Information card for entry 2014092

Structure parameters

• Chemical name: Bis{μ-2-[3-(cyclohexylamino)propyliminomethyl]phenolato}bis[dichlorocopper(II)]
• Formula: C32 H48 Cl4 Cu2 N4 O2
• Calculated formula: C32 H48 Cl4 Cu2 N4 O2
• SMILES: c12ccccc2[O]2[Cu]([N](=C1)CCC[NH2+]C1CCCCC1)(Cl)([O]1c3c(cccc3)C=[N](CCC[NH2+]C3CCCCC3)[Cu]21(Cl)Cl)Cl
• Title of publication: Bis{μ-2-[3-(cyclohexylammonio)propyliminomethyl]phenolato}bis[dichlorocopper(II)]
• Authors of publication: You, Zhong-Lu; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m445 - m446
• a: 15.487 ± 0.003 Å
• b: 22.117 ± 0.004 Å
• c: 10.442 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3576.7 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1394
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes