Information card for entry 4088076

Structure parameters

• Formula: C22 H51 N2 O Si4 Sm
• Calculated formula: C22 H51 N2 O Si4 Sm
• SMILES: [Sm]1234(N([SiH](C)C)[SiH](C)C)([O]5CCCC5)(N([SiH](C)C)[SiH](C)C)[c]5([c]1([c]2([c]4([c]35C)C)C)C)C
• Title of publication: Ln(II)/Pb(II)‒Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal Half-Sandwich Complexes
• Authors of publication: Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 24
• Pages of publication: 5734
• a: 10.2768 ± 0.0007 Å
• b: 20.9232 ± 0.0014 Å
• c: 14.4697 ± 0.001 Å
• α: 90°
• β: 96.958 ± 0.001°
• γ: 90°
• Cell volume: 3088.4 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• 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: 0.0177
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.0447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No