Information card for entry 7113317

Structure parameters

• Formula: C59 H66 Mo O5 S2 Sn
• Calculated formula: C59 H66 Mo O5 S2 Sn
• SMILES: [Sn]12[Mo]([S]1c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)([S]2c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)([O]1CCCC1)(C#[O])(C#[O])C#[O].O1CCCC1
• Title of publication: Unusual coordination of tetrylenes to molybdenum carbonyl fragments
• Authors of publication: Felicitas Lips; Joshua D. Queen; James C. Fettinger; Philip P. Power
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 5561
• a: 13.4501 ± 0.0002 Å
• b: 14.5803 ± 0.0002 Å
• c: 14.8084 ± 0.0003 Å
• α: 64.754 ± 0.001°
• β: 86.388 ± 0.001°
• γ: 88.823 ± 0.001°
• Cell volume: 2621.36 ± 0.08 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No