#------------------------------------------------------------------------------
#$Date: 2017-10-14 22:58:33 +0300 (Sat, 14 Oct 2017) $
#$Revision: 202018 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/02/8100288.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_8100288
loop_
_publ_author_name
'Mahalakshmi, H.'
'Jain, V. K.'
'Tiekink, E. R. T.'
_publ_section_title
;
Crystal structure of tris(perfluorophenyl)stibine, C₁₈F₁₅Sb
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              71
_journal_page_last               72
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C18 F15 Sb '
_chemical_formula_structural     ' C18 F15 Sb '
_chemical_formula_sum            'C18 F15 Sb'
_chemical_formula_weight         622.92
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.00(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.9402(8)
_cell_length_b                   20.390(6)
_cell_length_c                   15.024(3)
_cell_measurement_temperature    173
_cell_volume                     1817.2(6)
_diffrn_ambient_temperature      173
_diffrn_orient_matrix_UB_11      0.12799
_diffrn_orient_matrix_UB_12      -0.03052
_diffrn_orient_matrix_UB_13      -0.00983
_diffrn_orient_matrix_UB_21      0.01954
_diffrn_orient_matrix_UB_22      0.02032
_diffrn_orient_matrix_UB_23      -0.05972
_diffrn_orient_matrix_UB_31      0.10795
_diffrn_orient_matrix_UB_32      0.03257
_diffrn_orient_matrix_UB_33      0.02791
_exptl_crystal_density_diffrn    2.277
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C18 F15 Sb1 '
_cod_database_code               8100288
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
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
Sb Sb 0.10201(4) 0.057787(13) 0.204667(17) 0.02150(7) Uani 1 4 d . . .
F2 F -0.3771(4) -0.01464(11) 0.26741(15) 0.0272(5) Uani 1 4 d . . .
F3 F -0.4978(4) -0.14130(12) 0.27203(17) 0.0356(6) Uani 1 4 d . . .
F4 F -0.2338(5) -0.23438(12) 0.20190(18) 0.0435(7) Uani 1 4 d . . .
F5 F 0.1559(5) -0.20010(12) 0.12696(19) 0.0448(7) Uani 1 4 d . . .
F6 F 0.2807(4) -0.07342(11) 0.12378(16) 0.0324(6) Uani 1 4 d . . .
F8 F -0.3705(4) 0.12758(12) 0.29488(15) 0.0304(5) Uani 1 4 d . . .
F9 F -0.4507(4) 0.15505(12) 0.46334(17) 0.0397(6) Uani 1 4 d . . .
F10 F -0.1510(5) 0.12079(14) 0.59785(16) 0.0463(7) Uani 1 4 d . . .
F11 F 0.2388(4) 0.05942(14) 0.56050(15) 0.0419(6) Uani 1 4 d . . .
F12 F 0.3256(4) 0.03187(12) 0.39062(16) 0.0335(6) Uani 1 4 d . . .
F14 F 0.0547(4) 0.20524(12) 0.17097(18) 0.0398(6) Uani 1 4 d . . .
F15 F -0.2481(5) 0.28602(12) 0.08595(19) 0.0459(7) Uani 1 4 d . . .
F16 F -0.6216(4) 0.23464(13) 0.00016(18) 0.0451(7) Uani 1 4 d . . .
F17 F -0.6892(4) 0.10340(12) -0.00159(17) 0.0385(6) Uani 1 4 d . . .
F18 F -0.3896(4) 0.02330(11) 0.08075(16) 0.0339(6) Uani 1 4 d . . .
C1 C -0.0411(6) -0.03995(18) 0.1979(2) 0.0216(8) Uani 1 4 d . . .
C2 C -0.2380(6) -0.0597(2) 0.2341(2) 0.0216(7) Uani 1 4 d . . .
C3 C -0.3057(6) -0.1240(2) 0.2365(3) 0.0249(8) Uani 1 4 d . . .
C4 C -0.1709(7) -0.17121(19) 0.2005(3) 0.0288(9) Uani 1 4 d . . .
C5 C 0.0268(7) -0.1539(2) 0.1627(3) 0.0283(9) Uani 1 4 d . . .
C6 C 0.0877(6) -0.0888(2) 0.1621(3) 0.0259(9) Uani 1 4 d . . .
C7 C -0.0155(6) 0.08018(18) 0.3360(2) 0.0223(8) Uani 1 4 d . . .
C8 C -0.2127(6) 0.11071(18) 0.3579(3) 0.0246(8) Uani 1 4 d . . .
C9 C -0.2592(6) 0.1248(2) 0.4449(3) 0.0272(9) Uani 1 4 d . . .
C10 C -0.1058(7) 0.1074(2) 0.5132(3) 0.0297(9) Uani 1 4 d . . .
C11 C 0.0887(7) 0.0770(2) 0.4942(3) 0.0286(9) Uani 1 4 d . . .
C12 C 0.1312(6) 0.0632(2) 0.4068(3) 0.0262(8) Uani 1 4 d . . .
C13 C -0.1588(6) 0.11189(19) 0.1299(2) 0.0226(8) Uani 1 4 d . . .
C14 C -0.1292(6) 0.1792(2) 0.1274(3) 0.0266(9) Uani 1 4 d . . .
C15 C -0.2808(7) 0.2212(2) 0.0854(3) 0.0299(9) Uani 1 4 d . . .
C16 C -0.4691(7) 0.1952(2) 0.0426(3) 0.0305(9) Uani 1 4 d . . .
C17 C -0.5043(7) 0.1286(2) 0.0410(3) 0.0272(9) Uani 1 4 d . . .
C18 C -0.3474(7) 0.08802(19) 0.0841(3) 0.0234(8) Uani 1 4 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
Sb C13 2.167(4) . ?
Sb C1 2.167(4) . ?
Sb C7 2.176(4) . ?
F2 C2 1.349(4) . ?
F3 C3 1.332(4) . ?
F4 C4 1.342(5) . ?
F5 C5 1.344(4) . ?
F6 C6 1.346(4) . ?
F8 C8 1.343(4) . ?
F9 C9 1.336(4) . ?
F10 C10 1.341(4) . ?
F11 C11 1.350(4) . ?
F12 C12 1.353(4) . ?
F14 C14 1.352(4) . ?
F15 C15 1.336(5) . ?
F16 C16 1.347(4) . ?
F17 C17 1.344(4) . ?
F18 C18 1.344(4) . ?
C1 C2 1.375(5) . ?
C1 C6 1.382(5) . ?
C2 C3 1.372(6) . ?
C3 C4 1.381(6) . ?
C4 C5 1.377(6) . ?
C5 C6 1.377(6) . ?
C7 C8 1.381(5) . ?
C7 C12 1.383(5) . ?
C8 C9 1.380(5) . ?
C9 C10 1.383(6) . ?
C10 C11 1.355(6) . ?
C11 C12 1.380(5) . ?
C13 C18 1.373(5) . ?
C13 C14 1.385(5) . ?
C14 C15 1.372(6) . ?
C15 C16 1.367(6) . ?
C16 C17 1.374(6) . ?
C17 C18 1.381(5) . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 516971
