8-Hydroxyquinolinium–Salicylate–Salicylic Acid (1/1/1) Complex, C~9~H~8~NO^+^.C~7~H~5~O~3~^{-^}.C~7~H~6~O~3~
Jebamony, Justin Robert; Thomas Muthiah, Packianathan; Acta Crystallographica Section C 54 (1998) 539–540; doi:10.1107/S0108270197013930

data_2007202
_publ_section_title
;
 8-Hydroxyquinolinium--Salicylate--Salicylic Acid (1/1/1) Complex,
 C~9~H~8~NO^+^.C~7~H~5~O~3~^{-^}.C~7~H~6~O~3~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              539
_journal_page_last               540
_journal_paper_doi               10.1107/S0108270197013930
_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
_chemical_name_systematic
' 8-hydroxyquinoline salicylate-salicylic acid complex'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           'SHELXL93 (Sheldrick, 1993)'
_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_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      2
_cell_volume                     1004.95(19)
_diffrn_measurement_device_type  'Enraf-Nonius CAD-4'
_diffrn_measurement_method       '\w--2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0069
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            3737
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        negligible
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.104
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'greenish yellow'
_exptl_crystal_density_diffrn    1.393
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'thick plate'
_exptl_crystal_F_000             440
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.162
_refine_diff_density_min         -0.131
_refine_ls_extinction_coef       0.042(3)
_refine_ls_extinction_method     SHELXL93_(Sheldrick,_1993)
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    H_atoms:_see_below
_refine_ls_number_parameters     357
_refine_ls_number_reflns         3512
_refine_ls_R_factor_gt           0.0313
_refine_ls_shift/su_max          0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
; w = 1/[\s^2^(Fo^2^)+(0.0494P)^2^+0.1721P]
  where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0090
_reflns_number_gt                3103
_reflns_number_total             3512
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            vj1075.cif
_cod_data_source_block           I
_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_original_cell_volume        1005.0(2)
_cod_database_code               2007202