Information card for entry 2229015

Structure parameters

• Chemical name: Bis(2-{[2-(isopropylazaniumyl)ethyl]iminomethyl}-6-methoxyphenolato)copper(II) bis(thiocyanate)
• Formula: C28 H40 Cu N6 O4 S2
• Calculated formula: C28 H40 Cu N6 O4 S2
• SMILES: c12c(c(ccc1)OC)O[Cu]1([N](=C2)CC[NH2+]C(C)C)[N](=Cc2c(c(ccc2)OC)O1)CC[NH2+]C(C)C.N#C[S-].N#C[S-]
• Title of publication: Bis(2-{[2-(isopropylazaniumyl)ethyl]iminomethyl}-6-methoxyphenolato)copper(II) bis(thiocyanate)
• Authors of publication: Yuan, Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m201
• a: 13.5307 ± 0.0012 Å
• b: 9.7992 ± 0.0009 Å
• c: 24.114 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3197.3 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1091
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes