#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004784.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_2004784
_journal_name_full  'Acta Crystallographica'
_journal_year      1996
_journal_volume    'C52'
_journal_page_first     797
_journal_page_last     799
_publ_section_title
;
trans-[Mo(CO)~4~{P(OMe)~3~}~2~]
;
_chemical_formula_iupac     '[Mo (C3 H9 O3 P1)2 (C1 O1)4]'
_chemical_formula_moiety     'C10 H18 Mo O10 P2'
_chemical_formula_sum     'C10 H18 Mo O10 P2'
_chemical_formula_structural     '[Mo(CO)~4~{P(OMe)~3~}~2~]'
_chemical_formula_weight     456.13
_symmetry_cell_setting    'monoclinic'
loop_
_symmetry_equiv_pos_as_xyz
'   +x,   +y,   +z'
'1/2-x,1/2+y,1/2-z'
'   -x,   -y,   -z'
'1/2+x,1/2-y,1/2+z'
_symmetry_space_group_name_H-M     'P 21/n'
_cell_length_a     6.992(3)
_cell_length_b     13.356(5)
_cell_length_c     9.521(3)
_cell_angle_alpha     90
_cell_angle_beta     104.05(3)
_cell_angle_gamma     90
_cell_volume     862.5(5)
_cell_formula_units_Z     2
_exptl_crystal_density_diffrn     1.756
_cell_measurement_temperature     150.0
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mo 0 0 0  .01490(10)
P(1)  .12420(10)
                .08862(6)  .22614(9)  .0162(2)
O(1)  .1450(4)  .1682(2) -0.1878(3)  .0317(7)
O(2)  .4035(4) -0.1162(2)  .0196(3)  .0326(7)
O(3)  .3162(3)  .0490(2)  .3418(2)  .0211(6)
O(4)  -.0307(3)  .0856(2)  .3246(2)  .0200(6)
O(5)  .1896(3)  .2043(2)  .2274(2)  .0221(6)
C(1)  .0936(5)  .1080(2) -0.1198(3)  .0191(8)
C(2)  .2587(5)  -.0742(2)  .0148(3)  .0209(9)
C(3)  .5099(5)  .0590(3)  .3135(4)  .0256(9)
C(4)  .0116(5)  .1333(3)  .4665(4)  .0254(9)
C(5)  .0547(5)  .2776(2)  .1466(4)  .0277(10)
H(1)  .5392  .1274  .3013  .0308
H(2)  .5152  .0231  .2274  .0308
H(3)  .6087  .0320  .3922  .0308
H(4)  .1260  .1044  .5280  .0325
H(5) -0.0972  .1246  .5097  .0325
H(6)  .0333  .2034  .4574  .0325
H(7) -0.0633  .2785  .1812  .0343
H(8)  .1126  .3419  .1583  .0343
H(9)  .0204  .2601  .0467  .0343