#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/70/2007011.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_2007011
loop_
_publ_author_name
'Pascu, Sofia'
'Silaghi-Dumitrescu, Luminita'
'Blake, Alexander J.'
'Li, Wan-Sheung'
'Haiduc, Ionel'
'Sowerby, D. Bryan'
_publ_section_title
;
trans-Dichlorotris(cyclohexyl)arsenic(V)
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              219
_journal_page_last               221
_journal_volume                  54
_journal_year                    1998
_chemical_formula_moiety         'C18 H33 As Cl2'
_chemical_formula_sum            'C18 H33 As Cl2'
_chemical_formula_weight         395.26
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                73.79(2)
_cell_angle_beta                 71.69(2)
_cell_angle_gamma                63.310(10)
_cell_formula_units_Z            2
_cell_length_a                   10.048(2)
_cell_length_b                   10.578(15)
_cell_length_c                   10.611(2)
_cell_measurement_temperature    150(2)
_cell_volume                     943.9(14)
_diffrn_ambient_temperature      150(2)
_diffrn_measurement_device_type
;
Stoe Stadi-4 four-circle diffractometer with Oxford Cryosystems open-flow
cryostat (Cosier & Glazer, 1986)
;
_exptl_crystal_density_diffrn    1.391
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Yes' changed to 'yes' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (5 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2007011
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
As .294646(19) .688643(17) .266049(17) .01539(8) Uani d . 1 . . As
Cl1 .26195(5) .65825(5) .51430(4) .02193(11) Uani d . 1 . . Cl
Cl2 .33111(5) .71328(5) .03655(4) .02406(11) Uani d . 1 . . Cl
C1 .4981(2) .6858(2) .25175(19) .0233(4) Uani d . 1 . . C
H1 .5210 .6488 .3435 .028 Uiso calc R 1 . . H
C2 .4834(2) .8407(2) .2141(3) .0394(6) Uani d . 1 . . C
H2A .4015 .8972 .2821 .047 Uiso calc R 1 . . H
H2B .4544 .8825 .1259 .047 Uiso calc R 1 . . H
C3 .6342(3) .8495(3) .2065(3) .0491(7) Uani d . 1 . . C
H3A .6241 .9500 .1751 .059 Uiso calc R 1 . . H
H3B .6563 .8190 .2974 .059 Uiso calc R 1 . . H
C4 .7646(2) .7554(2) .1119(2) .0331(5) Uani d . 1 . . C
H4A .8611 .7589 .1129 .040 Uiso calc R 1 . . H
H4B .7478 .7920 .0192 .040 Uiso calc R 1 . . H
C5 .7781(2) .6018(2) .1523(2) .0356(5) Uani d . 1 . . C
H5A .8034 .5627 .2420 .043 Uiso calc R 1 . . H
H5B .8622 .5431 .0871 .043 Uiso calc R 1 . . H
C6 .6297(2) .5917(2) .1567(2) .0334(5) Uani d . 1 . . C
H6A .6089 .6227 .0653 .040 Uiso calc R 1 . . H
H6B .6401 .4910 .1873 .040 Uiso calc R 1 . . H
C7 .11461(19) .87353(18) .28569(17) .0171(4) Uani d . 1 . . C
H7 .1277 .9163 .3516 .021 Uiso calc R 1 . . H
C8 .0961(2) .98603(19) .15871(19) .0242(4) Uani d . 1 . . C
H8A .0771 .9512 .0913 .029 Uiso calc R 1 . . H
H8B .1908 1.0036 .1193 .029 Uiso calc R 1 . . H
C9 -.0389(2) 1.12598(19) .1948(2) .0269(4) Uani d . 1 . . C
H9A -.0160 1.1638 .2573 .032 Uiso calc R 1 . . H
H9B -.0529 1.1984 .1122 .032 Uiso calc R 1 . . H
C10 -.1851(2) 1.10199(19) .25982(19) .0233(4) Uani d . 1 . . C
H10A -.2137 1.0736 .1941 .028 Uiso calc R 1 . . H
H10B -.2686 1.1926 .2861 .028 Uiso calc R 1 . . H
C11 -.1659(2) .98580(19) .38345(19) .0229(4) Uani d . 1 . . C
H11A -.2606 .9680 .4203 .028 Uiso calc R 1 . . H
H11B -.1491 1.0191 .4533 .028 Uiso calc R 1 . . H
C12 -.0308(2) .84553(19) .34974(19) .0207(4) Uani d . 1 . . C
H12A -.0172 .7739 .4328 .025 Uiso calc R 1 . . H
H12B -.0516 .8065 .2867 .025 Uiso calc R 1 . . H
C13 .2548(2) .51261(18) .30688(18) .0176(4) Uani d . 1 . . C
H13 .1816 .5146 .3963 .021 Uiso calc R 1 . . H
C14 .4018(2) .38067(19) .3240(2) .0232(4) Uani d . 1 . . C
H14A .4474 .3913 .3887 .028 Uiso calc R 1 . . H
H14B .4765 .3709 .2367 .028 Uiso calc R 1 . . H
C15 .3646(2) .2471(2) .3759(2) .0296(4) Uani d . 1 . . C
H15A .4601 .1610 .3839 .036 Uiso calc R 1 . . H
H15B .2965 .2542 .4666 .036 Uiso calc R 1 . . H
C16 .2874(2) .2309(2) .2823(2) .0308(5) Uani d . 1 . . C
H16A .2590 .1475 .3215 .037 Uiso calc R 1 . . H
H16B .3599 .2126 .1947 .037 Uiso calc R 1 . . H
C17 .1448(2) .3653(2) .2600(2) .0293(4) Uani d . 1 . . C
H17A .0675 .3772 .3458 .035 Uiso calc R 1 . . H
H17B .1011 .3543 .1941 .035 Uiso calc R 1 . . H
C18 .1816(2) .49897(19) .2081(2) .0241(4) Uani d . 1 . . C
H18A .2524 .4913 .1187 .029 Uiso calc R 1 . . H
H18B .0868 .5853 .1984 .029 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
As .01492(11) .01521(11) .01495(11) -.00521(7) -.00344(7) -.00202(7)
Cl1 .0241(2) .0257(2) .0150(2) -.00870(19) -.00503(17) -.00312(17)
Cl2 .0294(2) .0261(2) .0142(2) -.00933(19) -.00472(18) -.00267(17)
C1 .0166(9) .0331(10) .0207(9) -.0106(8) -.0046(7) -.0034(8)
C2 .0226(11) .0327(12) .0702(17) -.0130(9) -.0031(10) -.0236(11)
C3 .0330(13) .0534(15) .0778(19) -.0249(12) -.0078(12) -.0275(14)
C4 .0242(10) .0444(13) .0347(12) -.0210(10) -.0100(9) .0043(10)
C5 .0183(10) .0374(12) .0396(12) -.0090(9) -.0022(9) .0024(10)
C6 .0193(10) .0270(11) .0498(14) -.0092(8) .0019(9) -.0110(10)
C7 .0156(8) .0153(8) .0183(9) -.0037(7) -.0037(7) -.0039(7)
C8 .0194(9) .0207(9) .0244(10) -.0064(8) -.0032(8) .0039(8)
C9 .0242(10) .0169(9) .0324(11) -.0062(8) -.0057(8) .0030(8)
C10 .0189(9) .0202(9) .0275(10) -.0039(8) -.0067(8) -.0036(8)
C11 .0187(9) .0214(9) .0250(10) -.0068(8) -.0024(8) -.0030(8)
C12 .0183(9) .0181(9) .0235(9) -.0072(7) -.0035(7) -.0017(7)
C13 .0185(9) .0149(8) .0191(9) -.0076(7) -.0035(7) -.0015(7)
C14 .0210(9) .0177(9) .0294(10) -.0062(8) -.0084(8) -.0006(8)
C15 .0287(10) .0185(10) .0385(12) -.0080(8) -.0119(9) .0028(8)
C16 .0360(11) .0197(10) .0393(12) -.0132(9) -.0080(9) -.0051(8)
C17 .0310(11) .0260(10) .0382(12) -.0145(9) -.0113(9) -.0062(9)
C18 .0261(10) .0200(9) .0294(10) -.0077(8) -.0124(8) -.0040(8)
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
As Cl1 . 2.4957(7) yes
As Cl2 . 2.3029(7) yes
As C1 . 1.990(2) yes
As C7 . 1.988(2) yes
As C13 . 1.981(3) yes
C1 C6 . 1.516(3) ?
C1 C2 . 1.522(4) ?
C2 C3 . 1.535(3) ?
C3 C4 . 1.508(3) ?
C4 C5 . 1.514(4) ?
C5 C6 . 1.527(3) ?
C7 C8 . 1.526(3) ?
C7 C12 . 1.529(2) ?
C8 C9 . 1.538(3) ?
C9 C10 . 1.516(3) ?
C10 C11 . 1.521(3) ?
C11 C12 . 1.534(3) ?
C13 C18 . 1.524(2) ?
C13 C14 . 1.529(3) ?
C14 C15 . 1.532(3) ?
C15 C16 . 1.523(3) ?
C16 C17 . 1.524(3) ?
C17 C18 . 1.532(3) ?