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#$Date: 2016-02-14 14:26:36 +0000 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/03/2000354.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000354
loop_
_publ_author_name
'Owens, B. E.'
'Poli, R.'
_publ_section_title
;
 Structures of two molybdenum oxo complexes [MoOCl~3~(OPPh~3~)~2~] and
 [MoOI(dmpe)~2~]I
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2137
_journal_page_last               2140
_journal_paper_doi               10.1107/S010827019200475X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C36 H30 Cl3 Mo1 O3 P2'
_chemical_formula_sum            'C36 H30 Cl3 Mo O3 P2'
_chemical_formula_weight         774.88
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.080(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.041(2)
_cell_length_b                   13.1260(10)
_cell_length_c                   19.210(4)
_cell_volume                     3520.5(9)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    6.406
_exptl_crystal_density_diffrn    1.46
_exptl_crystal_F_000             1572
_cod_data_source_file            gr0199.cif
_cod_data_source_block           gr0199a
_cod_original_cell_volume        3521(2)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C36 H30 Cl3 Mo1 O3 P2'
_cod_database_code               2000354
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mo 1.0000 .37391(6) 0.25
Cl(1) 1.16100(10) .3558(2) .30000(10)
Cl(2) 1.0461(4) .5009(4) .1859(2)
P(1) 1.0207 .17970(10) .12445(8)
O(1) 1.0322(3) .2559(4) .1834(2)
O(2) .9770(10) .4520(10) .3282(8)
C(10) 1.1378(5) .1493(6) .1010(3)
C(11) 1.2128(6) .1454(7) .1537(5)
C(12) 1.3048(7) .1164(8) .1354(7)
C(13) 1.3175(7) .0915(9) .0675(6)
C(14) 1.2428(8) .0940(10) .0183(7)
C(15) 1.1518(7) .1226(8) .0332(5)
C(20) .9624(5) .0647(6) .1489(3)
C(21) 1.0030(6) -.0300(7) .1423(5)
C(22) .9510(10) -.1135(7) .1591(6)
C(23) .8625(9) -.1067(9) .1841(6)
C(24) .8252(6) -.0136(8) .1928(5)
C(25) .8741(6) .0741(7) .1745(4)
C(30) .9534(4) .2285(6) .0485(3)
C(31) .8873(6) .1699(7) .0071(4)
C(32) .8406(7) .2060(10) -.0547(5)
C(33) .8580(7) .3060(10) -.0725(5)
C(34) .9160(10) .3654(9) -.0366(5)
C(35) .9674(7) .3290(7) .0269(4)
H(11) 1.2005 .1619 .2009
H(12) 1.3583 .1121 .1716
H(13) 1.3806 .0746 .0536
H(14) 1.2525 .0724 -.0296
H(15) 1.0986 .1256 -.0026
H(21) 1.0661 -.0387 .1252
H(22) .9777 -.1799 .1527
H(23) .8299 -.1661 .1971
H(24) .7643 -.0066 .2119
H(25) .8455 .1406 .1773
H(31) .8751 .0994 .0228
H(32) .7958 .1637 -.0842
H(33) .8241 .3329 -.1147
H(34) .9244 .4360 -.0513
H(35) 1.0114 .3714 .0555
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Mo Cl(1) 2.373(2)
Mo Cl(2) 2.210(4)
Mo O(1) 2.090(5)
Mo O(2) 1.87(2)
P(1) O(1) 1.506(5)
P(1) C(10) 1.795(7)
P(1) C(20) 1.803(8)
P(1) C(30) 1.772(7)