Reactions of an Osmium-Hexahydride Complex with Cytosine, Deoxycytidine, and Cytidine: The Importance of the Minor Tautomers
Miguel A. Esteruelas; Jorge García-Raboso; Montserrat Oliván; Inorganic Chemistry 51 (2012) 9522–9528; doi:10.1021/ic3013238

data_4330273
_publ_contact_author
;
  Dr. Montserrat Oliv\'an
  Departamento de Qu\'imica Inorg\'anica - ISQCH
  Universidad de Zaragoza - CSIC
  50009 Zaragoza, Spain
;
_publ_contact_author_email       molivan@unizar.es
_publ_section_title
;
 Reactions of an Osmium-Hexahydride Complex with Cytosine, Deoxycytidine,
 and Cytidine: The Importance of the Minor Tautomers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9522
_journal_page_last               9528
_journal_paper_doi               10.1021/ic3013238
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C40 H93 N3 O Os2 P4'
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CrysAlisPro, Oxford Diffraction Ltd.,
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CrysAlisPro, Oxford Diffraction Ltd.,
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CrysAlisPro, Oxford Diffraction Ltd.,
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  1 omega  -96.00   53.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
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  2 omega   63.00   93.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
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  3 omega   63.00   89.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       21.5865  179.0000  120.0000 26

  4 omega   37.00   86.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       21.5865  179.0000 -180.0000 49
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Oxford Diffraction Excalibur (TM) single-crystal x-ray diffractometer
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Rotation method data acquisition using \w and \q
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CrysAlisPro, Oxford Diffraction Ltd.,
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empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            colorless
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_refine_ls_number_reflns         10920
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.984
_refine_ls_R_factor_all          0.1429
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'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
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