#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005307.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_2005307
_journal_name_full 'Acta Crystallographica Section C'
_journal_year       1996
_journal_volume 52
_journal_page_first             1886
_journal_page_last              1889
_publ_section_title
;
N-Phenyl-2-(triphenylstannylseleno)benzamide and
2-Methylseleno-N-phenylbenzamide
;
_chemical_formula_iupac        'C14 H13 N1 O1 Se1'
_chemical_formula_sum          'C14 H13 N1 O1 Se1'
_chemical_formula_weight        290.22
_symmetry_cell_setting          Orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
        'x, y, z'
        'x+1/2, -y+1/2, -z'
        '-x, y+1/2, -z+1/2'
        '-x+1/2, -y, z+1/2'
        '-x, -y, -z'
        '-x-1/2, y-1/2, z'
        'x, -y-1/2, z-1/2'
        'x-1/2, y, -z-1/2'
_symmetry_space_group_name_H-M  'P b c a'
_cell_length_a                  9.777(2)
_cell_length_b                  16.692(2)
_cell_length_c                  15.820(1)
_cell_angle_alpha               90
_cell_angle_beta                90
_cell_angle_gamma               90
_cell_volume                    2581.8(7)
_cell_formula_units_Z           8
_exptl_crystal_density_diffrn   1.493
_cell_measurement_temperature   293(1)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Se      1       .04443(3)
                        .21728(2)
                                .05502(2)
                                        .0554(1)
O       1       .0492(2)
                        .1622(1)
                                .2241(1)
                                        .0621(5)
N       1       .2559(2)
                        .1400(1)
                                .2827(1)
                                        .0463(4)
C1      1       .1760(2)
                        .2809(1)
                                .1151(2)
                                        .0442(5)
C2      1       .2232(2)
                        .2569(1)
                                .1948(1)
                                        .0429(5)
C3      1       .3160(3)
                        .3049(2)
                                .2381(2)
                                        .0553(6)
H3      1       .3474(3)
                        .2891(2)
                                .2910(2)
                                        .063(8)
C4      1       .3620(3)
                        .3760(2)
                                .2032(2)
                                        .0666(7)
H4      1       .4237(3)
                        .4079(2)
                                .2327(2)
                                        .09(1)
C5      1       .3163(3)
                        .3993(2)
                                .1248(2)
                                        .0644(7)
H5      1       .3471(3)
                        .4472(2)
                                .1015(2)
                                        .074(9)
C6      1       .2254(3)
                        .3523(1)
                                .0807(2)
                                        .0542(6)
H6      1       .1964(3)
                        .3683(1)
                                .0273(2)
                                        .062(8)
C7      1       .1687(2)
                        .1825(1)
                                .2348(1)
                                        .0438(5)
C8      1       .2294(2)
                        .0719(1)
                                .3330(1)
                                        .0450(5)
C9      1       .0989(3)
                        .0437(2)
                                .3504(2)
                                        .0558(6)
H9      1       .0227(3)
                        .0685(2)
                                .3269(2)
                                        .056(7)
C10     1       .0834(3)
                        -.0219(2)
                                .4035(2)
                                        .0696(8)
H10     1       -.0041(3)
                        -.0405(2)
                                .4155(2)
                                        .079(9)
C11     1       .1936(4)
                        -.0598(2)
                                .4384(2)
                                        .0739(8)
H11     1       .1813(4)
                        -0.1039(2)
                                .4734(2)
                                        .081(9)
C12     1       .3228(3)
                        -.0320(2)
                                .4211(2)
                                        .0733(8)
H12     1       .3985(3)
                        -.0572(2)
                                .4448(2)
                                        .09(1)
C13     1       .3404(3)
                        .0333(2)
                                .3687(2)
                                        .0600(6)
H13     1       .4283(3)
                        .0517(2)
                                .3572(2)
                                        .059(8)
C14     1       .0722(5)
                        .2586(3)
                                -.0579(2)
                                        .088(1)
H14A    1       .0117(5)
                        .2317(3)
                                -.0964(2)
                                        .14(2)
H14B    1       .1652(5)
                        .2495(3)
                                -.0748(2)
                                        .14(2)
H14C    1       .0534(5)
                        .3150(3)
                                -.0586(2)
                                        .12(2)
H(N)    1       .325(3) .153(1) .281(2) .043(7)