Disodium μ-(Ethylenediaminetetraacetato-<i>N</i>,<i>O</i>,<i>O</i>':<i>N</i>',<i>O</i>'',<i>O</i>''')-di-μ-oxo-bis[oxomolybdate(V)](<i>Mo</i>—<i>Mo</i>) Tetrahydrate
Mukherjee, K.; Roychowdhury, P.; Roy, K.; Mukherjee, D.; Kusunoki, M.; Acta Crystallographica Section C 51 (1995) 32–34; doi:10.1107/S0108270193012168

data_2010355
_publ_section_title
;Disodium
 \m-(Ethylenediaminetetraacetato-<i>N</i>,<i>O</i>,<i>O</i>':<i>N</i>',<i>O</i>'',<i>O</i>''')-di-\m-oxo-bis[oxomolybdate(V)](<i>Mo</i>---<i>Mo</i>)
 Tetrahydrate
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              32
_journal_page_last               34
_journal_paper_doi               10.1107/S0108270193012168
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C10 H20 Mo2 N2 Na2 O16'
_chemical_formula_weight         662.13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2ya'
_symmetry_space_group_name_H-M   'P 1 a 1'
_atom_type_scat_source
' Cromer & Mann (1968) and Cromer & Liberman (1970)'
_cell_angle_alpha                90.
_cell_angle_beta                 99.56(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   7.540(3)
_cell_length_b                   16.761(6)
_cell_length_c                   8.650(3)
_cell_measurement_reflns_used    22
_cell_measurement_temperature    293
_cell_measurement_theta_max      17.2
_cell_measurement_theta_min      12.8
_cell_volume                     1078.0(7)
_diffrn_measurement_device       'Rigaku AFC-4 four-circle'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0101
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            8573
_diffrn_reflns_theta_max         33
_diffrn_standards_decay_%        <2
_diffrn_standards_interval_time  '? counts/'
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.25
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.0399
_exptl_crystal_density_meas      2.01
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.23
_refine_diff_density_min         -1.652
_refine_ls_goodness_of_fit_obs   1.1
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     287
_refine_ls_number_reflns         6864
_refine_ls_R_factor_obs          0.043
_refine_ls_shift/esd_max         0.151
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)+0.008381F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.051
_reflns_number_observed          6864
_reflns_number_total             8223
_reflns_observed_criterion       I>=2.5\s(I)
_cod_data_source_file            al1041.cif
_cod_data_source_block           al1041_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^(F)+0.008381F^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)+0.008381F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P a'
_cod_database_code               2010355