Information card for entry 7716897

Structure parameters

• Formula: C28 H34 Be N4
• Calculated formula: C28 H34 Be N4
• SMILES: N(c1c(cc(cc1C)C)C)[Be]([n]1ccccc1)(Nc1c(cc(cc1C)C)C)[n]1ccccc1
• Title of publication: Multinuclear beryllium amide and imide complexes: structure, properties and bonding.
• Authors of publication: Bekiş, Deniz F; Thomas-Hargreaves, Lewis R; Ivlev, Sergei I.; Buchner, Magnus R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 37
• Pages of publication: 15551 - 15564
• a: 16.1582 ± 0.0015 Å
• b: 8.63 ± 0.0005 Å
• c: 17.5982 ± 0.0015 Å
• α: 90°
• β: 95.03 ± 0.007°
• γ: 90°
• Cell volume: 2444.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No