Bis(8-hydroxyquinoline-2-carboxylato-κ^3^<i>N,O,O</i>')cobalt(II) trihydrate
Okabe, Nobuo; Muranishi, Yasunori; Acta Crystallographica Section E 58 (2002) m352–m353; doi:10.1107/S1600536802010814

data_2201326
_publ_section_title
;
 Bis(8-hydroxyquinoline-2-carboxylato-\k^3^<i>N,O,O</i>')cobalt(II)
 trihydrate
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m352
_journal_page_last               m353
_journal_paper_doi               10.1107/S1600536802010814
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '[Co (C10 H7 N O3)2], 3H2 O'
_chemical_formula_moiety         'C20 H12 Co N2 O6, 3 H2 O'
_chemical_formula_sum            'C20 H18 Co N2 O9'
_chemical_formula_weight         489.29
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.460(10)
_cell_angle_beta                 107.120(10)
_cell_angle_gamma                102.030(10)
_cell_formula_units_Z            2
_cell_length_a                   9.2550(10)
_cell_length_b                   15.852(3)
_cell_length_c                   7.1920(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      14.6
_cell_measurement_theta_min      12.8
_cell_volume                     965.4(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software (Molecular Structure Corporation &
Rigaku, 1999)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation & Rigaku, 1999)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku AFC-5R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.049
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            4707
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        0.20
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.949
_exptl_absorpt_correction_T_max  0.909
_exptl_absorpt_correction_T_min  0.892
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.683
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             502.0
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.43
_refine_diff_density_min         -0.43
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.853
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     313
_refine_ls_number_reflns         4438
_refine_ls_R_factor_gt           0.0432
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.1P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1617
_reflns_number_gt                2256
_reflns_number_total             4438
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cf6182.cif
_cod_data_source_block           I
_cod_database_code               2201326