Information card for entry 7059863

Structure parameters

• Formula: C39 H54 B Cu N2 O2
• Calculated formula: C39 H54 B Cu N2 O2
• 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: 12.4025 ± 0.0014 Å
• b: 14.8764 ± 0.0019 Å
• c: 20.461 ± 0.002 Å
• α: 93.49 ± 0.009°
• β: 96.621 ± 0.011°
• γ: 93.591 ± 0.009°
• Cell volume: 3733.8 ± 0.7 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: 0.1097
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No