Information card for entry 1551922

Structure parameters

• Formula: C43 H66 Be N2
• Calculated formula: C43 H66 Be N2
• SMILES: C1(=[Be]=C2C3(CC(N2c2c(cccc2C(C)C)C(C)C)(C)C)CCCCC3)C(CC(N1c1c(cccc1C(C)C)C(C)C)(C)C)(C)C
• 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: 10.205 ± 0.003 Å
• b: 11.905 ± 0.003 Å
• c: 16.885 ± 0.004 Å
• α: 95.186 ± 0.007°
• β: 92.747 ± 0.007°
• γ: 112.17 ± 0.007°
• Cell volume: 1884.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1585
• Weighted residual factors for all reflections included in the refinement: 0.1716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No