Information card for entry 7059864

Structure parameters

• Formula: C36 H54 B Cu N2 O3
• Calculated formula: C32 H46 B Cu N2 O2
• SMILES: C1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=[Cu]B1OCC(CO1)(C)C
• 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: 10.6114 ± 0.0002 Å
• b: 15.0816 ± 0.0004 Å
• c: 22.6645 ± 0.0005 Å
• α: 90°
• β: 93.438 ± 0.002°
• γ: 90°
• Cell volume: 3620.63 ± 0.14 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: 0.0606
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No