Information card for entry 4301883

Structure parameters

• Formula: C24 H48 I8 O12 Sn3
• Calculated formula: C24 H48 I8 O12 Sn3
• SMILES: [Sn]12345(I)[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.[I-].I[Sn](I)([I-])(I)I.[Sn]12345(I)[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
• Title of publication: Sn3I8.2(18-crown-6): a Mixed-Valent Tin-Crown-Ether Complex
• Authors of publication: Michael Wolff; Thomas Harmening; Rainer Pöttgen; Claus Feldmann
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3153 - 3156
• a: 12.418 ± 0.003 Å
• b: 7.9111 ± 0.0016 Å
• c: 24.586 ± 0.005 Å
• α: 90°
• β: 92.03 ± 0.03°
• γ: 90°
• Cell volume: 2413.8 ± 0.9 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No