Metal-Stabilized Thiyl Radicals as Scaffolds for Reversible Alkene Addition via C-S Bond Formation/Cleavage
Kagna Ouch; Mark S. Mashuta; Craig A. Grapperhaus; Inorganic Chemistry 50 (2011) 9904–9914; doi:10.1021/ic200416y

data_4326446
_publ_section_title
;
 Metal-Stabilized Thiyl Radicals as Scaffolds for Reversible Alkene
 Addition via C-S Bond Formation/Cleavage
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9904
_journal_page_last               9914
_journal_paper_doi               10.1021/ic200416y
_journal_volume                  50
_journal_year                    2011
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C63 H52 P3 Ru S3, 2(C6 H5 Cl), F6 P'
_chemical_formula_sum            'C75 H62 Cl2 F6 P4 Ru S3'
_chemical_formula_weight         1469.28
_chemical_name_common
;
[(2-(diphenylphosphine)thiaphenolato)(p-methylphenylethane-
1,2-diylbis(thio-2,1-phenylene)diphenylphosphine)ruthenium(II)]
hexafluorophosphate
;
_chemical_name_systematic
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 ? 
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_space_group_IT_number           1
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_symmetry_space_group_name_Hall  'P 1'
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_audit_creation_date
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'Fri Jan 07 11:31:12 2011'
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CrysAlisPro, Oxford Diffraction Ltd.,
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CrysAlisPro, Oxford Diffraction Ltd.,
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  1 omega  -95.00  -68.00   1.0000   55.0000
omega____ theta____ kappa____ phi______ frames
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  2 omega  -93.00    1.00   1.0000   55.0000
omega____ theta____ kappa____ phi______ frames
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  3 omega  -20.00   85.00   1.0000   55.0000
omega____ theta____ kappa____ phi______ frames
    -       11.6866   77.0000  -60.0000 105

  4 omega  -49.00   37.00   1.0000   55.0000
omega____ theta____ kappa____ phi______ frames
    -       11.6866  -77.0000 -180.0000 86

  5 omega -103.00  -76.00   1.0000   55.0000
omega____ theta____ kappa____ phi______ frames
    -      -11.3741  179.0000  150.0000 27

  6 omega   34.00  104.00   1.0000   55.0000
omega____ theta____ kappa____ phi______ frames
    -       11.6866  179.0000  150.0000 70

  7 omega  -20.00   34.00   1.0000   55.0000
omega____ theta____ kappa____ phi______ frames
    -       11.6866   37.0000 -150.0000 54

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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.36 (release 02-08-2010 CrysAlis171 .NET)
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empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_colour            yellow
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
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'calc w=1/[\s^2^(Fo^2^)+(0.0030P)^2^+5.8610P] where P=(Fo^2^+2Fc^2^)/3'
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