Information card for entry 7053693

Structure parameters

• Common name: cis- and trans-bis(benzoylacetonato)pyridinecopper(ii)
• Chemical name: cis- and trans-bis(benzoylacetonato)pyridinecopper(II)
• Formula: C25 H23 Cu N O4
• Calculated formula: C25 H23 Cu N O4
• SMILES: c1ccccc1C1=CC(C)=[O][Cu]2([n]3ccccc3)(O1)[O]=C(c1ccccc1)C=C(C)O2
• Title of publication: cis- and trans-Bis(benzoylacetonato)pyridinecopper(ii): co-crystallisation of isomers and reversible pyridine loss with retention of crystallinity
• Authors of publication: Lennartson, Anders; Håkansson, Mikael; Jagner, Susan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 344 - 347
• a: 9.7867 ± 0.001 Å
• b: 28.1721 ± 0.0026 Å
• c: 15.7764 ± 0.0016 Å
• α: 90°
• β: 94.616 ± 0.004°
• γ: 90°
• Cell volume: 4335.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 0.855
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No