#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2200793.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_2200793
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2001
_journal_volume  57
_journal_page_first  m531
_journal_page_last  m532
_publ_section_title
;
{[\m,\h^2^-Bis(trimethylstannyl)]acetylene}hexacarbonyldicobalt
;
loop_
_publ_author_name
  'Zachwieja, Uwe'
  'Preut, Hans'
  'Mitchell, Terence'
  'Zavgorodnii, Vladislav S.'
  'Golosovskii, Andrei V.'
  'Klyuchinskii, Sergei A.'
_chemical_formula_moiety  'C14 H18 Co2 O6 Sn2'
_chemical_formula_sum  'C14 H18 Co2 O6 Sn2'
_chemical_formula_iupac  '[Co2 (C8 H18 Sn2) (CO)6]'
_chemical_formula_weight  637.52
_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  8.659(4)
_cell_length_b  10.0360(17)
_cell_length_c  13.292(3)
_cell_angle_alpha  91.731(16)
_cell_angle_beta  91.17(3)
_cell_angle_gamma  109.09(2)
_cell_volume  1090.5(6)
_cell_formula_units_Z  2
_cell_measurement_temperature  293.0(10)
_exptl_crystal_density_diffrn  1.942
_diffrn_ambient_temperature  293.0(10)
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
  Sn1  .23433(3)  .46053(3)  .251823(19)  .04642(10) Uani d . 1 . . Sn
  Sn2  .54726(3)  .94962(3)  .21592(2)  .04575(10) Uani d . 1 . . Sn
  Co1  .09136(6)  .76295(5)  .17469(4)  .04472(14) Uani d . 1 . . Co
  Co2  .16469(6)  .78922(6)  .35914(4)  .04702(14) Uani d . 1 . . Co
  O1  .0671(6) 1.0421(4)  .1399(4)  .1016(13) Uani d . 1 . . O
  O2  -.2450(5)  .5692(5)  .1871(4)  .1063(15) Uani d . 1 . . O
  O3  .1587(6)  .6853(6)  -.0283(3)  .1123(15) Uani d . 1 . . O
  O4  -.1387(6)  .5951(6)  .4359(4)  .126(2) Uani d . 1 . . O
  O5  .1589(6) 1.0769(4)  .3971(3)  .1030(14) Uani d . 1 . . O
  O6  .3909(6)  .7805(5)  .5218(3)  .1100(16) Uani d . 1 . . O
  C1  .0780(6)  .9363(5)  .1549(3)  .0631(11) Uani d . 1 . . C
  C2  -.1150(5)  .6445(5)  .1830(3)  .0638(11) Uani d . 1 . . C
  C3  .1323(6)  .7160(5)  .0501(3)  .0666(11) Uani d . 1 . . C
  C4  -.0236(7)  .6703(6)  .4058(4)  .0759(14) Uani d . 1 . . C
  C5  .1607(6)  .9664(5)  .3817(3)  .0643(11) Uani d . 1 . . C
  C6  .3017(6)  .7841(5)  .4595(3)  .0662(12) Uani d . 1 . . C
  C7  .2264(4)  .6713(4)  .2535(3)  .0418(7) Uani d . 1 . . C
  C8  .3120(4)  .8039(4)  .2425(3)  .0412(7) Uani d . 1 . . C
  C9  .4148(6)  .4613(6)  .3624(4)  .0697(12) Uani d . 1 . . C
  H9A  .5213  .5099  .3381  .105 Uiso calc R 1 . . H
  H9B  .4066  .3660  .3762  .105 Uiso calc R 1 . . H
  H9C  .3980  .5085  .4231  .105 Uiso calc R 1 . . H
  C10  .3025(8)  .4188(6)  .1041(4)  .0757(14) Uani d . 1 . . C
  H10A  .4168  .4682  .0965  .114 Uiso calc R 1 . . H
  H10B  .2398  .4500  .0554  .114 Uiso calc R 1 . . H
  H10C  .2815  .3192  .0938  .114 Uiso calc R 1 . . H
  C11  -.0033(6)  .3260(5)  .2861(4)  .0756(14) Uani d . 1 . . C
  H11A  .0011  .2343  .3010  .113 Uiso calc R 1 . . H
  H11B  -.0765  .3179  .2293  .113 Uiso calc R 1 . . H
  H11C  -.0418  .3650  .3434  .113 Uiso calc R 1 . . H
  C12  .5244(6) 1.1542(4)  .2171(4)  .0655(11) Uani d . 1 . . C
  H12A  .4192 1.1482  .1890  .098 Uiso calc R 1 . . H
  H12B  .6085 1.2150  .1777  .098 Uiso calc R 1 . . H
  H12C  .5351 1.1918  .2851  .098 Uiso calc R 1 . . H
  C13  .7062(6)  .9255(6)  .3335(4)  .0750(13) Uani d . 1 . . C
  H13A  .6663  .9439  .3975  .113 Uiso calc R 1 . . H
  H13B  .8141  .9907  .3255  .113 Uiso calc R 1 . . H
  H13C  .7097  .8308  .3304  .113 Uiso calc R 1 . . H
  C14  .6169(7)  .8873(7)  .0737(4)  .0803(15) Uani d . 1 . . C
  H14A  .6323  .7972  .0786  .120 Uiso calc R 1 . . H
  H14B  .7171  .9561  .0547  .120 Uiso calc R 1 . . H
  H14C  .5326  .8805  .0239  .120 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
  Sn1  .04805(17)  .04004(15)  .05211(17)  .01603(11)  -.00076(11)
  -.00017(10)
  Sn2  .03709(15)  .04657(16)  .05209(16)  .01188(11)  .00044(10)  .00039(10)
  Co1  .0395(3)  .0487(3)  .0464(3)  .0152(2)  -.00260(19)  .0017(2)
  Co2  .0472(3)  .0536(3)  .0437(3)  .0215(2)  .0020(2)  -.0023(2)
  O1  .120(4)  .073(2)  .127(4)  .053(3)  .000(3)  .019(2)
  O2  .052(2)  .123(4)  .116(3)  -.008(2)  .001(2)  .009(3)
  O3  .129(4)  .156(4)  .054(2)  .052(3)  .002(2)  -.013(2)
  O4  .085(3)  .158(5)  .101(3)  -.010(3)  .039(3)  .016(3)
  O5  .136(4)  .078(3)  .113(3)  .063(3)  -.021(3)  -.028(2)
  O6  .126(4)  .160(5)  .066(2)  .082(3)  -.028(2)  -.009(3)
  C1  .058(3)  .070(3)  .067(3)  .029(2)  -.008(2)  .005(2)
  C2  .046(2)  .075(3)  .064(3)  .012(2)  -.0060(18)  .002(2)
  C3  .064(3)  .088(3)  .048(2)  .026(2)  -.0059(19)  -.004(2)
  C4  .071(3)  .094(4)  .057(3)  .020(3)  .014(2)  -.003(2)
  C5  .067(3)  .077(3)  .060(2)  .042(2)  -.007(2)  -.010(2)
  C6  .080(3)  .083(3)  .044(2)  .040(3)  -.003(2)  -.0070(19)
  C7  .0419(18)  .0432(17)  .0431(17)  .0182(14)  .0008(13)  -.0003(13)
  C8  .0364(16)  .0440(17)  .0446(18)  .0153(14)  -.0009(13)  .0002(14)
  C9  .069(3)  .078(3)  .071(3)  .038(3)  -.011(2)  .001(2)
  C10  .096(4)  .076(3)  .063(3)  .040(3)  .008(2)  -.011(2)
  C11  .061(3)  .057(3)  .096(4)  .002(2)  .002(2)  .010(2)
  C12  .064(3)  .043(2)  .086(3)  .0130(19)  -.004(2)  .000(2)
  C13  .055(3)  .090(3)  .080(3)  .024(2)  -.017(2)  .007(3)
  C14  .081(4)  .101(4)  .064(3)  .038(3)  .015(3)  -.007(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
  Sn1 C9 . 2.121(5) ?
  Sn1 C11 . 2.127(5) ?
  Sn1 C10 . 2.131(5) ?
  Sn1 C7 . 2.138(3) ?
  Sn2 C12 . 2.126(4) ?
  Sn2 C8 . 2.127(4) ?
  Sn2 C13 . 2.133(5) ?
  Sn2 C14 . 2.133(5) ?
  Co1 C3 . 1.781(5) ?
  Co1 C2 . 1.801(5) ?
  Co1 C1 . 1.808(5) ?
  Co1 C7 . 2.006(4) ?
  Co1 C8 . 2.006(4) ?
  Co1 Co2 . 2.5043(9) ?
  Co2 C6 . 1.780(5) ?
  Co2 C5 . 1.806(5) ?
  Co2 C4 . 1.811(5) ?
  Co2 C7 . 2.000(3) ?
  Co2 C8 . 2.007(4) ?
  O1 C1 . 1.119(6) ?
  O2 C2 . 1.136(6) ?
  O3 C3 . 1.127(6) ?
  O4 C4 . 1.125(6) ?
  O5 C5 . 1.127(6) ?
  O6 C6 . 1.130(6) ?
  C7 C8 . 1.309(5) ?
  C9 H9A .  .9600 ?
  C9 H9B .  .9600 ?
  C9 H9C .  .9600 ?
  C10 H10A .  .9600 ?
  C10 H10B .  .9600 ?
  C10 H10C .  .9600 ?
  C11 H11A .  .9600 ?
  C11 H11B .  .9600 ?
  C11 H11C .  .9600 ?
  C12 H12A .  .9600 ?
  C12 H12B .  .9600 ?
  C12 H12C .  .9600 ?
  C13 H13A .  .9600 ?
  C13 H13B .  .9600 ?
  C13 H13C .  .9600 ?
  C14 H14A .  .9600 ?
  C14 H14B .  .9600 ?
  C14 H14C .  .9600 ?