Information card for entry 7059868

Structure parameters

• Formula: C324 H432 Cu179.02 N24
• Calculated formula: C324 H432 Cu179.022 N24
• Title of publication: Stability and decomposition of copper(i) boryl complexes: [(IDipp)Cu‒Bneop], [(IDipp*)Cu‒Bneop] and copper clusters
• Authors of publication: Drescher, Wiebke; Borner, Corinna; Kleeberg, Christian
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 33
• Pages of publication: 14957 - 14964
• a: 24.7078 ± 0.0003 Å
• b: 34.1167 ± 0.0006 Å
• c: 26.0758 ± 0.0003 Å
• α: 90°
• β: 93.763 ± 0.001°
• γ: 90°
• Cell volume: 21933.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0735
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No