Information card for entry 4084442

Structure parameters

• Formula: C43 H40 Cl2 O S2 Sn
• Calculated formula: C43 H34 Cl2 O S2 Sn
• 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: 10.0908 ± 0.0017 Å
• b: 17.466 ± 0.003 Å
• c: 21.113 ± 0.004 Å
• α: 90°
• β: 101.996 ± 0.008°
• γ: 90°
• Cell volume: 3639.8 ± 1.1 ų
• Cell temperature: 125 K
• Ambient diffraction temperature: 125 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No