Information card for entry 2226689

Structure parameters

• Chemical name: Bis[μ-(<i>E</i>)-<i>N</i>'-(4-oxido-4-phenylbut-3-en-2-ylidene)benzohydrazidato]bis[pyridinecopper(II)]
• Formula: C44 H38 Cu2 N6 O4
• Calculated formula: C44 H38 Cu2 N6 O4
• SMILES: c1c(C2=CC(=[N]3[Cu](OC(=N3)c3ccccc3)(O2)[n]2ccccc2)C)cccc1
• Title of publication: Bis[μ-(<i>E</i>)-<i>N</i>'-(4-oxido-4-phenylbut-3-en-2-ylidene)benzohydrazidato]bis[pyridinecopper(II)]
• Authors of publication: Hatefi, Mehdi; Sheikhshoaie, Iran; Moghadam, Majid; Mirkhani, Valiollah; Kia, Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m726 - m727
• a: 9.2678 ± 0.0019 Å
• b: 20.903 ± 0.004 Å
• c: 11.907 ± 0.004 Å
• α: 90°
• β: 122.65 ± 0.02°
• γ: 90°
• Cell volume: 1942.2 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.085
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes