Information card for entry 4088717

Structure parameters

• Formula: C52 H60 Ge Zn
• Calculated formula: C52 H60 Ge Zn
• SMILES: [Ge]([Zn]CC)(CC)(c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• 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: 47.2 ± 0.004 Å
• b: 11.244 ± 0.0009 Å
• c: 17.3628 ± 0.0014 Å
• α: 90°
• β: 94.509 ± 0.004°
• γ: 90°
• Cell volume: 9186.2 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0924
• Weighted residual factors for significantly intense reflections: 0.2448
• Weighted residual factors for all reflections included in the refinement: 0.2544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No