data_2011728
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  113
_journal_page_last  114
_publ_section_title
;
4,4'-Dibromo-2,2',3,3',5,5',6,6'-octafluorobiphenyl
;
loop_
_publ_author_name
  'Pilati, Tullio'
  'Metrangolo, Pierangelo'
  'Resnati, Giuseppe'
_chemical_formula_sum  'C12 Br2 F8'
_chemical_formula_weight  455.94
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x-1/2, -y-1/2, z-1/2'
_cell_length_a  13.5489(13)
_cell_length_b  7.4975(10)
_cell_length_c  13.6783(12)
_cell_angle_alpha  90.00
_cell_angle_beta  110.309(8)
_cell_angle_gamma  90.00
_cell_volume  1303.1(2)
_cell_formula_units_Z  4
_cell_measurement_temperature  291.0(10)
_exptl_crystal_density_diffrn  2.324
_diffrn_ambient_temperature  291.0(10)
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
  Br1  .00808(4)  .25356(6)  .38037(3)  .07479(17) Uani d . 1 . . Br
  Br2  .16165(4)  .33724(6) 1.21201(3)  .07808(17) Uani d . 1 . . Br
  F1  .24482(16)  .4064(3)  .75691(15)  .0819(7) Uani d . 1 . . F
  F2  .20354(17)  .3901(3)  .55120(15)  .0882(7) Uani d . 1 . . F
  F3  -.13140(16)  .1556(3)  .50474(14)  .0815(7) Uani d . 1 . . F
  F4  -.09114(15)  .1777(3)  .70977(14)  .0722(6) Uani d . 1 . . F
  F5  .12490(19)  .6121(2)  .85467(14)  .0769(6) Uani d . 1 . . F
  F6  .1591(2)  .6334(3) 1.05885(15)  .0901(7) Uani d . 1 . . F
  F7  .11549(17)  .0120(3) 1.07033(14)  .0738(6) Uani d . 1 . . F
  F8  .07749(16)  -.0078(2)  .86526(14)  .0644(5) Uani d . 1 . . F
  C1  .0785(3)  .2903(4)  .7403(2)  .0444(8) Uani d . 1 . . C
  C2  .1509(3)  .3435(5)  .6956(2)  .0526(9) Uani d . 1 . . C
  C3  .1308(3)  .3344(5)  .5899(2)  .0543(9) Uani d . 1 . . C
  C4  .0362(3)  .2704(4)  .5244(2)  .0500(9) Uani d . 1 . . C
  C5  -.0381(3)  .2171(5)  .5662(2)  .0551(9) Uani d . 1 . . C
  C6  -.0164(3)  .2291(5)  .6720(2)  .0500(9) Uani d . 1 . . C
  C7  .0998(2)  .3022(4)  .8540(2)  .0450(8) Uani d . 1 . . C
  C8  .1222(3)  .4616(4)  .9070(2)  .0511(9) Uani d . 1 . . C
  C9  .1399(3)  .4735(5) 1.0123(2)  .0563(10) Uani d . 1 . . C
  C10  .1378(3)  .3231(5) 1.0689(2)  .0523(9) Uani d . 1 . . C
  C11  .1169(3)  .1623(5) 1.0177(2)  .0495(8) Uani d . 1 . . C
  C12  .0976(3)  .1520(4)  .9122(2)  .0470(8) Uani d . 1 . . C
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
  Br1  .1068(4)  .0737(3)  .04339(19)  .0117(2)  .0255(2)  .00436(19)
  Br2  .0805(3)  .1114(4)  .04391(19)  .0016(3)  .02354(19)  -.0027(2)
  F1  .0520(13)  .1236(18)  .0630(11)  -.0243(13)  .0110(10)  .0025(12)
  F2  .0689(15)  .134(2)  .0734(13)  -.0079(14)  .0395(12)  .0194(13)
  F3  .0609(14)  .1106(18)  .0569(11)  -.0268(13)  .0000(10)  -.0056(12)
  F4  .0522(13)  .1052(17)  .0623(11)  -.0198(12)  .0238(10)  -.0016(11)
  F5  .1178(18)  .0475(12)  .0552(10)  -.0099(12)  .0171(11)  .0078(10)
  F6  .136(2)  .0627(14)  .0615(12)  -.0104(14)  .0222(13)  -.0185(11)
  F7  .0912(16)  .0679(14)  .0626(11)  -.0008(12)  .0272(11)  .0198(11)
  F8  .0840(15)  .0437(11)  .0657(11)  -.0028(11)  .0261(11)  -.0030(10)
  C1  .043(2)  .044(2)  .0436(16)  .0021(16)  .0115(16)  .0034(14)
  C2  .033(2)  .065(2)  .0549(19)  -.0044(18)  .0088(17)  .0025(18)
  C3  .049(2)  .069(2)  .0508(18)  .004(2)  .0252(18)  .0115(18)
  C4  .062(3)  .043(2)  .0448(17)  .0098(18)  .0193(18)  .0043(15)
  C5  .047(2)  .065(3)  .0454(17)  -.0050(19)  .0052(17)  -.0004(16)
  C6  .038(2)  .060(2)  .0529(18)  -.0037(17)  .0167(17)  .0008(17)
  C7  .047(2)  .044(2)  .0411(16)  .0004(16)  .0117(15)  -.0014(14)
  C8  .058(2)  .044(2)  .0457(17)  -.0008(18)  .0100(16)  .0085(16)
  C9  .062(2)  .053(2)  .0472(18)  .0009(19)  .0100(18)  -.0068(18)
  C10  .045(2)  .071(2)  .0398(16)  .0047(19)  .0123(15)  .0024(18)
  C11  .048(2)  .052(2)  .0507(17)  .0032(18)  .0192(16)  .0127(19)
  C12  .047(2)  .046(2)  .0492(17)  .0041(17)  .0187(15)  .0042(17)
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
  Br1 C4 . 1.876(3) NO
  Br2 C10 . 1.872(3) NO
  F1 C2 . 1.343(3) NO
  F2 C3 . 1.337(4) NO
  F3 C5 . 1.334(4) NO
  F4 C6 . 1.343(4) NO
  F5 C8 . 1.344(3) NO
  F6 C9 . 1.340(4) NO
  F7 C11 . 1.341(3) NO
  F8 C12 . 1.342(4) NO
  C1 C6 . 1.379(4) NO
  C1 C2 . 1.382(4) NO
  C1 C7 . 1.483(4) NO
  C2 C3 . 1.377(4) NO
  C3 C4 . 1.370(4) NO
  C4 C5 . 1.380(5) NO
  C5 C6 . 1.376(4) NO
  C7 C8 . 1.377(4) NO
  C7 C12 . 1.386(4) NO
  C8 C9 . 1.378(4) NO
  C9 C10 . 1.374(4) NO
  C10 C11 . 1.373(4) NO
  C11 C12 . 1.376(4) NO