Information card for entry 7717297

Structure parameters

• Chemical name: [(CAAC)(CAACH)Be(OCP)], 4a
• Formula: C40.93 H63 Be Br0.07 N2 O0.93 P0.93
• Calculated formula: C40.9334 H63 Be Br0.0666 N2 O0.9334 P0.9334
• 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
• Journal volume: 53
• Journal issue: 45
• Pages of publication: 18296 - 18303
• a: 9.8175 ± 0.0002 Å
• b: 11.1664 ± 0.0003 Å
• c: 18.825 ± 0.0004 Å
• α: 73.555 ± 0.002°
• β: 83.483 ± 0.002°
• γ: 78.427 ± 0.002°
• Cell volume: 1935.52 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• 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