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_4342005
_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         'C72 H58 F24 N2 S4 Zn2'
_chemical_formula_sum            'C72 H58 F24 N2 S4 Zn2'
_chemical_formula_weight         1666.18
_chemical_name_systematic
;
 ?
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        CrysAlisPro, Agilent Technologies,
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        Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
        (compiled Aug  2 2013,16:46:58)
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_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0345
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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            colourless
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_refine_diff_density_max         2.627
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_refine_diff_density_rms         0.097
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_refine_ls_number_reflns         18152
_refine_ls_number_restraints     85
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0663
_refine_ls_R_factor_gt           0.0505
_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^)+(0.0551P)^2^+9.5786P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1221
_refine_ls_wR_factor_ref         0.135
_reflns_number_gt                14764
_reflns_number_total             18152
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic502547y_si_003.cif
_cod_data_source_block           2-amd-188zn-e
_cod_depositor_comments
'Adding full bibliography for 4342003--4342007.cif.'
_cod_database_code               4342005
_shelx_estimated_absorpt_t_min   0.746
_shelx_estimated_absorpt_t_max   0.849