Information card for entry 7039613

Structure parameters

• Common name: [L2Cu(HOCH3)][O3SCF3]2
• Chemical name: [([(1-methyl-1H-imidazol-2-yl)methylidene] ({2-[(1-methyl-1H-imidazol-2-yl)methylidene]aminoethyl})amine) (perchlorato)copper(II)]perchlorate
• Formula: C16 H25.34 Cu F6 N6 O8.67 S2
• Calculated formula: C16 H25.34 Cu F6 N6 O8.67 S2
• 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: 8.30645 ± 0.00016 Å
• b: 12.6697 ± 0.0002 Å
• c: 13.6657 ± 0.0002 Å
• α: 93.3069 ± 0.0014°
• β: 103.009 ± 0.0016°
• γ: 107.103 ± 0.0017°
• Cell volume: 1327.4 ± 0.04 ų
• Cell temperature: 100 ± 0.6 K
• Ambient diffraction temperature: 100 ± 0.6 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No