Information card for entry 4331377

Structure parameters

• Formula: C35 H59 Be N3 Si2
• Calculated formula: C35 H59 Be N3 Si2
• SMILES: [Si](N([Si](C)(C)C)[Be]1[N](=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)(C)(C)C
• Title of publication: Three-Coordinate Beryllium β-Diketiminates: Synthesis and Reduction Chemistry
• Authors of publication: Merle Arrowsmith; Michael S. Hill; Gabriele Kociok-Köhn; Dugald J. MacDougall; Mary F. Mahon; Ian Mallov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 13408 - 13418
• a: 9.1722 ± 0.0001 Å
• b: 10.5996 ± 0.0002 Å
• c: 20.439 ± 0.0004 Å
• α: 91.472 ± 0.001°
• β: 92.382 ± 0.001°
• γ: 114.454 ± 0.001°
• Cell volume: 1805.28 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No