Accelerated Reduction of 4-Nitrophenol: Bridging Interaction Outplays Reducing Power in the Model Nanoparticle-Catalyzed Reaction
Shirin, Shana; Roy, Soumendu; Rao, Anish; Pillai, Pramod P.; The Journal of Physical Chemistry C 124 (2020) 19157–19165; doi:10.1021/acs.jpcc.0c06237

data_1558869
_publ_section_title
;
 Accelerated Reduction of 4-Nitrophenol: Bridging Interaction Outplays
 Reducing Power in the Model Nanoparticle-Catalyzed Reaction
;
_journal_issue                   35
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              19157
_journal_page_last               19165
_journal_paper_doi               10.1021/acs.jpcc.0c06237
_journal_volume                  124
_journal_year                    2020
_chemical_formula_sum            'C12 H12 Ca N2 O10'
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_exptl_absorpt_process_details   'multi-scan absorption correction'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.577
_exptl_crystal_description       Needle-shaped
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/1 (Sheldrick 2018)'
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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^)+(0.0548P)^2^+0.9697P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1108
_refine_ls_wR_factor_ref         0.1113
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1396
_reflns_number_total             1431
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jp0c06237_si_002.cif
_cod_data_source_block           Ca-p-Nitrophenolate
_cod_depositor_comments
;Adding full bibliography for 1558868--1558869.cif.

 Adding full bibliography for 1558868--1558869.cif.
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1558869
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_shelx_res_checksum              29508
_shelx_hkl_checksum              72161