Information card for entry 7716900

Structure parameters

• Formula: C60 H78 Be3 N6
• Calculated formula: C60 H78 Be3 N6
• 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: 14.2365 ± 0.0015 Å
• b: 14.6407 ± 0.0015 Å
• c: 15.721 ± 0.0018 Å
• α: 63.743 ± 0.008°
• β: 71.969 ± 0.009°
• γ: 72.777 ± 0.008°
• Cell volume: 2745.2 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No