Information card for entry 7027979

Structure parameters

• Formula: C30 H75 Mo6 N O P5 S8
• Calculated formula: C30 Mo6 N O P5 S8
• Title of publication: Reaction of [Mo6S8(PEt3)6] and NOBF4: structure and molecular orbital calculation of an octahedral cluster complex [Mo6S8(NO)(PEt3)5] ‡
• Authors of publication: Mizutani, Jun; Amari, Shingo; Imoto, Hideo; Saito, Taro
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 5
• Pages of publication: 819
• a: 15.016 ± 0.004 Å
• b: 16.055 ± 0.003 Å
• c: 23.215 ± 0.003 Å
• α: 90°
• β: 107.91 ± 0.01°
• γ: 90°
• Cell volume: 5325.5 ± 1.9 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.0325
• Goodness-of-fit parameter for significantly intense reflections: 2.547
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No