data_2012707
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2002
_journal_volume  58
_journal_page_first  o254
_journal_page_last  o256
_publ_section_title
;
Arene-arene stacking in the revised structure of 2,2'-bipyridinium
hexafluorophosphate
;
loop_
_publ_author_name
  'Kraus, Florian'
  'Breu, Josef'
_chemical_name_common  'Bipyridinium hexafluorophosphate'
_chemical_formula_moiety  'C10 H9 N2 + , P F6 -'
_chemical_formula_sum  'C10 H9 F6 N2 P'
_chemical_formula_weight  302.16
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  -x,1/2+y,1/2-z
  -x,-y,-z
  x,1/2-y,1/2+z
_cell_length_a  6.1072(4)
_cell_length_b  26.0105(14)
_cell_length_c  7.1380(5)
_cell_angle_alpha  90
_cell_angle_beta  101.416(9)
_cell_angle_gamma  90
_cell_volume  1111.45(13)
_cell_formula_units_Z  4
_cell_measurement_temperature  123(2)
_cell_special_details
_exptl_crystal_density_diffrn  1.806
_diffrn_ambient_temperature  123(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_type_symbol
  N1 0.34527(19) 0.10367(4) 0.32410(16) 0.0202(3) Uani 1.000 N
  N2 0.31439(19) 0.20448(4) 0.29431(16) 0.0218(3) Uani 1.000 N
  C1 0.3204(2) 0.05270(5) 0.32766(19) 0.0228(4) Uani 1.000 C
  C2 0.4682(2) 0.02151(5) 0.25843(18) 0.0225(4) Uani 1.000 C
  C3 0.6392(2) 0.04420(5) 0.18499(18) 0.0221(4) Uani 1.000 C
  C4 0.6587(2) 0.09728(5) 0.18117(18) 0.0207(4) Uani 1.000 C
  C5 0.5079(2) 0.12751(5) 0.25343(16) 0.0184(4) Uani 1.000 C
  C6 0.5045(2) 0.18430(5) 0.25800(17) 0.0193(4) Uani 1.000 C
  C7 0.6836(2) 0.21390(5) 0.22694(19) 0.0220(4) Uani 1.000 C
  C8 0.6626(2) 0.26691(5) 0.22943(19) 0.0246(4) Uani 1.000 C
  C9 0.4677(2) 0.28831(5) 0.26513(19) 0.0247(4) Uani 1.000 C
  C10 0.2994(2) 0.25554(5) 0.29845(19) 0.0240(4) Uani 1.000 C
  P 0.00308(5) 0.094070(10)
  0.74709(4) 0.01760(10)
  Uani 1.000 P
  F1 -0.25948(13) 0.10382(3) 0.71589(13) 0.0298(3) Uani 1.000 F
  F2 -0.04013(15) 0.04768(3) 0.59649(12) 0.0294(3) Uani 1.000 F
  F3 0.01746(14) 0.13359(3) 0.57551(11) 0.0279(3) Uani 1.000 F
  F4 0.04584(15) 0.14050(3) 0.89714(12) 0.0292(3) Uani 1.000 F
  F5 -0.00984(15) 0.05462(3) 0.91659(12) 0.0286(3) Uani 1.000 F
  F6 0.26578(13) 0.08464(3) 0.77507(13) 0.0307(3) Uani 1.000 F
  H1 0.258(3) 0.1221(7) 0.369(2) 0.0240 Uiso 1.000 H
  H1A 0.20400 0.03840 0.37660 0.0270 Uiso 1.000 H
  H2 0.45400 -0.01410 0.26080 0.0270 Uiso 1.000 H
  H3 0.74110 0.02370 0.13820 0.0260 Uiso 1.000 H
  H4 0.77200 0.11250 0.13050 0.0250 Uiso 1.000 H
  H7 0.81370 0.19850 0.20510 0.0260 Uiso 1.000 H
  H8 0.77820 0.28790 0.20730 0.0300 Uiso 1.000 H
  H9 0.44950 0.32380 0.26690 0.0300 Uiso 1.000 H
  H10 0.16970 0.27000 0.32500 0.0290 Uiso 1.000 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
  N1 0.0203(6) 0.0194(6) 0.0222(6) 0.0014(4) 0.0075(5) -0.0007(4)
  N2 0.0216(6) 0.0214(6) 0.0227(6) 0.0013(4) 0.0054(5) -0.0007(4)
  C1 0.0244(7) 0.0213(7) 0.0232(7) -0.0040(5) 0.0061(5) 0.0019(5)
  C2 0.0280(7) 0.0162(6) 0.0225(6) -0.0001(5) 0.0029(5) 0.0001(4)
  C3 0.0251(7) 0.0209(7) 0.0204(6) 0.0031(5) 0.0050(5) -0.0017(5)
  C4 0.0217(7) 0.0204(7) 0.0206(6) -0.0003(5) 0.0058(5) 0.0000(5)
  C5 0.0194(6) 0.0196(7) 0.0158(6) -0.0013(5) 0.0028(5) 0.0003(4)
  C6 0.0207(7) 0.0195(7) 0.0174(6) 0.0013(5) 0.0031(5) 0.0000(4)
  C7 0.0199(6) 0.0209(7) 0.0250(7) -0.0002(5) 0.0040(5) 0.0006(5)
  C8 0.0243(7) 0.0210(7) 0.0273(7) -0.0044(5) 0.0023(6) 0.0008(5)
  C9 0.0285(7) 0.0167(7) 0.0267(7) 0.0009(5) -0.0002(6) 0.0004(5)
  C10 0.0231(7) 0.0211(7) 0.0267(7) 0.0042(5) 0.0026(6) -0.0016(5)
  P 0.0182(2) 0.0139(2) 0.0219(2) -0.00030(10)
  0.0068(2) 0.00010(10)
  F1 0.0197(4) 0.0292(5) 0.0420(5) 0.0020(3) 0.0096(4) 0.0020(3)
  F2 0.0366(5) 0.0221(4) 0.0319(5) -0.0055(3) 0.0127(4) -0.0084(3)
  F3 0.0329(5) 0.0236(4) 0.0288(4) -0.0005(3) 0.0103(4) 0.0071(3)
  F4 0.0375(5) 0.0206(4) 0.0301(5) -0.0026(3) 0.0081(4) -0.0064(3)
  F5 0.0371(5) 0.0216(4) 0.0298(4) 0.0014(3) 0.0130(4) 0.0072(3)
  F6 0.0194(4) 0.0278(5) 0.0457(5) 0.0021(3) 0.0084(4) 0.0026(4)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  P F1 . . 1.5949(9) no
  P F2 . . 1.6028(9) no
  P F3 . . 1.6146(8) no
  P F4 . . 1.6009(9) no
  P F5 . . 1.6003(9) no
  P F6 . . 1.5960(9) no
  N1 C1 . . 1.3352(17) yes
  N1 C5 . . 1.3505(17) yes
  N2 C6 . . 1.3453(17) yes
  N2 C10 . . 1.3320(17) yes
  N1 H1 . . 0.827(18) no
  C1 C2 . . 1.3761(18) yes
  C2 C3 . . 1.3894(18) yes
  C3 C4 . . 1.3865(18) yes
  C4 C5 . . 1.3858(18) yes
  C5 C6 . . 1.4777(18) yes
  C6 C7 . . 1.3908(18) yes
  C7 C8 . . 1.3852(18) yes
  C8 C9 . . 1.3826(18) yes
  C9 C10 . . 1.3915(18) yes
  C1 H1A . . 0.93 no
  C2 H2 . . 0.93 no
  C3 H3 . . 0.93 no
  C4 H4 . . 0.93 no
  C7 H7 . . 0.93 no
  C8 H8 . . 0.93 no
  C9 H9 . . 0.93 no
  C10 H10 . . 0.93 no