Information card for entry 4301516

Structure parameters

• Formula: C64 H94 B4 O12 Ta2
• Calculated formula: C64 H92 B4 O12 Ta2
• Title of publication: Structural Study of Acidic Metallocavitands and Characterization of their Interactions with Lewis Bases
• Authors of publication: Christian N. Garon; Serge I. Gorelsky; Olivier Sigouin; Tom K. Woo; Frédéric-Georges Fontaine
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1699 - 1710
• a: 13.6909 ± 0.0019 Å
• b: 16.068 ± 0.002 Å
• c: 16.587 ± 0.002 Å
• α: 97.783 ± 0.002°
• β: 110.332 ± 0.002°
• γ: 107.834 ± 0.002°
• Cell volume: 3135.3 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0608
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No