Information card for entry 7717301

Structure parameters

• Formula: C110 H184 B E4 N8 O4
• Calculated formula: C100 H160 Be4 N8 O4
• Title of publication: Synthesis and structures of molecular beryllium Grignard analogues featuring terminal and bridging pseudohalides.
• Authors of publication: Czernetzki, Corinna; Arrowsmith, Merle; Jürgensen, Malte; Hagspiel, Stephan; Braunschweig, Holger
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• a: 35.978 ± 0.006 Å
• b: 25.4382 ± 0.0016 Å
• c: 36.315 ± 0.003 Å
• α: 90°
• β: 92.089 ± 0.01°
• γ: 90°
• Cell volume: 33214 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.2933
• Residual factor for significantly intense reflections: 0.155
• Weighted residual factors for significantly intense reflections: 0.4058
• Weighted residual factors for all reflections included in the refinement: 0.4805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.307
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No