Information card for entry 4088147

Structure parameters

• Formula: C48 H52 O2 Sn2
• Calculated formula: C48 H52 O2 Sn2
• SMILES: c1([Sn]2[OH][Sn](c3c(cccc3c3c(cc(cc3C)C)C)c3c(cc(cc3C)C)C)[OH]2)c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Reactions of m-Terphenyl-Stabilized Germylene and Stannylene with Water and Methanol: Oxidative Addition versus Arene Elimination and Different Reaction Pathways for Alkyl- and Aryl-Substituted Species
• Authors of publication: Erickson, Jeremy D.; Vasko, Petra; Riparetti, Ryan D.; Fettinger, James C.; Tuononen, Heikki M.; Power, Philip P.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 24
• Pages of publication: 5785
• a: 10.2893 ± 0.0004 Å
• b: 22.5948 ± 0.0008 Å
• c: 8.7294 ± 0.0003 Å
• α: 90°
• β: 99.7123 ± 0.0011°
• γ: 90°
• Cell volume: 2000.36 ± 0.13 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No