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#$Date: 2008-04-03 13:11:48 +0300 (Thu, 03 Apr 2008) $
#$Revision: 326 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2100952.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_2100952
loop_
_publ_author_name
'Alcock, N. W.'
'Ravindran, M.'
'Willey, G. R.'
_publ_section_title
;
 Preparations and structural correlations for the complexes of
 <i>M</i>^III^ halides (<i>M</i> = As, Sb, Bi) with crown ethers:
 structures of AsCl~3~.12-crown-4, AsCl~3~.15-crown-5,
 SbCl~3~.12-crown-4 and BiCl~3~.15-crown-5 and an evaluation of
 relative binding strengths for crown ligands
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              507
_journal_page_last               514
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C10 H20 O5,As Cl3'
_chemical_formula_sum            'C10 H20 As Cl3 O5'
_chemical_formula_weight         401.6
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_formula_units_Z            4
_cell_length_a                   7.731(3)
_cell_length_b                   12.815(4)
_cell_length_c                   16.011(6)
_cell_volume                     1586
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.266
_exptl_crystal_density_diffrn    1.68
_[local]_cod_data_source_file    ha0112.cif
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
As(1) .23442(4) .49740(4) .62527(3) .0370(10)
Cl(1) .0981(2) .38034(9) .70223(10) .0550(10)
Cl(2) .02896(16) .5012(11) .52865(7) .0540(10)
Cl(3) .13752(19) .63574(9) .69210(10) .0530(10)
O(1) .4230(5) .6338(2) .5025(2) .0480(10)
O(2) .4015(5) .4124(2) .4672(2) .0500(10)
O(3) .4869(5) .3150(3) .6229(2) .0540(10)
O(4) .4815(5) .4620(3) .7623(2) .0550(10)
O(5) .5575(5) .6388(2) .6665(2) .0480(10)
C(1) .5163(8) .5855(4) .4379(3) .057(2)
C(2) .4179(8) .4922(4) .4069(3) .056(2)
C(3) .5513(8) .3507(4) .4756(3) .058(2)
C(4) .5189(8) .2723(3) .5435(3) .058(2)
C(5) .6343(8) .3533(4) .6619(4) .063(2)
C(6) .5984(9) .3771(4) .7508(4) .066(2)
C(7) .5557(8) .5537(4) .7952(3) .054(2)
C(8) .6653(7) .6110(4) .7339(3) .055(2)
C(9) .6445(8) .6927(4) .6008(3) .051(2)
C(10) .5096(8) .7215(3) .5376(3) .056(2)
H(1a) .6268 .5632 .4586 ?
H(1b) .5353 .6337 .3930 ?
H(2a) .3043 .5145 .3906 ?
H(2b) .4744 .4646 .3583 ?
H(3a) .6464 .3948 .4910 ?
H(3b) .5787 .3173 .4236 ?
H(4a) .4225 .2297 .5273 ?
H(4b) .6188 .2280 .5469 ?
H(5a) .6694 .4165 .6345 ?
H(5b) .7268 .3036 .6573 ?
H(6a) .5480 .3160 .7756 ?
H(6b) .7049 .3913 .7794 ?
H(7a) .6248 .5360 .8429 ?
H(7b) .4638 .5985 .8136 ?
H(8a) .7146 .6724 .7586 ?
H(8b) .7575 .5670 .7146 ?
H(9a) .7297 .6485 .5752 ?
H(9b) .7009 .7539 .6221 ?
H(10a) .4238 .7633 .5652 ?
H(10b) .5597 .7627 .4938 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
As(1) Cl(1) 2.209(2)
As(1) Cl(3) 2.202(2)
As(1) O(2) 3.043(4)
As(1) O(4) 2.944(4)
O(1) C(2) 2.374(6)
O(1) C(10) 1.424(6)
O(2) C(2) 1.412(6)
O(2) C(4) 2.353(6)
O(3) C(4) 1.406(6)
O(3) C(6) 2.360(7)
O(4) C(6) 1.426(7)
O(4) C(8) 2.423(6)
O(5) C(8) 1.409(6)
O(5) C(10) 2.349(6)
C(1) C(10) 2.364(7)
C(3) C(4) 1.501(7)
C(5) C(6) 1.482(8)
C(7) C(8) 1.490(8)
C(9) C(10) 1.499(8)
As(1) Cl(2) 2.218(2)
As(1) O(1) 3.008(4)
As(1) O(3) 3.046(4)
O(1) C(1) 1.404(6)
O(1) C(9) 2.445(7)
O(2) C(1) 2.435(6)
O(2) C(3) 1.408(7)
O(3) C(3) 2.453(6)
O(3) C(5) 1.390(7)
O(4) C(5) 2.432(7)
O(4) C(7) 1.410(6)
O(5) C(7) 2.332(6)
O(5) C(9) 1.427(6)
C(1) C(2) 1.501(8)
C(2) C(3) 2.358(7)
C(4) C(5) 2.338(8)
C(6) C(7) 2.395(7)
C(8) C(9) 2.380(7)