Polyoxometalate Embedding of a Tetraruthenium(IV)-oxo-core by Template-Directed Metalation of [γ-SiW10O36]8-: A Totally Inorganic Oxygen-Evolving Catalyst
Andrea Sartorel; Mauro Carraro; Gianfranco Scorrano; Rita De Zorzi; Silvano Geremia; Neal D. McDaniel; Stefan Bernhard; Marcella Bonchio; Journal of the American Chemical Society 130 (2008) 5006–5007; doi:10.1021/ja077837f

data_4107679
_publ_contact_author             'Geremia, Silvano'
_publ_contact_author_email       sgeremia@units.it
_publ_section_title
;
 Polyoxometalate Embedding of a Tetraruthenium(IV)-oxo-core by
 Template-Directed Metalation of [\g-SiW10O36]8-: A Totally Inorganic
 Oxygen-Evolving Catalyst
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5006
_journal_page_last               5007
_journal_paper_doi               10.1021/ja077837f
_journal_volume                  130
_journal_year                    2008
_chemical_formula_sum            'Cs5 H15 O46 Ru2 Si W10'
_chemical_formula_weight         3484.4
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2007-07-26T11:57:14-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 93.44
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   36.988
_cell_length_b                   12.456
_cell_length_c                   22.121
_cell_measurement_temperature    293(2)
_cell_volume                     10173.280
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_av_unetI/netI     0.0637
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            8606
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         1.73
_exptl_absorpt_coefficient_mu    25.679
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    4.55
_exptl_crystal_F_000             12000
_refine_diff_density_max         3.8
_refine_diff_density_min         -4.555
_refine_diff_density_rms         0.541
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1
_refine_ls_matrix_type           full
_refine_ls_number_parameters     608
_refine_ls_number_reflns         8606
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1
_refine_ls_R_factor_all          0.0953
_refine_ls_R_factor_gt           0.0717
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1801P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2128
_refine_ls_wR_factor_ref         0.2368
_reflns_number_gt                6210
_reflns_number_total             8606
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja077837f-file001.cif
_cod_data_source_block           ru4si2w20o82cs
_cod_original_cell_volume        10173.1
_cod_original_formula_sum        'H15 Cs5 O46 Ru2 Si W10'
_cod_database_code               4107679