Tetrasodium bis(μ-<small>L</small>-tartrato)-1κ^2^<i>O</i>^1^,<i>O</i>^2^:2κ^2^<i>O</i>^3^,<i>O</i>^4^-bis[oxovanadate(IV)] hexahydrate
Pizarro, J.L.; Garcia-Jaca, J.; Rojo, T.; Arriortua, M.I.; Acta Crystallographica Section C 50 (1994) 1394–1396; doi:10.1107/S0108270194001605

data_2010008
_publ_section_title
;Tetrasodium
 bis(\m-<small>L</small>-tartrato)-1\k^2^<i>O</i>^1^,<i>O</i>^2^:2\k^2^<i>O</i>^3^,<i>O</i>^4^-bis[oxovanadate(IV)]
 hexahydrate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1394
_journal_page_last               1396
_journal_paper_doi               10.1107/S0108270194001605
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C8 H16 Na4 O20 V2'
_chemical_formula_weight         626.044
_space_group_IT_number           92
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   8.2973(8)
_cell_length_b                   8.2973(8)
_cell_length_c                   29.4350(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      12
_cell_measurement_theta_min      8
_cell_volume                     2026.5(3)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3392
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        3.4
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.071
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    2.052
_exptl_crystal_density_meas      2.040(10)
_exptl_crystal_density_method    flotation
_exptl_crystal_description       bipyramidal
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.33
_refine_diff_density_min         -0.14
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.47
_refine_ls_hydrogen_treatment
;Only coordinates and two common isotropic displacement parameters
for H atoms refined
;
_refine_ls_number_parameters     180
_refine_ls_number_reflns         1617
_refine_ls_R_factor_obs          0.0255
_refine_ls_shift/esd_max         0.008
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^|F~o~|+0.0047|F~o~|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0269
_reflns_number_observed          1617
_reflns_number_total             1807
_reflns_observed_criterion       I>=2.5\s(I)
_cod_data_source_file            ab1114.cif
_cod_data_source_block           ab1114_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_cell_measurement_temperature' value 'Room temperature' was changed
to '295(2)' - the room/ambient temperature average [293;298] in
Kelvins(K) was taken.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_cell_measurement_temperature' value 'Room temperature' was changed
to '295(2)' - the room/ambient temperature average [293;298] in
Kelvins(K) was taken.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^|F~o~|+0.0047|F~o~|^2^]'
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~|+0.0047|F~o~|^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 

2023-05-16
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C4 H8 Na2 O10 V'
_cod_original_formula_weight         313.022
_cod_original_formula_units_Z            8
_cod_original_sg_symbol_Hall     'P 43n 2nw'
_cod_database_code               2010008