Operando study of palladium nanoparticles inside UiO-67 MOF for catalytic hydrogenation of hydrocarbons.
Bugaev, A. L.; Guda, Alexander A.; Lomachenko, Kirill A.; Kamyshova, Elizaveta G.; Soldatov, Mikhail A.; Kaur, Gurpreet; Øien-Ødegaard, Sigurd; Braglia, Luca; Lazzarini, Andrea; Manzoli, Maela; Bordiga, Silvia; Olsbye, Unni; Lillerud, Karl P.; Soldatov, Alexander V.; Lamberti, Carlo; Faraday discussions 208 (2018) 287–306; doi:10.1039/c7fd00224f

data_1548750
_publ_section_title
;
 Operando study of palladium nanoparticles inside UiO-67 MOF for catalytic
 hydrogenation of hydrocarbons.
;
_journal_issue                   0
_journal_name_full               'Faraday discussions'
_journal_page_first              287
_journal_page_last               306
_journal_paper_doi               10.1039/c7fd00224f
_journal_volume                  208
_journal_year                    2018
_chemical_formula_sum            'C79.511 N0 O30.762 Pd0.546 Zr6'
_chemical_formula_weight         2140.5
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   26.79861(20)
_cell_length_b                   26.79861(20)
_cell_length_c                   26.79861(20)
_cell_measurement_temperature    293
_cell_volume                     19245.8(2)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.51353
_exptl_absorpt_coefficient_mu    0.939
_exptl_crystal_density_diffrn    0.7387
_exptl_crystal_F_000             3951
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.006
_pd_meas_2theta_range_max        34.997
_pd_meas_2theta_range_min        0.103
_pd_meas_number_of_points        6000
_pd_proc_2theta_range_inc        0.006
_pd_proc_2theta_range_max        30.995
_pd_proc_2theta_range_min        4.204
_pd_proc_ls_background_function  '10 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0208
_pd_proc_ls_prof_wR_expected     0.0021
_pd_proc_ls_prof_wR_factor       0.0316
_refine_ls_goodness_of_fit_all   15.28
_refine_ls_number_constraints    7
_refine_ls_number_parameters     45
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0381
_refine_ls_R_factor_gt           0.0378
_refine_ls_shift/su_max          0.0412
_refine_ls_shift/su_mean         0.0078
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0583
_refine_ls_wR_factor_gt          0.0583
_cod_data_source_file            c7fd00224f1.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 1548750.cif.
;
_cod_original_sg_symbol_Hall     '-F 4;2;3'
_cod_original_formula_sum        'C79.511 N0 O30.762 Zr6 Pd0.546'
_cod_database_code               1548750