Information card for entry 4130836

Structure parameters

• Formula: C42 H58 Hf O Si2 Sn
• Calculated formula: C42 H58 Hf O Si2 Sn
• SMILES: [C]12(=[C]3([C]4(=[C]([Sn]134)([Hf]134567892([cH]2[cH]1[cH]3[cH]4[cH]82)[cH]1[cH]6[cH]7[cH]5[cH]91)[Si](C)(C)C(C)(C)C)c1ccccc1)c1ccccc1)[Si](C)(C)C(C)(C)C.O1CCCC1
• Title of publication: (η(4)-Butadiene)Sn(0) Complexes: A New Approach for Zero-Valent p-Block Elements Utilizing a Butadiene as a 4π-Electron Donor.
• Authors of publication: Kuwabara, Takuya; Nakada, Marisa; Hamada, Jumpei; Guo, Jing Dong; Nagase, Shigeru; Saito, Masaichi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 35
• Pages of publication: 11378 - 11382
• a: 8.0406 ± 0.0004 Å
• b: 15.0059 ± 0.0007 Å
• c: 33.2314 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4009.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No