Information card for entry 1551921

Structure parameters

• Formula: C52 H74 Be N2
• Calculated formula: C52 H74 Be N2
• SMILES: C1(C(CC(N1c1c(cccc1C(C)C)C(C)C)(C)C)(C)C)=[Be]=C1C(CC(N1c1c(cccc1C(C)C)C(C)C)(C)C)(C)C.c1ccccc1.c1ccccc1
• 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: 10.009 ± 0.003 Å
• b: 10.854 ± 0.004 Å
• c: 11.522 ± 0.003 Å
• α: 73.426 ± 0.012°
• β: 71.114 ± 0.008°
• γ: 78.842 ± 0.011°
• Cell volume: 1128 ± 0.6 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: 0.0636
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No