Information card for entry 4085404

Structure parameters

• Formula: C23 H30 Be N2
• Calculated formula: C23 H30 Be N2
• SMILES: [Be](=C1N(C=CN1c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)(C)C
• Title of publication: Activation of N-Heterocyclic Carbenes by {BeH2} and {Be(H)(Me)} Fragments
• Authors of publication: Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 3
• Pages of publication: 653
• a: 14.1614 ± 0.0007 Å
• b: 17.0899 ± 0.0008 Å
• c: 17.9197 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4336.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.1086
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No