Dinuclear Zinc(II) Complexes with Hydrogen Bond Donors as Structural and Functional Phosphatase Models.
Bosch, Simone; Comba, Peter; Gahan, Lawrence R.; Schenk, Gerhard; Inorganic chemistry 53 (2014) 9036–9051; doi:10.1021/ic5009945

data_4340735
_publ_section_title
;
 Dinuclear Zinc(II) Complexes with Hydrogen Bond Donors as Structural and
 Functional Phosphatase Models.
;
_journal_issue                   17
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9036
_journal_page_last               9051
_journal_paper_doi               10.1021/ic5009945
_journal_volume                  53
_journal_year                    2014
_chemical_compound_source        'synthesis as described'
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        CrysAlisPro, Agilent Technologies,
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        (compiled Jul 11 2012,15:38:31)
;
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        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
        (compiled Jul 11 2012,15:38:31)
;
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        CrysAlisPro, Agilent Technologies,
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        (compiled Jul 11 2012,15:38:31)
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_diffrn_radiation_monochromator  graphite
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;
        CrysAlisPro, Agilent Technologies,
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        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.53
_exptl_crystal_density_method    'not measured'
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_refine_ls_number_reflns         6308
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0362
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0477P)^2^+0.3861P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0792
_refine_ls_wR_factor_ref         0.0847
_reflns_number_gt                5477
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_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ic5009945_si_003.cif
_cod_data_source_block           851sb5
_cod_depositor_comments
'Adding full bibliography for 4340733--4340738.cif.'
_cod_original_cell_volume        2004.11(14)
_cod_database_code               4340735