#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2007176.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_2007176
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1998
_journal_volume 54
_journal_page_first  481
_journal_page_last  483
_publ_section_title
;
Dipyridiniomethane cis-Dibromotetrafluoroosmate(IV),
cis-[(C~5~H~5~N)~2~CH~2~][OsBr~2~F~4~]
;
loop_
_publ_author_name
  'H\"ohling, Matthias'
  'Preetz, Wilhelm'
_chemical_formula_sum  'C11 H12 Br2 F4 N2 Os'
_chemical_formula_structural
;
cis-[(C~5~H~5~N)~2~CH~2~][OsF~4~Br~2~]
;
_chemical_formula_iupac  '(C11 H12 N2)[OsBr2 F4]'
_chemical_formula_weight  598.25
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 2/n'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, y, -z+1/2'
  '-x, -y, -z'
  'x-1/2, -y, z-1/2'
_cell_length_a  7.080(3)
_cell_length_b  6.8203(5)
_cell_length_c  29.473(4)
_cell_angle_alpha  90.000(8)
_cell_angle_beta  90.32(3)
_cell_angle_gamma  90.00(2)
_cell_volume  1423.1(6)
_cell_formula_units_Z  4
_cell_measurement_temperature  208(2)
_exptl_crystal_density_diffrn  2.792
_diffrn_ambient_temperature  208(2)
_refine_ls_R_factor_obs  .0261
_refine_ls_wR_factor_obs  .0616
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  .89748(4)  .35964(4)  .362292(9)  .02015(13) Uani d . 1 . . Os
  Br1 1.04187(11)  .2832(2)  .43653(3)  .0413(2) Uani d . 1 . . Br
  Br2  .57764(10)  .37326(11)  .39502(2)  .0286(2) Uani d . 1 . . Br
  F1  .7944(7)  .4117(7)  .3028(2)  .0408(11) Uani d . 1 . . F
  F2 1.1450(6)  .3489(7)  .3323(2)  .0388(11) Uani d . 1 . . F
  F3  .9346(7)  .6378(6)  .3705(2)  .0430(12) Uani d . 1 . . F
  F4  .8698(6)  .0835(6)  .3497(2)  .0331(10) Uani d . 1 . . F
  N1  .3861(8)  .8565(8)  .4044(2)  .0208(12) Uani d . 1 . . N
  C11  .2811(10)  .7748(11)  .4377(2)  .026(2) Uani d . 1 . . C
  H11  .1516  .7520  .4329  .032 Uiso calc R 1 . . H
  C12  .3631(13)  .7254(12)  .4784(3)  .038(2) Uani d . 1 . . C
  H12  .2909  .6685  .5016  .045 Uiso calc R 1 . . H
  C13  .5517(12)  .7601(12)  .4846(3)  .036(2) Uani d . 1 . . C
  H13  .6086  .7326  .5128  .043 Uiso calc R 1 . . H
  C14  .6581(11)  .8350(10)  .4500(3)  .031(2) Uani d . 1 . . C
  H14  .7886  .8537  .4540  .037 Uiso calc R 1 . . H
  C15  .5726(11)  .8831(10)  .4089(3)  .027(2) Uani d . 1 . . C
  H15  .6443  .9333  .3848  .032 Uiso calc R 1 . . H
  N2  .3827(8)  .8934(8)  .3216(2)  .0222(13) Uani d . 1 . . N
  C21  .4422(11) 1.0458(11)  .2964(2)  .032(2) Uani d . 1 . . C
  H21  .4328 1.1739  .3080  .038 Uiso calc R 1 . . H
  C22  .5165(12) 1.0160(12)  .2539(3)  .037(2) Uani d . 1 . . C
  H22  .5547 1.1222  .2359  .044 Uiso calc R 1 . . H
  C23  .5335(11)  .8264(12)  .2387(3)  .035(2) Uani d . 1 . . C
  H23  .5813  .8025  .2095  .042 Uiso calc R 1 . . H
  C24  .4812(12)  .6711(12)  .2656(3)  .037(2) Uani d . 1 . . C
  H24  .4983  .5413  .2557  .044 Uiso calc R 1 . . H
  C25  .4034(11)  .7094(11)  .3074(3)  .033(2) Uani d . 1 . . C
  H25  .3647  .6051  .3260  .039 Uiso calc R 1 . . H
  CM  .2840(10)  .9355(12)  .3649(2)  .029(2) Uani d . 1 . . C
  HM1  .2704 1.0777  .3684  .035 Uiso calc R 1 . . H
  HM2  .1571  .8783  .3637  .035 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  .02116(18)  .01939(18)  .01993(18)  -.00091(11)  .00251(10)  .00145(11)
  Br1  .0325(4)  .0650(6)  .0265(4)  .0039(4)  -.0056(3)  .0020(4)
  Br2  .0246(4)  .0304(4)  .0308(4)  .0025(3)  .0045(3)  -.0022(3)
  F1  .047(3)  .053(3)  .022(2)  .007(2)  -.0059(19)  .010(2)
  F2  .027(2)  .042(3)  .048(3)  -.001(2)  .014(2)  .004(2)
  F3  .049(3)  .019(2)  .061(3)  -.004(2)  .005(2)  .001(2)
  F4  .041(2)  .018(2)  .040(3)  -.0014(18)  .009(2)  -.0073(19)
  N1  .023(3)  .022(3)  .017(3)  .002(2)  .002(2)  -.001(2)
  C11  .027(4)  .029(4)  .023(4)  -.005(3)  .010(3)  .003(3)
  C12  .053(5)  .042(5)  .019(4)  -.003(4)  .016(3)  .009(4)
  C13  .042(5)  .042(5)  .022(4)  .009(4)  -.004(3)  -.002(4)
  C14  .027(4)  .022(4)  .043(5)  .001(3)  -.004(3)  -.001(3)
  C15  .033(4)  .018(4)  .029(4)  -.004(3)  .005(3)  .000(3)
  N2  .023(3)  .026(3)  .017(3)  .007(2)  -.002(2)  .000(2)
  C21  .050(5)  .019(4)  .025(4)  .000(3)  -.003(3)  .006(3)
  C22  .043(5)  .037(5)  .030(4)  .000(4)  .005(4)  .014(4)
  C23  .028(4)  .048(5)  .028(4)  .008(4)  -.002(3)  -.003(4)
  C24  .044(5)  .040(5)  .026(4)  .013(4)  -.003(4)  -.008(4)
  C25  .038(4)  .025(4)  .035(4)  .012(3)  -.006(3)  .002(3)
  CM  .026(4)  .036(4)  .026(4)  .007(3)  .006(3)  .011(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
  Os F1 . 1.928(4) y
  Os F4 . 1.929(4) y
  Os F3 . 1.930(4) y
  Os F2 . 1.968(4) y
  Os Br1 . 2.4660(10)
  y
  Os Br2 . 2.4680(10)
  y
  N1 C15 . 1.338(10) ?
  N1 C11 . 1.355(9) ?
  N1 CM . 1.469(9) ?
  C11 C12 . 1.371(11) ?
  C11 H11 .  .9400 ?
  C12 C13 . 1.367(12) ?
  C12 H12 .  .9400 ?
  C13 C14 . 1.371(11) ?
  C13 H13 .  .9400 ?
  C14 C15 . 1.389(11) ?
  C14 H14 .  .9400 ?
  C15 H15 .  .9400 ?
  N2 C25 . 1.331(9) ?
  N2 C21 . 1.346(9) ?
  N2 CM . 1.487(9) ?
  C21 C22 . 1.376(11) ?
  C21 H21 .  .9400 ?
  C22 C23 . 1.374(12) ?
  C22 H22 .  .9400 ?
  C23 C24 . 1.376(12) ?
  C23 H23 .  .9400 ?
  C24 C25 . 1.376(11) ?
  C24 H24 .  .9400 ?
  C25 H25 .  .9400 ?
  CM HM1 .  .9800 ?
  CM HM2 .  .9800 ?