Information card for entry 7709268

Structure parameters

• Formula: C40 H43 Cu N2 Sn
• Calculated formula: C40 H43 Cu N2 Sn
• SMILES: [Sn]([Cu]=C1N(CCCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: The structures of ring-expanded NHC supported copper(i) triphenylstannyls and their phenyl transfer reactivity towards heterocumulenes
• Authors of publication: Charman, Rex S. C.; Mahon, Mary F.; Lowe, John P.; Liptrot, David J.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 9.187 ± 0.0002 Å
• b: 20.1121 ± 0.0004 Å
• c: 19.8588 ± 0.0005 Å
• α: 90°
• β: 101.834 ± 0.002°
• γ: 90°
• Cell volume: 3591.32 ± 0.14 ų
• Cell temperature: 150 ± 0.3 K
• Ambient diffraction temperature: 150 ± 0.3 K
• Number of distinct elements: 5
• 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: 0.0573
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No