Information card for entry 4074161

Structure parameters

• Formula: C28 H61 Li3 O7 Zn
• Calculated formula: C28 H61 Li3 O7 Zn
• SMILES: [ZnH]12[O]3(C(C)(C)C)[Li]4([O]2([Li]2([O]1([Li]3([O]42C(C)(C)C)[O]1CCCC1)C(C)(C)C)[O]1CCCC1)C(C)(C)C)[O]1CCCC1
• Title of publication: Convenient Access to Homo- and Heterobimetallic Alkoxo Hydridozinc Clusters of Formula [(HZnOtBu)4-n(LiOtBu)n] (n= 0, 1, 2, 3)
• Authors of publication: Marciniak, Wojciech; Merz, Klaus; Moreno, Mariluna; Driess, Matthias
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 21
• Pages of publication: 4931
• a: 10.1859 ± 0.0004 Å
• b: 24.8508 ± 0.0009 Å
• c: 14.1455 ± 0.0004 Å
• α: 90°
• β: 96.14 ± 0.002°
• γ: 90°
• Cell volume: 3560.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1396
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No