0.2861(2) 0.7755(3) 0.0196(8) Uani d . 1 . . N
  N2 0.7005(5) 0.0470(2) 0.7734(3) 0.0227(8) Uani d . 1 . . N
  N3 0.5422(5) 0.1879(2) 0.6807(3) 0.0201(8) Uani d . 1 . . N
  C15 0.8398(6) 0.3314(3) 0.8678(4) 0.0267(11) Uani d . 1 . . C
  H15 0.8072 0.3058 0.9356 0.038(4) Uiso calc R 1 . . H
  C14 0.8811(7) 0.4108(3) 0.8738(5) 0.0333(12) Uani d . 1 . . C
  H14 0.8799 0.4416 0.9449 0.038(4) Uiso calc R 1 . . H
  C13 0.9247(7) 0.4482(3) 0.7803(5) 0.0345(12) Uani d . 1 . . C
  H13 0.9536 0.5063 0.7820 0.038(4) Uiso calc R 1 . . H
  C12 0.9267(7) 0.4022(3) 0.6844(5) 0.0340(13) Uani d . 1 . . C
  H12 0.9578 0.4268 0.6155 0.038(4) Uiso calc R 1 . . H
  C11 0.8857(7) 0.3225(3) 0.6850(5) 0.0304(11) Uani d . 1 . . C
  H11 0.8891 0.2900 0.6157 0.038(4) Uiso calc R 1 . . H
  C21 0.6927(7) 0.0083(3) 0.8704(5) 0.0324(12) Uani d . 1 . . C
  H21 0.7312 0.0359 0.9443 0.038(4) Uiso calc R 1 . . H
  C22 0.6327(9) -0.0685(4) 0.8695(6) 0.0513(17) Uani d . 1 . . C
  H22 0.6277 -0.0963 0.9424 0.038(4) Uiso calc R 1 . . H
  C23 0.5797(9) -0.1070(4) 0.7684(6) 0.0556(19) Uani d . 1 . . C
  H23 0.5322 -0.1621 0.7669 0.038(4) Uiso calc R 1 . . H
  C24 0.5928(8) -0.0687(3) 0.6694(6) 0.0462(16) Uani d . 1 . . C
  H24 0.5583 -0.0961 0.5950 0.038(4) Uiso calc R 1 . . H
  C25 0.6546(7) 0.0082(3) 0.6745(5) 0.0324(12) Uani d . 1 . . C
  H25 0.6655 0.0359 0.6026 0.038(4) Uiso calc R 1 . . H
  C31 0.4038(6) 0.1641(3) 0.7192(5) 0.0281(11) Uani d . 1 . . C
  H31 0.4166 0.1378 0.7949 0.038(4) Uiso calc R 1 . . H
  C32 0.2482(7) 0.1751(3) 0.6580(5) 0.0349(13) Uani d . 1 . . C
  H32 0.1494 0.1567 0.6887 0.038(4) Uiso calc R 1 . . H
  C33 0.2281(6) 0.2114(3) 0.5543(5) 0.0340(12) Uani d . 1 . . C
  H33 0.1150 0.2202 0.5087 0.038(4) Uiso calc R 1 . . H
  C34 0.3667(6) 0.2356(3) 0.5139(4) 0.0295(11) Uani d . 1 . . C
  H34 0.3551 0.2619 0.4382 0.038(4) Uiso calc R 1 . . H
  C35 0.5212(6) 0.2234(3) 0.5781(4) 0.0230(10) Uani d . 1 . . C
  H35 0.6209 0.2413 0.5480 0.038(4) 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
  Os 0.01708(11) 0.01820(11) 0.01682(11) -0.00086(7) 0.00427(7) -0.00104(7)
  Cl 0.0243(6) 0.0332(6) 0.0259(6) -0.0003(5) -0.0039(5) 0.0001(5)
  F1 0.0233(14) 0.0339(15) 0.0228(14) 0.0004(12) 0.0094(11) -0.0047(12)
  F2 0.0349(16) 0.0282(14) 0.0244(15) -0.0029(12) 0.0163(13) -0.0024(12)
  N1 0.0143(18) 0.023(2) 0.0213(19) -0.0011(16) 0.0034(15) -0.0001(16)
  N2 0.017(2) 0.020(2) 0.030(2) 0.0008(16) 0.0004(16) 0.0016(17)
  N3 0.021(2) 0.0167(19) 0.024(2) -0.0022(15) 0.0079(16) -0.0043(16)
  C15 0.029(3) 0.028(3) 0.024(2) 0.000(2) 0.005(2) 0.000(2)
  C14 0.037(3) 0.026(3) 0.038(3) -0.003(2) 0.010(2) -0.006(2)
  C13 0.031(3) 0.026(3) 0.047(3) -0.007(2) 0.008(2) 0.002(2)
  C12 0.037(3) 0.035(3) 0.031(3) -0.009(2) 0.009(2) 0.010(2)
  C11 0.033(3) 0.030(3) 0.029(3) -0.004(2) 0.007(2) 0.000(2)
  C21 0.035(3) 0.027(3) 0.033(3) 0.002(2) 0.001(2) 0.002(2)
  C22 0.061(4) 0.036(3) 0.053(4) -0.005(3) 0.000(3) 0.019(3)
  C23 0.065(5) 0.026(3) 0.067(5) -0.014(3) -0.008(4) 0.004(3)
  C24 0.053(4) 0.028(3) 0.051(4) -0.003(3) -0.009(3) -0.009(3)
  C25 0.033(3) 0.028(3) 0.034(3) 0.002(2) 0.000(2) -0.006(2)
  C31 0.022(3) 0.029(3) 0.035(3) 0.005(2) 0.011(2) 0.003(2)
  C32 0.025(3) 0.034(3) 0.049(3) 0.003(2) 0.014(2) 0.006(3)
  C33 0.020(3) 0.033(3) 0.045(3) 0.001(2) -0.003(2) 0.001(3)
  C34 0.032(3) 0.029(3) 0.025(3) 0.000(2) 0.000(2) 0.002(2)
  C35 0.027(3) 0.020(2) 0.024(2) 0.0002(19) 0.011(2) 0.0007(19)
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
  Os F1 . 1.989(3) yes
  Os F2 . 1.989(3) yes
  Os N3 . 2.058(4) yes
  Os N2 . 2.063(4) yes
  Os N1 . 2.099(4) yes
  Os Cl . 2.3681(15) yes
  N1 C15 . 1.346(6) no
  N1 C11 . 1.356(6) no
  N2 C21 . 1.346(7) no
  N2 C25 . 1.348(7) no
  N3 C35 . 1.352(6) no
  N3 C31 . 1.364(6) no
  C15 C14 . 1.370(7) no
  C14 C13 . 1.390(8) no
  C13 C12 . 1.389(8) no
  C12 C11 . 1.376(7) no
  C21 C22 . 1.376(8) no
  C22 C23 . 1.375(10) no
  C23 C24 . 1.374(10) no
  C24 C25 . 1.380(8) no
  C31 C32 . 1.366(8) no
  C32 C33 . 1.371(8) no
  C33 C34 . 1.378(8) no
  C34 C35 . 1.375(7) no