Information card for entry 4084437

Structure parameters

• Formula: C30 H23 Cl S Sn
• Calculated formula: C30 H23 Cl S Sn
• SMILES: [Sn](Cl)(c1ccc2c3c(ccc(Sc4ccccc4)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: 10.8028 ± 0.0012 Å
• b: 12.2018 ± 0.0014 Å
• c: 19.344 ± 0.002 Å
• α: 86.738 ± 0.007°
• β: 79.174 ± 0.006°
• γ: 82.691 ± 0.007°
• Cell volume: 2482.6 ± 0.5 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 all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No