Information card for entry 2223190

Structure parameters

• Chemical name: Bis{2-methoxy-6-[(3-pyridyl)methyliminomethyl]phenolato}copper(II)
• Formula: C28 H26 Cu N4 O4
• Calculated formula: C28 H26 Cu N4 O4
• SMILES: [Cu]12(Oc3c(cccc3C=[N]1Cc1cccnc1)OC)[N](=Cc1c(c(ccc1)OC)O2)Cc1cccnc1
• Title of publication: Bis{2-methoxy-6-[(3-pyridyl)methyliminomethyl]phenolato}copper(II)
• Authors of publication: Wang, Yun; Zhu, Li-Li; Sun, Bai-Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m1058
• a: 11.455 ± 0.002 Å
• b: 14.414 ± 0.003 Å
• c: 7.5491 ± 0.0015 Å
• α: 90°
• β: 102.55 ± 0.03°
• γ: 90°
• Cell volume: 1216.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0385
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.409
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes