Information card for entry 4119471

Structure parameters

• Formula: C68 H66 B2 Cu F24 P3
• Calculated formula: C68 H66 B2 Cu F24 P3
• Title of publication: A Polar Copper-Boron One-Electron σ-Bond
• Authors of publication: Marc-Etienne Moret; Limei Zhang; Jonas C. Peters
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 3792 - 3795
• a: 26.2296 ± 0.0012 Å
• b: 19.7982 ± 0.0009 Å
• c: 26.5304 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13777.2 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No