Information card for entry 7717300

Structure parameters

• Chemical name: [(THF)2(CAACH)Be(OCP)], 3
• Formula: C29 H48 Be N O3 P
• Calculated formula: C29 H48 Be N O3 P
• 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: 61.1639 ± 0.0003 Å
• b: 15.5496 ± 0.0001 Å
• c: 18.6563 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17743.5 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• 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