Information card for entry 7039611

Structure parameters

• Common name: [L1Cu(OH2)]ClO4
• Chemical name: [([(1-methyl-1H-imidazol-2-yl)methylidene] ({2-[(1-methyl-1H-imidazol-2-yl)methylidene]aminoethyl})amine) (perchlorato)copper(II)]perchlorate
• Formula: C12 H18 Cl2 Cu N6 O9
• Calculated formula: C12 H18 Cl2 Cu N6 O9
• SMILES: [Cu]123([OH2])[n]4c(n(cc4)C)C=[N]1CC[N]2=Cc1[n]3ccn1C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Reversible methanol addition to copper Schiff base complexes: a kinetic, structural and spectroscopic study of reactions at azomethine C[double bond, length as m-dash]N bonds.
• Authors of publication: Zhang, Wuyu; Saraei, Nina; Nie, Hanlin; Vaughn, John R.; Jones, Alexis S.; Mashuta, Mark S.; Buchanan, Robert M.; Grapperhaus, Craig A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 40
• Pages of publication: 15791 - 15799
• a: 8.227 ± 0.003 Å
• b: 11.003 ± 0.004 Å
• c: 11.441 ± 0.004 Å
• α: 78.99 ± 0.03°
• β: 70.69 ± 0.03°
• γ: 88.76 ± 0.03°
• Cell volume: 958.4 ± 0.6 ų
• Cell temperature: 100.1 ± 1 K
• Ambient diffraction temperature: 100.1 ± 1 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: 0.0541
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No