Synthesis, Crystal Structure, and Relativistic DV-Xα Calculation of a μ-Oxido-μ-molybdato(VI)-bridged Dinuclear Oxidomolybdenum(V) Complex with 2-(3-Aminopropyl)aminoethanethiol

A μ-O-μ-MoVIO4-bridged dinuclear oxidomolybdenum(V) complex with 2-(3-aminopropyl)aminoethanethiol (Hapaet), [Mo3O7(apaet)2]·2CH3OH, was prepared. The crystal structure was determined by the single-crystal X-ray diffraction method at 293 K. It crystallizes in the monoclinic space group P21/n with a...

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Published inX-ray Structure Analysis Online Vol. 34; pp. 19 - 21
Main Authors MIKURIYA, Masahiro, KUSUNOKI, Koji, KOTERA, Takanori, YOSHIOKA, Daisuke, TAKEMURA, Shota, OGASAWARA, Kazuyoshi
Format Journal Article
LanguageEnglish
Published Tokyo The Japan Society for Analytical Chemistry 10.04.2018
Japan Science and Technology Agency
Subjects
Crystal structure
Mathematical analysis
Relativism
Relativistic effects
Single crystals
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Summary:A μ-O-μ-MoVIO4-bridged dinuclear oxidomolybdenum(V) complex with 2-(3-aminopropyl)aminoethanethiol (Hapaet), [Mo3O7(apaet)2]·2CH3OH, was prepared. The crystal structure was determined by the single-crystal X-ray diffraction method at 293 K. It crystallizes in the monoclinic space group P21/n with a = 16.558(3)Å, b = 8.9725(13)Å, c = 17.193(3)Å, β = 90.192(2)°, V = 2554.3(7)Å3, Dx = 1.899 g/cm3, and Z = 4. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0331 and 0.0768, respectively, for all 6166 independent reflections. The two molybdenum atoms are bridged by an oxido-O atom and MoO42− in a distorted octahedral geometry with oxido-O and meridional NNS-donor atoms of apaet−. A relativistic DV-Xα calculation supported the MoV2MoVI mixed-valent state.
ISSN:1883-3578
1883-3578
DOI:10.2116/xraystruct.34.19