Electrocatalytic Proton Reduction by Dimeric Nickel Complex of a Sterically Demanding Pincer-type NS2 Aminobis(thiophenolate) Ligand.
Mondragón, Alexander; Flores-Alamo, Marcos; Martínez-Alanis, Paulina R; Aullón, Gabriel; Ugalde-Saldívar, Víctor M; Castillo, Ivan; Inorganic chemistry 54 (2015) 619–627; doi:10.1021/ic502547y

data_4342006
_publ_section_title
;
 Electrocatalytic Proton Reduction by Dimeric Nickel Complex of a
 Sterically Demanding Pincer-type NS2 Aminobis(thiophenolate) Ligand.
;
_journal_issue                   2
_journal_name_full               'Inorganic chemistry'
_journal_page_first              619
_journal_page_last               627
_journal_paper_doi               10.1021/ic502547y
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C47 H41 F12 N3 Ni1 S2'
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_chemical_formula_weight         998.66
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;
 ?
;
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        CrysAlisPro, Agilent Technologies,
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        CrysAlisPro, Agilent Technologies,
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_diffrn_orient_matrix_UB_33      -0.0238421
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_av_R_equivalents  0.0599
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Analytical numeric absorption correction using a multifaceted crystal
                        model based on expressions derived by R.C. Clark & J.S.
        (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            brown
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_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.1167
_refine_ls_R_factor_gt           0.0703
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0759P)^2^+1.0315P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1546
_refine_ls_wR_factor_ref         0.1901
_reflns_number_gt                5233
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic502547y_si_003.cif
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_cod_depositor_comments
'Adding full bibliography for 4342003--4342007.cif.'
_cod_database_code               4342006