Sodium compounds of the benzophenone dianion (diphenyloxidomethanide).
Geier, Jens; Rüegger, Heinz; Grützmacher, Hansjörg; Dalton transactions (Cambridge, England : 2003)  (2006) 129–136; doi:10.1039/b512173f

data_7006603
_publ_section_title
;
 Sodium compounds of the benzophenone dianion (diphenyloxidomethanide).
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              129
_journal_page_last               136
_journal_paper_doi               10.1039/b512173f
_journal_year                    2006
_chemical_formula_moiety         'C23 H32 Na2 O6'
_chemical_formula_sum            'C23 H32 Na2 O6'
_chemical_formula_weight         450.47
_chemical_name_common
'tetraglyme-complex of disodium oxidodiphenylmethanide'
_chemical_name_systematic
;
?
;
_chemical_temperature_decomposition 413.15
_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_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                61.90(3)
_cell_angle_beta                 88.15(3)
_cell_angle_gamma                70.07(3)
_cell_formula_units_Z            2
_cell_length_a                   10.746(2)
_cell_length_b                   11.256(2)
_cell_length_c                   11.771(2)
_cell_measurement_reflns_used    5000
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      44
_cell_measurement_theta_min      4
_cell_volume                     1166.5(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.945
_diffrn_measured_fraction_theta_max 0.945
_diffrn_measurement_device       'STOE IPDS 1'
_diffrn_measurement_method       '\f scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1282
_diffrn_reflns_av_sigmaI/netI    0.0910
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            12076
_diffrn_reflns_theta_full        23.25
_diffrn_reflns_theta_max         23.25
_diffrn_reflns_theta_min         1.99
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  1260
_diffrn_standards_number         200
_exptl_absorpt_coefficient_mu    0.122
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.282
_exptl_crystal_description       cuboid
_exptl_crystal_F_000             480
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.155
_refine_diff_density_min         -0.153
_refine_diff_density_rms         0.038
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.035
_refine_ls_goodness_of_fit_ref   1.149
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         3151
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_restrained_S_obs      1.149
_refine_ls_R_factor_all          0.1040
_refine_ls_R_factor_gt           0.0478
_refine_ls_shift/esd_mean        0.000
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0229P)^2^+0.0338P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0892
_refine_ls_wR_factor_ref         0.1106
_reflns_number_gt                1790
_reflns_number_total             3152
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b512173f.txt
_cod_data_source_block           '[Na2(Ph2CO)(tetraglyme)]'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' tag was changed to
'_chemical_temperature_decomposition' since the value had been given
as '140 degree Celsius dec.'. The value '140 degree Celsius dec.' was
changed to '413.15' - it was converted from degrees Celsius(C) to
Kelvins(K).

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        1166.6(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7006603