Information card for entry 4084436

Structure parameters

• Formula: C32 H28 S Sn
• Calculated formula: C32 H28 S Sn
• SMILES: [Sn](c1ccc2c3c(ccc(SCC)c13)CC2)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthetic, Structural, and Spectroscopic Studies of Sterically Crowded Tin‒Chalcogen Acenaphthenes
• Authors of publication: Athukorala Arachchige, Kasun S.; Diamond, Louise M.; Knight, Fergus R.; Lechner, Marie-Luise; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 21
• Pages of publication: 6089
• a: 31.347 ± 0.003 Å
• b: 9.5789 ± 0.0009 Å
• c: 17.9303 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5383.9 ± 0.9 ų
• Cell temperature: 125 K
• Ambient diffraction temperature: 125 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No