The pseudo-single-crystal method: a third approach to crystal structure determination
Kimura, Tsunehisa; Chang, Chengkang; Kimura, Fumiko; Maeyama, Masataka; Journal of Applied Crystallography 42 (2009) 535–537; doi:10.1107/S0021889809013430

data_2300246
_publ_section_title
;
 The pseudo-single-crystal method: a third approach to crystal
 structure determination
;
_journal_issue                   3
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              535
_journal_page_last               537
_journal_paper_doi               10.1107/S0021889809013430
_journal_volume                  42
_journal_year                    2009
_chemical_formula_moiety         'Co Li O4 P '
_chemical_formula_sum            'Co Li O4 P'
_chemical_formula_weight         160.85
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   10.202(6)
_cell_length_b                   5.918(3)
_cell_length_c                   4.709(2)
_cell_measurement_reflns_used    1278
_cell_measurement_temperature    243.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      4.0
_cell_volume                     284.3(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.133
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            4825
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    6.407
_exptl_absorpt_correction_T_max  0.146
_exptl_absorpt_correction_T_min  0.030
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    3.758
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             308.00
_exptl_crystal_size_max          3.00
_exptl_crystal_size_mid          3.00
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.44
_refine_diff_density_min         -1.13
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_number_parameters     41
_refine_ls_number_reflns         345
_refine_ls_R_factor_gt           0.0659
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0479P)^2^+4.9483P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1680
_reflns_number_gt                278
_reflns_number_total             345
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            db5060.cif
_cod_data_source_block           toritsu_3T_2nd
_cod_original_formula_sum        'Co Li O4 P '
_cod_database_code               2300246