Information card for entry 4323023

Structure parameters

• Formula: C56 H112 Cl16 N9 S6 Ta6
• Calculated formula: C57 H111 Cl16 N9 S6 Ta6
• Title of publication: Substitution and Redox Chemistry of [Bu4N]2[Ta6Cl12(OSO2CF3)6]
• Authors of publication: Nicholas Prokopuk; Vance O. Kennedy; Charlotte L. Stern; Duward F. Shriver
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 5001 - 5006
• a: 25.855 ± 0.006 Å
• b: 21.843 ± 0.006 Å
• c: 16.423 ± 0.003 Å
• α: 90°
• β: 100.03 ± 0.02°
• γ: 90°
• Cell volume: 9133 ± 4 ų
• Cell temperature: 153.2 K
• Ambient diffraction temperature: 153.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0383
• Goodness-of-fit parameter for significantly intense reflections: 1.75
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No