Information card for entry 7101844

Structure parameters

• Formula: C20 H36 Sn2
• Calculated formula: C20 H36 Sn2
• SMILES: [Sn]([C@]1(C(=C(C2=C1C(=C([C@@]2([Sn](C)(C)C)C)C)C)C)C)C)(C)(C)C.[Sn]([C@@]1(C(=C(C2=C1C(=C([C@]2([Sn](C)(C)C)C)C)C)C)C)C)(C)(C)C
• Title of publication: The hexamethylpentalene dianion and other reagents for organometallic pentalene chemistry.
• Authors of publication: Ashley, Andrew E; Cowley, Andrew R; O'Hare, Dermot
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 15
• Pages of publication: 1512 - 1514
• a: 7.8927 ± 0.0002 Å
• b: 10.0097 ± 0.0002 Å
• c: 14.9792 ± 0.0003 Å
• α: 99.4761 ± 0.0007°
• β: 101.899 ± 0.0007°
• γ: 102.847 ± 0.0007°
• Cell volume: 1101.18 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Sample thermal history: The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for all reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.029
• Weighted residual factors for all reflections included in the refinement: 0.029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0405
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No