Diplatinum(ii)-coordinated polyoxotungstate: synthesis, molecular structure, and photocatalytic performance for hydrogen evolution from water under visible-light irradiation.
Kato, Chika Nozaki; Morii, Yusuke; Hattori, Shota; Nakayama, Ryuta; Makino, Yuki; Uno, Hidemitsu; Dalton transactions (Cambridge, England : 2003) 41 (2012) 10021–10027; doi:10.1039/c2dt30915g

data_7019903
_publ_section_title
;
 Diplatinum(ii)-coordinated polyoxotungstate: synthesis, molecular
 structure, and photocatalytic performance for hydrogen evolution from
 water under visible-light irradiation.
;
_journal_issue                   33
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10021
_journal_page_last               10027
_journal_paper_doi               10.1039/c2dt30915g
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'H16 Cs3 N4 O41 P Pt2 W11'
_chemical_formula_sum            'Cs3 H16 N4 O41 P Pt2 W11'
_chemical_formula_weight         3570.35
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 98.370(2)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   13.051(2)
_cell_length_b                   14.574(2)
_cell_length_c                   24.834(4)
_cell_measurement_reflns_used    15732
_cell_measurement_temperature    120
_cell_measurement_theta_max      31.17
_cell_measurement_theta_min      1.58
_cell_volume                     4673.2(12)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120
_diffrn_detector_area_resol_mean 7.111
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.1121
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            75707
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    35.358
_exptl_absorpt_correction_T_max  0.243
_exptl_absorpt_correction_T_min  0.143
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    5.074
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             6088.00
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.040
_refine_diff_density_max         9.230
_refine_diff_density_min         -5.120
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     582
_refine_ls_number_reflns         10723
_refine_ls_number_restraints     234
_refine_ls_R_factor_gt           0.0587
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0814P)^2^+299.5022P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1567
_reflns_number_gt                10290
_reflns_number_total             10724
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c2dt30915g.txt
_cod_data_source_block           YMo-01
_cod_original_cell_volume        4673.0(13)
_cod_original_formula_sum        'H16 Cs3 N4 O41 P Pt2 W11'
_cod_database_code               7019903