Un Monophosphate Synthétique de Sodium et de Cobalt: Na~4~Co~7~(PO~4~)~6~
Kobashi, Dilshat; Kohara, Shizuo; Yamakawa, Junji; Kawahara, Akira; Acta Crystallographica Section C 54 (1998) 7–9; doi:10.1107/S010827019701189X

data_2006911
_publ_section_title
;
 Un Monophosphate Synth\'etique de Sodium et de Cobalt:
 Na~4~Co~7~(PO~4~)~6~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              7
_journal_page_last               9
_journal_paper_doi               10.1107/S010827019701189X
_journal_volume                  54
_journal_year                    1998
_chemical_formula_iupac          'Na4 Co7 (PO4)6'
_chemical_formula_sum            'Co7 Na4 O24 P6'
_chemical_formula_weight         1074.29
_chemical_name_systematic
; Structure of Synthetic Heptacobalt Tetrasodium Monophosphate
  Na~4~Co~7~(PO~4~)~6~
;
_space_group_IT_number           8
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_atom_type_scat_source
'International Tables for X-ray Crystallograpy (Vol. IV)'
_audit_creation_method           'manual editing of form.cif'
_cell_angle_alpha                90.00
_cell_angle_beta                 105.790(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.5060(10)
_cell_length_b                   14.3900(10)
_cell_length_c                   6.4710(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      29.64
_cell_measurement_theta_min      25.38
_cell_volume                     941.38(19)
_computing_cell_refinement       'Rigaku AFC/MSC Software'
_computing_data_collection
'Rigaku AFC/MSC Software (Rigaku corporation, 1991)'
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1985)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1971)'
_computing_publication_material
'LISTHKL (Yamakawa & Kawahara, 1994) et CCPC (Kawamura & Kawahara, 1980)'
_computing_structure_refinement  'RSFLS-4, UNICS (Sakurai, 1971)'
_computing_structure_solution
;RSSFR-5, UNICS (Sakurai, 1971) et Texsan (Molecular Structure Corporation,
 1985)
;
_diffrn_measurement_device_type  'Rigaku AFC5R'
_diffrn_measurement_method       \w--2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  'not measured'
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            1216
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.751
_exptl_absorpt_correction_T_max  0.87
_exptl_absorpt_correction_T_min  0.81
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(ABSC; Takano, Tanaka & Kusonoki, 1973)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    3.79
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       sphere
_exptl_crystal_F_000             1030
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.046
_refine_diff_density_min         -0.428
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.284
_refine_ls_hydrogen_treatment    none
_refine_ls_number_parameters     135
_refine_ls_number_reflns         965
_refine_ls_R_factor_gt           0.038
_refine_ls_shift/su_max          0.011
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)+0.0001F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.033
_reflns_number_gt                965
_reflns_number_total             1192
_reflns_threshold_expression     'I > 3\s(I)'
_cod_data_source_file            du1180.cif
_cod_data_source_block           default
_cod_original_cell_volume        941.43(2)
_cod_original_sg_symbol_H-M      'C m'
_cod_original_formula_sum        'Na4 Co7 P6 O24'
_cod_database_code               2006911