Information card for entry 7122806

Structure parameters

• Common name: BeCl(NTMS2)(CDC)
• Formula: C36 H54 Be Cl N5 Si2
• Calculated formula: C36 H54 Be Cl N5 Si2
• 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: 9.0264 ± 0.0006 Å
• b: 24.8747 ± 0.0019 Å
• c: 16.8657 ± 0.0012 Å
• α: 90°
• β: 90.557 ± 0.002°
• γ: 90°
• Cell volume: 3786.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No