Information card for entry 2000015

Structure parameters

• Common name: molybdenum sulfide cluster with bipyridyl
• Chemical name: octakis(mu!3$-sulfido)-hexakis(4,4'-bipyridyl) -hexa-molybdenum pentakis(aniline) solvate
• Formula: C90 H83 Mo6 N17 S8
• Calculated formula: C90 H83 Mo6 N17 S8
• Title of publication: Synthesis, characterization and properties of Mo6S8(4-tert-butylpyridine)6 and related M6S8L6 cluster complexes (M = Mo, W)
• Authors of publication: Jin, Song; Popp, Friedrich; Boettcher, Shannon W.; Yuan, Min; Oertel, Catherine M.; DiSalvo, Francis J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 16
• Pages of publication: 3096
• a: 9.3457 ± 0.0009 Å
• b: 15.7644 ± 0.0016 Å
• c: 15.7752 ± 0.0016 Å
• α: 99.506 ± 0.003°
• β: 98.305 ± 0.003°
• γ: 96.087 ± 0.003°
• Cell volume: 2248 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No