Pt Nanoparticles @ Photoactive Metal-Organic Frameworks: Efficient Hydrogen Evolution via Synergistic Photoexcitation and Electron Injection
Cheng Wang; Kathryn E. deKrafft; Wenbin Lin; Journal of the American Chemical Society 134 (2012) 7211–7214; doi:10.1021/ja300539p

data_4117867
_publ_section_title
;
 Pt Nanoparticles @ Photoactive Metal-Organic Frameworks: Efficient
 Hydrogen Evolution via Synergistic Photoexcitation and Electron Injection
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7211
_journal_page_last               7214
_journal_paper_doi               10.1021/ja300539p
_journal_volume                  134
_journal_year                    2012
_chemical_formula_sum            'C276 Ir6 N24 O32 Zr6'
_chemical_formula_weight         5863.52
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           196
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'F 2 2 3'
_symmetry_space_group_name_H-M   'F 2 3'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   38.7410(2)
_cell_length_b                   38.7410(2)
_cell_length_c                   38.7410(2)
_cell_measurement_temperature    100(2)
_cell_volume                     58145.0(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.2497
_diffrn_reflns_av_sigmaI/netI    0.2114
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            1841
_diffrn_reflns_theta_full        21.26
_diffrn_reflns_theta_max         21.26
_diffrn_reflns_theta_min         1.98
_exptl_absorpt_coefficient_mu    3.680
_exptl_absorpt_correction_T_max  0.8374
_exptl_absorpt_correction_T_min  0.8374
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    0.670
_exptl_crystal_F_000             11128
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.356
_refine_diff_density_min         -0.271
_refine_diff_density_rms         0.091
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.6(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.168
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     22
_refine_ls_number_reflns         517
_refine_ls_number_restraints     131
_refine_ls_restrained_S_all      2.721
_refine_ls_R_factor_all          0.2796
_refine_ls_R_factor_gt           0.2135
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0300P)^2^+0.7181P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3675
_refine_ls_wR_factor_ref         0.3909
_reflns_number_gt                246
_reflns_number_total             517
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja300539p_si_001.cif
_cod_data_source_block           f23
_cod_database_code               4117867