Synthesis of [Sb2W20Fe(H2O)6O70](10-) with iron powder under mild conditions and its applications in both catalytic Fenton reaction and electrochemical sensing of ascorbic acid.
Sun, Minghui; Li, Fengyan; Yu, Longjiao; Wang, Ya; Xu, Lin; Dalton transactions (Cambridge, England : 2003) 45 (2016) 2417–2421; doi:10.1039/c5dt04637h

data_7037888
_publ_section_title
;
 Synthesis of [Sb2W20Fe(H2O)6O70](10-) with iron powder under mild
 conditions and its applications in both catalytic Fenton reaction and
 electrochemical sensing of ascorbic acid.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2417
_journal_page_last               2421
_journal_paper_doi               10.1039/c5dt04637h
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C12 H60 Fe2 N8 Na2 O88 Sb2 W20'
_chemical_formula_weight         5802.59
_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
_audit_update_record
;
2015-12-30 deposited with the CCDC.
2016-01-05 downloaded from the CCDC.
;
_cell_angle_alpha                68.517(5)
_cell_angle_beta                 79.923(5)
_cell_angle_gamma                62.222(5)
_cell_formula_units_Z            1
_cell_length_a                   13.017(5)
_cell_length_b                   13.539(5)
_cell_length_c                   17.702(5)
_cell_measurement_reflns_used    4052
_cell_measurement_temperature    191(2)
_cell_measurement_theta_max      56.393
_cell_measurement_theta_min      4.977
_cell_volume                     2568.4(16)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  SHELXS97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      191(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker APEX area-detector diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0306
_diffrn_reflns_av_unetI/netI     0.0659
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            12735
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.77
_exptl_absorpt_coefficient_mu    23.187
_exptl_absorpt_correction_T_max  0.098
_exptl_absorpt_correction_T_min  0.028
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS v.2.10 (Bruker,2003) was used for absorption correction. R(int) was
0.0956 before and 0.0271 after correction. The Ratio of minimum to maximum
apparent transmission is 0.3502. The Lambda/2 correction factor = 0.0015.
;
_exptl_crystal_colour            'light brown'
_exptl_crystal_density_diffrn    3.705
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2492
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_refine_diff_density_max         4.305
_refine_diff_density_min         -3.074
_refine_diff_density_rms         0.591
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     586
_refine_ls_number_reflns         8884
_refine_ls_number_restraints     155
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0794
_refine_ls_R_factor_gt           0.0607
_refine_ls_shift/su_max          0.100
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1006P)^2^+63.8369P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1604
_refine_ls_wR_factor_ref         0.1816
_reflns_number_gt                6990
_reflns_number_total             8884
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            c5dt04637h2.cif
_cod_data_source_block           1
_cod_depositor_comments          'Adding full bibliography for 7037888.cif.'
_cod_original_cell_volume        2568.4(15)
_cod_database_code               7037888