Information card for entry 7704168

Structure parameters

• Formula: C6 H15 Be Br2 N
• Calculated formula: C6 H15 Be Br2 N
• Title of publication: Probing the electronic boundaries between trigonal and tetrahedral coordination at beryllium.
• Authors of publication: Buchner, Magnus R.; Müller, Matthias; Spang, Nils
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 23
• Pages of publication: 7708 - 7712
• a: 7.8122 ± 0.0003 Å
• b: 9.8904 ± 0.0003 Å
• c: 13.0159 ± 0.0005 Å
• α: 90°
• β: 93.991 ± 0.003°
• γ: 90°
• Cell volume: 1003.24 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0191
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No