Information card for entry 4320246

Structure parameters

• Formula: C62 H136 K4 N6 O26 Sn4 Te10
• Calculated formula: C62 H56 K4 N6 O26 Sn4 Te10
• 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: 22.42 ± 0.005 Å
• b: 19.57 ± 0.004 Å
• c: 24.68 ± 0.005 Å
• α: 90°
• β: 96.9 ± 0.03°
• γ: 90°
• Cell volume: 10750 ± 4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0521
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections: 0.1809
• Weighted residual factors for significantly intense reflections: 0.1741
• Goodness-of-fit parameter for all reflections: 1.487
• Goodness-of-fit parameter for significantly intense reflections: 1.53
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No