Information card for entry 2223024

Structure parameters

• Chemical name: Bis[4-chloro-2-(iminomethyl)phenolato]copper(II) methanol disolvate
• Formula: C16 H18 Cl2 Cu N2 O4
• Calculated formula: C16 H18 Cl2 Cu N2 O4
• SMILES: C1=[NH][Cu]2(Oc3c1cc(cc3)Cl)[NH]=Cc1c(ccc(c1)Cl)O2.OC.OC
• Title of publication: Bis[4-chloro-2-(iminomethyl)phenolato]copper(II) methanol disolvate
• Authors of publication: Qin, Bei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m1098
• a: 20.603 ± 0.002 Å
• b: 7.639 ± 0.001 Å
• c: 14.6681 ± 0.0015 Å
• α: 90°
• β: 129.376 ± 0.002°
• γ: 90°
• Cell volume: 1784.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes