Information card for entry 4331376

Structure parameters

• Formula: C35 H47 Be N3
• Calculated formula: C35 H47 Be N3
• SMILES: [Be]1(N(C(=CC(=[N]1c1c(C(C)C)cccc1C(C)C)C)C)c1c(C(C)C)cccc1C(C)C)Nc1ccccc1
• 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: 18.2273 ± 0.0008 Å
• b: 8.6294 ± 0.0004 Å
• c: 40.26 ± 0.002 Å
• α: 90 ± 0.0018°
• β: 99.0372 ± 0.0014°
• γ: 90°
• Cell volume: 6253.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No