Information card for entry 7059867

Structure parameters

• Formula: C64 H92 B Cu N4 O4
• Calculated formula: C64 H92 B Cu N4 O4
• 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: 16.1031 ± 0.0003 Å
• b: 18.2156 ± 0.0003 Å
• c: 20.4319 ± 0.0004 Å
• α: 90°
• β: 97.627 ± 0.002°
• γ: 90°
• Cell volume: 5940.22 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.042
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No