Information card for entry 2235913

Structure parameters

• Common name: [Bis(5-chlorosalicylidene)-2,2-dimethyl-1,3-propane]copper(II)
• Chemical name: {4,4'-Dichloro-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethanylylidene)]diphenolato}copper(II)
• Formula: C19 H18 Cl2 Cu N2 O2
• Calculated formula: C19 H18 Cl2 Cu N2 O2
• SMILES: [Cu]123Oc4ccc(Cl)cc4C=[N]2CC(C[N]3=Cc2cc(Cl)ccc2O1)(C)C
• Title of publication: {4,4'-Dichloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}copper(II)
• Authors of publication: Kargar, Hadi; Kia, Reza; Ganji, Fatemeh; Mirkhani, Valiollah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1135
• a: 9.4213 ± 0.0012 Å
• b: 9.5718 ± 0.0013 Å
• c: 11.4392 ± 0.0015 Å
• α: 74.478 ± 0.01°
• β: 78.635 ± 0.01°
• γ: 73.339 ± 0.01°
• Cell volume: 944.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes