Information card for entry 4085405

Structure parameters

• Formula: C50 H62 Be2 N4
• Calculated formula: C50 H62 Be2 N4
• 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: 11.5313 ± 0.0003 Å
• b: 13.2003 ± 0.0003 Å
• c: 14.7227 ± 0.0003 Å
• α: 90°
• β: 97.3672 ± 0.0014°
• γ: 90°
• Cell volume: 2222.54 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No