Na~10~(glycine)~2~[H~2~W~12~O~42~]·28H~2~O
Haruo Naruke; Norio Fukuda; Toshihiro Yamase; Acta Crystallographica Section C 56 (2000) 177–178; doi:10.1107/S0108270199014419

data_2010609
_publ_section_title
;
 Na~10~(glycine)~2~[H~2~W~12~O~42~]&#x00B7;28H~2~O
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              177
_journal_page_last               178
_journal_paper_doi               10.1107/S0108270199014419
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          'Na10 (H2 W12 O42) , 2C2 H5 N O2 , 28H2 O'
_chemical_formula_moiety         '2C2 H5 N O2 , H2 Na10 O42 W12  , 28H2 O'
_chemical_formula_sum            'C4 H68 N2 Na10 O74 W12'
_chemical_formula_weight         3764.65
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                74.30(10)
_cell_angle_beta                 79.60(10)
_cell_angle_gamma                66.00(10)
_cell_formula_units_Z            1
_cell_length_a                   11.860(10)
_cell_length_b                   12.600(10)
_cell_length_c                   13.02(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      10.0
_cell_volume                     1706(4)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1988)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1989)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    'SHELXS86 (Sheldrick, 1985)'
_diffrn_measurement_device_type  'Rigaku AFC-5S'
_diffrn_measurement_method       \w--2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .7107
_diffrn_reflns_av_R_equivalents  .055
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8194
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        5.90
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    20.356
_exptl_absorpt_correction_T_max  .369
_exptl_absorpt_correction_T_min  .108
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.664
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_size_max          .120
_exptl_crystal_size_mid          .120
_exptl_crystal_size_min          .050
_refine_diff_density_max         3.86
_refine_diff_density_min         -4.63
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.980
_refine_ls_hydrogen_treatment    undef
_refine_ls_number_parameters     260
_refine_ls_number_reflns         7188
_refine_ls_R_factor_gt           .0514
_refine_ls_shift/su_max          .0010
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00036|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .0629
_reflns_number_gt                7188
_reflns_number_total             7818
_reflns_threshold_expression     F^2^>\s(F^2^)
_cod_data_source_file            br1268.cif
_cod_data_source_block           I
_cod_original_cell_volume        1706(8)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C4 H68 N2 Na10 O74 W12 '
_cod_database_code               2010609