#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/72/2007202.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_2007202
loop_
_publ_author_name
'Jebamony, Justin Robert'
'Thomas Muthiah, Packianathan'
_publ_section_title
;
 8-Hydroxyquinolinium Salicylate-Salicylic Acid
 Complex, C~9~H~8~NO^+^.C~7~H~5~O~3~^-^.C~7~H~6~O~3~
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              539
_journal_page_last               540
_journal_volume                  54
_journal_year                    1998
_chemical_formula_iupac          'C9 H8 N O + , C7 H5 O3 - , C7 H6 O3'
_chemical_formula_sum            'C23 H19 N O7'
_chemical_formula_weight         421.39
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                86.702(9)
_cell_angle_beta                 88.222(11)
_cell_angle_gamma                72.206(9)
_cell_formula_units_Z            2
_cell_length_a                   9.8899(13)
_cell_length_b                   10.1168(10)
_cell_length_c                   10.5673(9)
_cell_measurement_temperature    293(2)
_cell_volume                     1005.0(2)
_exptl_crystal_density_diffrn    1.393
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Yes' changed to 'yes' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (9
times).

'_geom_bond_publ_flag' value 'No' changed to 'no' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (42 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2007202
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 .0365(5) .0361(5) .0415(5) -.0114(4) -.0054(4) -.0038(4)
O8 .0512(5) .0386(5) .0594(6) -.0157(4) -.0105(4) -.0118(4)
O11 .0870(9) .1097(10) .0852(9) -.0714(8) .0338(7) -.0415(8)
O17 .0500(5) .0444(5) .0464(5) -.0164(4) .0026(4) -.0133(4)
O17A .0474(5) .0495(5) .0692(6) -.0201(4) .0003(4) -.0240(5)
O18 .0767(7) .0481(6) .0676(7) -.0029(5) -.0260(6) -.0102(5)
O24 .0576(6) .0416(5) .0474(5) -.0106(4) -.0047(4) -.0062(4)
O24A .0542(6) .0555(6) .0585(6) -.0091(5) -.0184(5) -.0144(5)
C2 .0485(7) .0354(6) .0511(7) -.0078(6) -.0062(6) -.0031(5)
C3 .0629(9) .0337(7) .0570(8) -.0134(6) -.0084(6) -.0083(6)
C4 .0564(8) .0455(7) .0501(7) -.0217(6) -.0121(6) -.0078(6)
C5 .0482(8) .0528(8) .0586(8) -.0118(6) -.0194(6) -.0023(6)
C6 .0471(8) .0464(8) .0656(9) -.0013(6) -.0130(7) .0009(6)
C7 .0487(7) .0349(7) .0578(8) -.0072(6) .0006(6) -.0056(6)
C8 .0390(6) .0360(6) .0427(6) -.0148(5) .0015(5) -.0055(5)
C9 .0340(6) .0343(6) .0377(6) -.0114(5) -.0004(5) -.0019(5)
C10 .0424(7) .0395(6) .0428(6) -.0152(5) -.0060(5) -.0021(5)
C11 .0580(8) .0498(8) .0577(8) -.0275(7) .0095(6) -.0126(6)
C12 .0781(11) .0694(10) .0505(8) -.0346(9) .0168(8) -.0137(7)
C13 .0751(10) .0600(9) .0423(7) -.0232(8) -.0035(7) -.0118(6)
C14 .0503(8) .0503(8) .0517(8) -.0168(6) -.0110(6) -.0087(6)
C15 .0384(6) .0377(6) .0475(7) -.0089(5) -.0028(5) -.0069(5)
C16 .0414(6) .0294(6) .0460(7) -.0088(5) -.0019(5) -.0058(5)
C17 .0404(6) .0273(6) .0504(7) -.0071(5) -.0039(5) -.0075(5)
C18 .0538(8) .0454(7) .0403(7) -.0156(6) -.0040(6) -.0036(5)
C19 .0747(10) .0489(8) .0517(8) -.0218(7) -.0047(7) -.0108(6)
C20 .0834(11) .0671(10) .0530(9) -.0297(9) -.0154(8) -.0137(7)
C21 .0728(11) .0735(11) .0548(9) -.0195(9) -.0258(8) -.0059(8)
C22 .0572(8) .0530(9) .0467(7) -.0125(7) -.0088(6) -.0047(6)
C23 .0454(7) .0452(7) .0353(6) -.0169(6) -.0003(5) -.0034(5)
C24 .0437(7) .0426(7) .0390(6) -.0153(5) .0000(5) -.0030(5)
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
N1 .22679(10) .64238(10) .56500(10) .0378(2) Uani
O8 .27469(10) .38243(10) .49170(9) .0487(2) Uani
O11 .57177(14) -.0747(2) .81012(13) .0840(4) Uani
O17 .86961(9) -.08557(9) .52503(8) .0461(2) Uani
O17A .67217(10) -.13242(10) .58974(10) .0533(3) Uani
O18 -.08016(13) .60920(11) .72319(11) .0669(3) Uani
O24 .15191(10) .19390(9) .67667(9) .0496(2) Uani
O24A -.03586(10) .37129(10) .61893(9) .0569(3) Uani
C2 .19729(15) .77358(13) .59498(13) .0460(3) Uani
C3 .2841(2) .81155(14) .67731(14) .0511(3) Uani
C4 .3992(2) .71276(14) .72726(13) .0488(3) Uani
C5 .5519(2) .4663(2) .74026(14) .0536(3) Uani
C6 .5752(2) .3341(2) .70388(15) .0558(4) Uani
C7 .48374(15) .30060(14) .62124(14) .0483(3) Uani
C8 .36798(13) .40156(12) .57296(11) .0384(3) Uani
C9 .34192(12) .53916(12) .61053(11) .0351(3) Uani
C10 .43256(13) .57310(13) .69487(12) .0408(3) Uani
C11 .6807(2) -.02329(15) .82697(14) .0525(3) Uani
C12 .6908(2) .0329(2) .94243(15) .0632(4) Uani
C13 .7982(2) .0886(2) .96148(14) .0581(4) Uani
C14 .8977(2) .09028(15) .86732(13) .0500(3) Uani
C15 .88901(13) .03379(13) .75330(12) .0416(3) Uani
C16 .78149(13) -.02393(12) .73071(12) .0392(3) Uani
C17 .77428(13) -.08486(11) .60719(12) .0398(3) Uani
C18 .02985(15) .54044(14) .79774(12) .0462(3) Uani
C19 .0695(2) .6154(2) .88850(14) .0574(4) Uani
C20 .1796(2) .5517(2) .9672(2) .0656(4) Uani
C21 .2551(2) .4126(2) .9574(2) .0670(4) Uani
C22 .2178(2) .3376(2) .86722(13) .0530(3) Uani
C23 .10486(13) .39938(13) .78621(11) .0412(3) Uani
C24 .06803(13) .31971(13) .68740(11) .0413(3) Uani
H1 .1665(16) .6229(16) .5081(15) .053(4) Uiso
H2 .1117(15) .8387(15) .5559(13) .047(4) Uiso
H3 .2597(16) .9043(18) .6967(15) .062(4) Uiso
H4 .4580(17) .7366(16) .7875(15) .060(4) Uiso
H5 .6153(18) .4876(17) .7969(16) .066(5) Uiso
H6 .6538(18) .2616(18) .7333(16) .066(5) Uiso
H7 .5029(16) .2073(17) .5955(14) .056(4) Uiso
H8 .3021(19) .289(2) .4698(17) .079(5) Uiso
H11 .588(3) -.107(3) .724(3) .118(8) Uiso
H12 .624(2) .0313(19) 1.0044(18) .076(5) Uiso
H13 .8052(18) .1272(18) 1.0428(17) .071(5) Uiso
H14 .9725(17) .1320(17) .8808(15) .062(4) Uiso
H15 .9530(15) .0372(15) .6834(14) .050(4) Uiso
H18 -.094(2) .545(3) .669(2) .109(8) Uiso
H19 .0122(19) .714(2) .8938(18) .079(5) Uiso
H20 .2037(19) .605(2) 1.0327(18) .081(5) Uiso
H21 .333(2) .3681(19) 1.0115(18) .078(5) Uiso
H22 .2690(17) .2423(18) .8581(15) .060(4) Uiso
H24 .135(2) .151(2) .5907(19) .087(6) Uiso
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
N1 C2 . 1.324(2) yes
N1 C9 . 1.367(2) yes
N1 H1 . .93(2) no
O8 C8 . 1.3428(15) yes
O8 H8 . .94(2) no
O11 C11 . 1.352(2) yes
O11 H11 . .98(3) no
O17 C17 . 1.260(2) yes
O17A C17 . 1.2665(15) yes
O18 C18 . 1.348(2) yes
O18 H18 . .93(2) no
O24 C24 . 1.299(2) yes
O24 H24 . 1.07(2) no
O24A C24 . 1.235(2) yes
C2 C3 . 1.389(2) no
C2 H2 . .985(15) no
C3 C4 . 1.362(2) no
C3 H3 . .93(2) no
C4 C10 . 1.409(2) no
C4 H4 . .96(2) no
C5 C6 . 1.362(2) no
C5 C10 . 1.410(2) no
C5 H5 . .96(2) no
C6 C7 . 1.402(2) no
C6 H6 . .94(2) no
C7 C8 . 1.370(2) no
C7 H7 . .96(2) no
C8 C9 . 1.414(2) no
C9 C10 . 1.410(2) no
C11 C12 . 1.394(2) no
C11 C16 . 1.401(2) no
C12 C13 . 1.371(2) no
C12 H12 . .92(2) no
C13 C14 . 1.381(2) no
C13 H13 . .98(2) no
C14 C15 . 1.379(2) no
C14 H14 . .97(2) no
C15 C16 . 1.393(2) no
C15 H15 . .963(15) no
C16 C17 . 1.488(2) no
C18 C19 . 1.392(2) no
C18 C23 . 1.403(2) no
C19 C20 . 1.363(2) no
C19 H19 . .99(2) no
C20 C21 . 1.384(2) no
C20 H20 . .98(2) no
C21 C22 . 1.377(2) no
C21 H21 . .95(2) no
C22 C23 . 1.394(2) no
C22 H22 . .95(2) no
C23 C24 . 1.474(2) no