#------------------------------------------------------------------------------
#$Date: 2017-10-14 22:58:33 +0300 (Sat, 14 Oct 2017) $
#$Revision: 202018 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/02/8100286.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_8100286
loop_
_publ_author_name
'Mahalakshmi, H.'
'Jain, V. K.'
'Tiekink, E. R. T.'
_publ_section_title
;
Refinement of the crystal structure of tris(perfluorophenyl)arsine, 
C₁₈F₁₅As, at 173 K
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              67
_journal_page_last               68
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C18 As F15 '
_chemical_formula_structural     ' C18 F15 As '
_chemical_formula_sum            'C18 As F15'
_chemical_formula_weight         576.10
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                102.75(5)
_cell_angle_beta                 107.08(5)
_cell_angle_gamma                109.81(4)
_cell_formula_units_Z            2
_cell_length_a                   10.851(6)
_cell_length_b                   11.012(5)
_cell_length_c                   8.837(5)
_cell_measurement_temperature    173
_cell_volume                     887(1)
_exptl_crystal_density_diffrn    2.156
_cod_original_formula_sum        'C18 As1 F15 '
_cod_database_code               8100286
loop_
_symmetry_equiv_pos_as_xyz
'  +x,  +y,  +z'
'  -x,  -y,  -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
As As 0.17367(3) 0.34683(3) 0.45163(3) 0.02474(7) Uani 1 2 d . . .
F2 F 0.38826(16) 0.52560(17) 0.7921(2) 0.0427(4) Uani 1 2 d . . .
F3 F 0.38310(19) 0.58603(18) 1.1014(2) 0.0514(5) Uani 1 2 d . . .
F4 F 0.1361(2) 0.4599(2) 1.1388(2) 0.0533(5) Uani 1 2 d . . .
F5 F -0.10052(19) 0.2689(2) 0.8674(2) 0.0544(5) Uani 1 2 d . . .
F6 F -0.09702(16) 0.20317(18) 0.55972(19) 0.0430(4) Uani 1 2 d . . .
F8 F 0.17670(16) 0.11239(16) 0.6181(2) 0.0349(3) Uani 1 2 d . . .
F9 F 0.38531(19) 0.03011(18) 0.7102(2) 0.0456(4) Uani 1 2 d . . .
F10 F 0.61493(17) 0.12446(18) 0.6338(2) 0.0526(5) Uani 1 2 d . . .
F11 F 0.63211(18) 0.29338(19) 0.4508(3) 0.0554(5) Uani 1 2 d . . .
F12 F 0.42469(18) 0.37809(16) 0.3590(2) 0.0415(4) Uani 1 2 d . . .
F14 F 0.05685(17) 0.01037(15) 0.2387(2) 0.0377(4) Uani 1 2 d . . .
F15 F -0.19239(19) -0.15596(16) -0.0204(2) 0.0474(4) Uani 1 2 d . . .
F16 F -0.39588(18) -0.06647(19) -0.1206(2) 0.0516(5) Uani 1 2 d . . .
F17 F -0.34597(19) 0.1963(2) 0.0447(2) 0.0537(5) Uani 1 2 d . . .
F18 F -0.09446(18) 0.36545(16) 0.3086(2) 0.0441(4) Uani 1 2 d . . .
C1 C 0.1463(3) 0.3636(2) 0.6650(3) 0.0234(5) Uani 1 2 d . . .
C2 C 0.2653(3) 0.4603(3) 0.8079(3) 0.0289(5) Uani 1 2 d . . .
C3 C 0.2650(3) 0.4930(3) 0.9671(3) 0.0327(6) Uani 1 2 d . . .
C4 C 0.1397(3) 0.4289(3) 0.9853(3) 0.0337(6) Uani 1 2 d . . .
C5 C 0.0199(3) 0.3320(3) 0.8472(3) 0.0339(6) Uani 1 2 d . . .
C6 C 0.0239(3) 0.3005(3) 0.6890(3) 0.0286(5) Uani 1 2 d . . .
C7 C 0.2972(2) 0.2528(2) 0.4916(3) 0.0242(5) Uani 1 2 d . . .
C8 C 0.2903(3) 0.1611(2) 0.5786(3) 0.0265(5) Uani 1 2 d . . .
C9 C 0.3951(3) 0.1181(3) 0.6262(3) 0.0314(5) Uani 1 2 d . . .
C10 C 0.5116(3) 0.1654(3) 0.5855(3) 0.0357(6) Uani 1 2 d . . .
C11 C 0.5207(3) 0.2510(3) 0.4938(3) 0.0360(6) Uani 1 2 d . . .
C12 C 0.4142(3) 0.2940(2) 0.4493(3) 0.0297(5) Uani 1 2 d . . .
C13 C -0.0092(3) 0.1958(2) 0.2839(3) 0.0253(5) Uani 1 2 d . . .
C14 C -0.0394(3) 0.0614(3) 0.1962(3) 0.0278(5) Uani 1 2 d . . .
C15 C -0.1674(3) -0.0261(3) 0.0609(3) 0.0321(6) Uani 1 2 d . . .
C16 C -0.2714(3) 0.0187(3) 0.0100(3) 0.0345(6) Uani 1 2 d . . .
C17 C -0.2460(3) 0.1515(3) 0.0938(3) 0.0352(6) Uani 1 2 d . . .
C18 C -0.1174(3) 0.2359(3) 0.2279(3) 0.0307(5) Uani 1 2 d . . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
As C7 1.953(3) . ?
As C13 1.961(3) . ?
As C1 1.972(2) . ?
F2 C2 1.349(3) . ?
F3 C3 1.334(3) . ?
F4 C4 1.340(3) . ?
F5 C5 1.341(3) . ?
F6 C6 1.342(3) . ?
F8 C8 1.348(3) . ?
F9 C9 1.340(3) . ?
F10 C10 1.338(3) . ?
F11 C11 1.337(3) . ?
F12 C12 1.347(3) . ?
F14 C14 1.344(3) . ?
F15 C15 1.343(3) . ?
F16 C16 1.335(3) . ?
F17 C17 1.337(3) . ?
F18 C18 1.346(3) . ?
C1 C6 1.376(3) . ?
C1 C2 1.383(4) . ?
C2 C3 1.374(4) . ?
C3 C4 1.379(4) . ?
C4 C5 1.368(4) . ?
C5 C6 1.382(4) . ?
C7 C12 1.387(3) . ?
C7 C8 1.394(3) . ?
C8 C9 1.366(4) . ?
C9 C10 1.378(4) . ?
C10 C11 1.371(4) . ?
C11 C12 1.378(4) . ?
C13 C14 1.383(3) . ?
C13 C18 1.388(3) . ?
C14 C15 1.377(4) . ?
C15 C16 1.378(4) . ?
C16 C17 1.375(4) . ?
C17 C18 1.371(4) . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 537048
