Information card for entry 4331378

Structure parameters

• Formula: C82 H128.83 Be2 Cl2 K2 N4 O12
• Calculated formula: C82 H128.832 Be2 Cl2 K2 N4 O12
• Title of publication: Three-Coordinate Beryllium β-Diketiminates: Synthesis and Reduction Chemistry
• Authors of publication: Merle Arrowsmith; Michael S. Hill; Gabriele Kociok-Köhn; Dugald J. MacDougall; Mary F. Mahon; Ian Mallov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 13408 - 13418
• a: 18.2948 ± 0.0002 Å
• b: 18.8402 ± 0.0003 Å
• c: 25.1512 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8669.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1082
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1645
• 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: Yes
• Has Fobs: No