Information card for entry 4088874

Structure parameters

• Formula: C68 H74 Mo2 O8 Sn2
• Calculated formula: C68 H74 Mo2 O8 Sn2
• SMILES: C(#[O])[Mo]1(C#[O])(C#[O])(C#[O])[Sn](c2c(cccc2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[Mo](C#[O])(C#[O])(C#[O])(C#[O])[Sn]1c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)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: 14.2089 ± 0.0003 Å
• b: 11.6216 ± 0.0002 Å
• c: 20.064 ± 0.0004 Å
• α: 90°
• β: 107.127 ± 0.0008°
• γ: 90°
• Cell volume: 3166.25 ± 0.11 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No