Introducing Nonstructural Ligands to Zirconia-like Metal‒Organic Framework Nodes To Tune the Activity of Node-Supported Nickel Catalysts for Ethylene Hydrogenation
Liu, Jian; Li, Zhanyong; Zhang, Xuan; Otake, Ken-ichi; Zhang, Lin; Peters, Aaron W.; Young, Matthias J.; Bedford, Nicholas M.; Letourneau, Steven P.; Mandia, David J.; Elam, Jeffrey W.; Farha, Omar K.; Hupp, Joseph T.; ACS Catalysis 9 (2019) 3198–; doi:10.1021/acscatal.8b04828

data_4514733
_publ_section_title
;
 Introducing Nonstructural Ligands to Zirconia-like Metal--Organic
 Framework Nodes To Tune the Activity of Node-Supported Nickel Catalysts
 for Ethylene Hydrogenation
;
_journal_issue                   4
_journal_name_full               'ACS Catalysis'
_journal_page_first              3198
_journal_paper_doi               10.1021/acscatal.8b04828
_journal_volume                  9
_journal_year                    2019
_chemical_formula_moiety         'C88 O32 Zr6 H44 (C7H4OF)2 (C)0.56'
_chemical_formula_sum            'C102.56 H52 F2 O34 Zr6'
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_space_group_crystal_system      hexagonal
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_space_group_name_Hall           '-P 6 2'
_space_group_name_H-M_alt        'P 6/m m m'
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2018-07-13 deposited with the CCDC.
2018-07-13 downloaded from the CCDC.
;
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_diffrn_ambient_temperature      100(2)
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_source                   'MoK\a I\mS microfocus source with MX Optics'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1530P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                2490
_reflns_number_total             4364
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            cs8b04828_si_002.cif
_cod_data_source_block           NU-1000-FBa
_cod_original_cell_volume        22122(3)
_cod_database_code               4514733
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