Information card for entry 4320247

Structure parameters

• Formula: C58 H136 K4 N10 O24 Se10 Sn4
• Calculated formula: C58 H136 K4 N10 O24 Se10 Sn4
• Title of publication: Syntheses, Vibrational Spectra, and Theoretical Studies of the Adamantanoid Sn4Ch104- (Ch = Se, Te) Anions: X-ray Crystal Structures of [18-Crown-6-K]4[Sn4Se10].5en and [18-Crown-6-K]4[Sn4Te10].3en.2THF
• Authors of publication: Ayaaz M. Pirani; Hélène P. A. Mercier; David A. Dixon; Horst Borrmann; Gary J. Schrobilgen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4823 - 4829
• a: 22.003 ± 0.002 Å
• b: 18.966 ± 0.002 Å
• c: 24.392 ± 0.002 Å
• α: 90°
• β: 97.548 ± 0.008°
• γ: 90°
• Cell volume: 10090.8 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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 all reflections: 0.1349
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections: 0.1859
• Weighted residual factors for significantly intense reflections: 0.1668
• Goodness-of-fit parameter for all reflections: 1.029
• Goodness-of-fit parameter for significantly intense reflections: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No