data_2011741
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  174
_journal_page_last  175
_publ_section_title
;
Quinolizinium hexafluorophosphate
;
loop_
_publ_author_name
  'Sato, Kiyoshi'
  'Arai, Sadao'
  'Yamagishi, Takamichi'
  'Tanase, Tomoaki'
_chemical_formula_moiety  'C9 H8 N + , P F6 -'
_chemical_formula_sum  'C9 H8 F6 N1 P1'
_chemical_formula_structural  'C9 H8 N + , P F6 -'
_chemical_formula_weight  275.13
_chemical_melting_point  '272.5-273'
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'C 2/m'
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  x,-y,z
  -x,-y,-z
  -x,y,-z
  1/2+x,1/2+y,z
  1/2+x,1/2-y,z
  1/2-x,1/2-y,-z
  1/2-x,1/2+y,-z
_cell_length_a  8.505(3)
_cell_length_b  9.541(3)
_cell_length_c  6.827(2)
_cell_angle_alpha  90
_cell_angle_beta  115.33(3)
_cell_angle_gamma  90
_cell_volume  500.7(3)
_cell_formula_units_Z  2
_cell_measurement_temperature  145.2
_exptl_crystal_density_diffrn  1.825
_diffrn_ambient_temperature  145.2
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_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
  P1 1 0 3/2  .0212(2) Uani d S 1.00 . . P
  F1  .9788(2) 0 1.2550(2)  .0361(3) Uani d S 1.00 . . F
  F2 1.14610(10)
  .11821(9) 1.5603(2)  .0410(3) Uani d . 1.00 . . F
  N5 1  -.4278(2) 1  .0211(3) Uani d SP  .50 . . N
  C9a 1  -.4278(2) 1  .0211(3) Uani d SP  .50 . . C
  C1  .9306(2)  -.35620(10)
  1.1234(2)  .0265(3) Uani d . 1.00 . . C
  C2  .8607(2)  -.4262(2) 1.2391(2)  .0296(3) Uani d . 1.00 . . C
  H1  .934(2)  -.259(2) 1.119(2)  .03610(5) Uiso d . 1.00 . . H
  H2  .812(2)  -.379(2) 1.318(3)  .04139(6) Uiso d . 1.00 . . 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
_atom_site_aniso_type_symbol
  P1  .0218(3)  .0199(3)  .0217(3) 0  .0092(2) 0 P
  F1  .0454(7)  .0401(7)  .0250(6) 0  .0171(5) 0 F
  F2  .0411(5)  .0390(5)  .0466(5)  -.0187(4)  .0223(4)  -.0105(4) F
  N5  .0186(7)  .0203(8)  .0204(7) 0  .0044(6) 0 N
  C9a  .0186(7)  .0203(8)  .0204(7) 0  .0044(6) 0 C
  C1  .0248(6)  .0245(6)  .0262(6)  .0015(5)  .0070(5)  -.0038(5) C
  C2  .0259(6)  .0377(8)  .0244(6)  .0023(5)  .0100(5)  -.0048(5) C
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
  P1 F1 1_555 1_555 1.6030(10)
  yes
  P1 F1 1_555 3_758 1.6030(10)
  no
  P1 F2 1_555 1_555 1.5962(9) yes
  P1 F2 1_555 2_555 1.5962(9) no
  P1 F2 1_555 3_758 1.5962(9) no
  P1 F2 1_555 4_758 1.5962(9) no
  N5/C9a N5/C9a 1_555 2_545 1.378(3) yes
  N5/C9a C1 1_555 1_555 1.396(2) yes
  N5/C9a C1 1_555 4_757 1.396(2) no
  C1 C2 1_555 1_555 1.352(2) yes
  C2 C2 1_555 2_545 1.408(3) yes