Information card for entry 4084438

Structure parameters

• Formula: C30 H23 Cl Se Sn
• Calculated formula: C30 H23 Cl Se Sn
• SMILES: [Sn](Cl)(c1ccc2c3c(ccc([Se]c4ccccc4)c13)CC2)(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: 10.893 ± 0.004 Å
• b: 10.945 ± 0.004 Å
• c: 12.394 ± 0.004 Å
• α: 102.98 ± 0.007°
• β: 96.595 ± 0.007°
• γ: 118.084 ± 0.008°
• Cell volume: 1227.8 ± 0.8 ų
• Cell temperature: 125 K
• Ambient diffraction temperature: 125 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No