Information card for entry 1558019

Structure parameters

• Formula: C8 H16 Be N6
• Calculated formula: C8 H16 Be N6
• SMILES: C1(C)=[NH][Be]2(NC(=N1)C)[NH]=C(C)N=C(C)N2
• Title of publication: Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters
• Authors of publication: Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 21
• Pages of publication: 5415 - 5422
• a: 9.9478 ± 0.0003 Å
• b: 9.9478 ± 0.0003 Å
• c: 5.4077 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 535.14 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 94
• Hermann-Mauguin space group symbol: P 42 21 2
• Hall space group symbol: P 4n 2n
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No