Information card for entry 7714825

Structure parameters

• Formula: C48 H95 Be2 K N4 Si2
• Calculated formula: C48 H95 Be2 K N4 Si2
• SMILES: [K]1[N](C)(CC[N]1(C)C)C.c1(c(C(C)C)cccc1C(C)C)N([Si](C(C)C)(C(C)C)C(C)C)[Be]123[Be]([H]1)([H]2)([H]3)N([Si](C(C)C)(C(C)C)C(C)C)c1c(C(C)C)cccc1C(C)C
• Title of publication: An anionic beryllium hydride dimer with an exceedingly short Be⋯Be distance.
• Authors of publication: Hadlington, Terrance J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 882 - 886
• a: 26.54 ± 0.005 Å
• b: 10.95 ± 0.002 Å
• c: 19.23 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5588.5 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1128
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No