Information card for entry 7124319

Structure parameters

• Formula: C2 H12 Be N6
• Calculated formula: C2 H12 Be N6
• Title of publication: Preparation and Crystal Structures of the Beryllium Ammines [Be(NH3)4]X2 (X = Br, I, CN, SCN, N3) and Be(NH3)2X’2 (X’ = Cl, Br, I).
• Authors of publication: Müller, Matthias; Buchner, Magnus Richard
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.1188 ± 0.0003 Å
• b: 12.6103 ± 0.0006 Å
• c: 6.9022 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 793.69 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No