Information card for entry 7122805

Structure parameters

• Common name: BeCl2(CDC)
• Formula: C23 H28 Be Cl2 N4
• Calculated formula: C23 H28 Be Cl2 N4
• Title of publication: s-Block Carbodicarbene Chemistry: C(sp3)−H Activation and Cyclization Mediated by a Beryllium Center
• Authors of publication: Walley, Jacob; Breiner, Grace; Wang, Guocang; Dickie, Diane Amanda; Molino, Andrew; Dutton, Jason Laurence; Wilson, David John; Gilliard, Robert J.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 15.654 ± 0.002 Å
• b: 8.9806 ± 0.0013 Å
• c: 16.425 ± 0.003 Å
• α: 90°
• β: 106.399 ± 0.005°
• γ: 90°
• Cell volume: 2215.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No