Information card for entry 7122807

Structure parameters

• Common name: Be_heterocycle
• Formula: C77 H133 Be2 K2 N12 Si8
• Calculated formula: C77 H133 Be2 K2 N12 Si8
• 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: 9.7119 ± 0.0012 Å
• b: 13.7589 ± 0.0018 Å
• c: 17.563 ± 0.002 Å
• α: 102.983 ± 0.003°
• β: 90.576 ± 0.003°
• γ: 90.238 ± 0.004°
• Cell volume: 2286.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1562
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No