Lithium and Caesium Hydrogen Glutarate
Macdonald, A. L.; Murray, A.; Freer, A. A.; Henderson, K.; Acta Crystallographica Section C 51 (1995) 404–406; doi:10.1107/S0108270194005524

data_2003277
_publ_section_title
;
 Lithium and Caesium Hydrogen Glutarate
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              404
_journal_page_last               406
_journal_paper_doi               10.1107/S0108270194005524
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source
; Dissolving glutaric acid/lithium carbonate (1mol:0.5mol) in water
  yields crystals on standing
;
_chemical_formula_moiety         'C5 H7 O4,Li'
_chemical_formula_sum            'C5 H7 Li O4'
_chemical_formula_weight         138
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   7.950(1)
_cell_length_b                   8.880(1)
_cell_length_c                   17.525(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      25
_cell_measurement_theta_min      20
_cell_volume                     1237.2(3)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1270
_diffrn_reflns_theta_max         75
_diffrn_standards_decay_%        <3
_diffrn_standards_interval_count 200
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.037
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.487
_exptl_crystal_description       'Thin, irregular plates'
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.22
_refine_diff_density_min         -0.16
_refine_ls_extinction_coef       1.79E3
_refine_ls_extinction_method     'Larson (1970)'
_refine_ls_goodness_of_fit_obs   2.74
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     120
_refine_ls_number_reflns         1030
_refine_ls_R_factor_obs          0.037
_refine_ls_shift/esd_max         0.27
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/[\s^2^(F~o~)]
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.051
_reflns_number_observed          1030
_reflns_number_total             1270
_reflns_observed_criterion       I>3\s~I~
_cod_data_source_file            mu1051.cif
_cod_data_source_block           mu1051_structure_1_of_2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w=1/[\s^2^(F~o~)]' was changed
to 'calc'. New tag '_refine_ls_weighting_details' was created. The
value of the new tag was set to 'w=1/[\s^2^(F~o~)]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1237.20(10)
_cod_original_formula_sum        'C5 H7 Li1 O4'
_cod_database_code               2003277