Information card for entry 4319809

Structure parameters

• Formula: C28 H29 Mo P S4
• Calculated formula: C28 H29 Mo P S4
• SMILES: [Mo](SC(C)(C)C)(=S)(=S)[S-].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Syntheses, Structures, and Stabilities of [PPh4][WS3(SR)] (R = iBu, iPr, tBu, Benzyl, Allyl) and [PPh4][MoS3(StBu)]
• Authors of publication: Naomi L. Kruhlak; Meiping Wang; P. Michael Boorman; Masood Parvez; Robert McDonald
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3141 - 3148
• a: 10.558 ± 0.003 Å
• b: 17.477 ± 0.003 Å
• c: 15.954 ± 0.003 Å
• α: 90°
• β: 101.18 ± 0.02°
• γ: 90°
• Cell volume: 2888 ± 1.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.048
• Goodness-of-fit parameter for all reflections: 2.96
• Goodness-of-fit parameter for significantly intense reflections: 2.96
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No