Information card for entry 4088869

Structure parameters

• Formula: C82 H90 Cr2 O8 Sn2
• Calculated formula: C82 H90 Cr2 O8 Sn2
• SMILES: [Sn]1([Cr]([Sn]([Cr]1(C#[O])(C#[O])(C#[O])C#[O])c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C#[O])(C#[O])(C#[O])C#[O])c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Cleavage of Ge‒Ge and Sn‒Sn Triple Bonds in Heavy Group 14 Element Alkyne Analogues (EAriPr4)2 (E = Ge, Sn; AriPr4 = C6H3-2,6(C6H3-2,6-iPr2)2) by Reaction with Group 6 Carbonyls
• Authors of publication: McCrea-Hendrick, Madison L.; Caputo, Christine A.; Linnera, Jarno; Vasko, Petra; Weinstein, Cory M.; Fettinger, James C.; Tuononen, Heikki M.; Power, Philip P.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 16
• Pages of publication: 2759
• a: 12.5774 ± 0.0005 Å
• b: 25.8862 ± 0.001 Å
• c: 22.921 ± 0.0009 Å
• α: 90°
• β: 100.013 ± 0.0007°
• γ: 90°
• Cell volume: 7349 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1481
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No