Information card for entry 1551919

Structure parameters

• Formula: C20 H31 Be Cl2 N
• Calculated formula: C20 H31 Be Cl2 N
• SMILES: Cl[Be](=C1N(C(CC1(C)C)(C)C)c1c(cccc1C(C)C)C(C)C)Cl
• Title of publication: Neutral zero-valent s-block complexes with strong multiple bonding
• Authors of publication: Merle Arrowsmith; Holger Braunschweig; Mehmet Ali Celik; Theresa Dellermann; Rian D. Dewhurst; William C. Ewing; Kai Hammond; Thomas Kramer; Ivo Krummenacher; Jan Mies; Krzysztof Radacki; Julia K. Schuster
• Journal of publication: Nature Chemistry
• Year of publication: 2016
• Journal volume: 8
• Pages of publication: 890 - 894
• a: 22.883 ± 0.013 Å
• b: 9.955 ± 0.003 Å
• c: 28.329 ± 0.009 Å
• α: 90°
• β: 105.871 ± 0.018°
• γ: 90°
• Cell volume: 6207 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0672
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No