Two new Cu-based borate catalysts with cubic supramolecular cages for efficient catalytic hydrogen evolution.
Liu, Wen-Fang; Qiu, Qi-Ming; Zhang, Mo; Su, Zhao-Min; An, Qingqing; Lv, Hongjin; Jia, Zhiyu; Yang, Guo-Yu; Dalton transactions (Cambridge, England : 2003) 49 (2020) 10156–10161; doi:10.1039/d0dt01994a

data_7704730
_publ_section_title
;
 Two new Cu-based borate catalysts with cubic supramolecular cages for
 efficient catalytic hydrogen evolution.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10156
_journal_page_last               10161
_journal_paper_doi               10.1039/d0dt01994a
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'B20 Cu4 H8 O54 Rb4'
_chemical_formula_weight         1684.30
_space_group_crystal_system      tetragonal
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_space_group_name_Hall           'I -4'
_space_group_name_H-M_alt        'I -4'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-05-06 deposited with the CCDC.	2020-06-26 downloaded from the CCDC.
;
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_cell_measurement_theta_min      4.1970
_cell_volume                     3494.6(4)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_molecular_graphics    ORTEP-3
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_diffrn_measurement_device_type  'hybrid pixel array detector'
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'Six molecules of disordered water were removed from the Formula unit by the SQUEEZE process'
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;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.46(3)
_refine_ls_extinction_method     none
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'w=1/[\s^2^(Fo^2^)+(0.1634P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt01994a2.cif
_cod_data_source_block           J
_cod_depositor_comments
'Adding full bibliography for 7704730--7704731.cif.'
_cod_original_formula_sum        'B20 H8 Cu4 O54 Rb4'
_cod_database_code               7704730
_shelx_shelxl_version_number     2018/3
_platon_squeeze_void_probe_radius 1.20
_shelx_res_checksum              64028
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