Information card for entry 7015568

Structure parameters

• Formula: C20.7 H22.8 Cu F6 N4 O6.7 S2
• Calculated formula: C20.7 H22.8 Cu F6 N4 O6.7 S2
• Title of publication: When is an imine not an imine? Unusual reactivity of a series of Cu(II) imine-pyridine complexes and their exploitation for the Henry reaction.
• Authors of publication: Cooper, Christine J.; Jones, Matthew D.; Brayshaw, Simon K.; Sonnex, Benjamin; Russell, Mark L.; Mahon, Mary F.; Allan, David R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 14
• Pages of publication: 3677 - 3682
• a: 8.86 ± 0.0005 Å
• b: 11.289 ± 0.0005 Å
• c: 14.651 ± 0.0007 Å
• α: 80.751 ± 0.003°
• β: 86.603 ± 0.002°
• γ: 69.248 ± 0.003°
• Cell volume: 1352.51 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No