Stabilization of Cobalt-Polyoxometalate over Poly(ionic liquid) Composites for Efficient Electrocatalytic Water Oxidation.
Adhikary, Subhasis D.; Tiwari, Aarti; Nagaiah, Tharamani C.; Mandal, Debaprasad; ACS applied materials & interfaces 10 (2018) 38872–38879; doi:10.1021/acsami.8b12592

data_4515422
_publ_section_title
;
 Stabilization of Cobalt-Polyoxometalate over Poly(ionic liquid)
 Composites for Efficient Electrocatalytic Water Oxidation.
;
_journal_issue                   45
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              38872
_journal_page_last               38879
_journal_paper_doi               10.1021/acsami.8b12592
_journal_volume                  10
_journal_year                    2018
_chemical_formula_moiety         'Co4 K6 Na4 O94 P2 W18'
_chemical_formula_sum            'Co4 K6 Na4 O94 P2 W18'
_chemical_formula_weight         5437.52
_chemical_name_common            Co-POM
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 100.389(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.8710(9)
_cell_length_b                   16.6766(14)
_cell_length_c                   21.2198(18)
_cell_measurement_reflns_used    371
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.44
_cell_measurement_theta_min      2.26
_cell_volume                     4132.0(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'DIAMOND 3'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    SIR-97
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker AXS CMOS-type PHOTON 100 detector'
_diffrn_measurement_method       omega-scans
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0838
_diffrn_reflns_av_unetI/netI     0.0347
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            112608
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.468
_diffrn_reflns_theta_min         2.207
_diffrn_source                   'fine-focus microfocus tube'
_exptl_absorpt_coefficient_mu    26.209
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.2369
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    4.370
_exptl_crystal_description       'cylindrical rhombic'
_exptl_crystal_F_000             4760
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.160
_refine_diff_density_max         3.707
_refine_diff_density_min         -2.983
_refine_diff_density_rms         0.478
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     586
_refine_ls_number_reflns         10350
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0466
_refine_ls_R_factor_gt           0.0405
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0466P)^2^+144.5456P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1017
_refine_ls_wR_factor_ref         0.1050
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9413
_reflns_number_total             10350
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            am8b12592_si_003.cif
_cod_data_source_block           shelx
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4515422
_shelx_estimated_absorpt_t_min   0.062
_shelx_estimated_absorpt_t_max   0.102