Information card for entry 7124314

Structure parameters

• Formula: Be Br2 H36 N12
• Calculated formula: Be Br2 H36 N12
• 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: 10.445 ± 0.0002 Å
• b: 11.5311 ± 0.0002 Å
• c: 16.3117 ± 0.0005 Å
• α: 90°
• β: 101.353 ± 0.002°
• γ: 90°
• Cell volume: 1926.18 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0265
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No