Information card for entry 4088719

Structure parameters

• Formula: C55 H68 Sn Zn
• Calculated formula: C55 H68 Sn Zn
• SMILES: [Sn]([Zn]C)(C)(c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.CCCCC
• Title of publication: Molecular Zinc Species with Ge‒Zn and Sn‒Zn Bonds: A Reversible Insertion of a Stannylene into a Zinc‒Carbon Bond
• Authors of publication: Erickson, Jeremy D.; Riparetti, Ryan D.; Fettinger, James C.; Power, Philip P.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 12
• Pages of publication: 2124
• a: 15.522 ± 0.002 Å
• b: 13.8988 ± 0.0018 Å
• c: 22.501 ± 0.003 Å
• α: 90°
• β: 102.153 ± 0.0017°
• γ: 90°
• Cell volume: 4745.5 ± 1.1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• 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: 0.0659
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No