Information card for entry 4073107

Structure parameters

• Formula: C54 H78 Sn2
• Calculated formula: C54 H78 Sn2
• SMILES: [Sn](c1ccc(cc1)c1ccc(cc1)c1ccc([Sn](C2CCCCC2)(C2CCCCC2)C2CCCCC2)cc1)(C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: α,ω-Bis(trialkynyltin) Compounds with a Linear or Cross-Shaped Spacer
• Authors of publication: Elhamzaoui, Hicham; Jousseaume, Bernard; Toupance, Thierry; Allouchi, Hassan
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 16
• Pages of publication: 3908
• a: 14.834 ± 0.003 Å
• b: 17.7 ± 0.004 Å
• c: 18.809 ± 0.004 Å
• α: 90°
• β: 101.74 ± 0.03°
• γ: 90°
• Cell volume: 4835.2 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.1892
• Weighted residual factors for all reflections included in the refinement: 0.1944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No