Information card for entry 4086900

Structure parameters

• Formula: C27 H38 Be N2
• Calculated formula: C27 H38 Be N2
• SMILES: [N]1(=C(C=C(N([Be]1CC(C)C)c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Syntheses and Structures of Homo- and Heteroleptic Beryllium Complexes Containing N,N′-Chelating Ligands
• Authors of publication: Bayram, Melike; Naglav, Dominik; Wölper, Christoph; Schulz, Stephan
• Journal of publication: Organometallics
• Year of publication: 2017
• a: 9.1804 ± 0.0004 Å
• b: 9.3731 ± 0.0003 Å
• c: 15.6427 ± 0.0008 Å
• α: 99.009 ± 0.002°
• β: 97.803 ± 0.002°
• γ: 108.922 ± 0.002°
• Cell volume: 1232.27 ± 0.09 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0483
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No