Information card for entry 7001468

Structure parameters

• Formula: C12 H12 Cu N10 O2
• Calculated formula: C12 H12 Cu N10 O2
• SMILES: c12c3cccc[n]3[Cu]3([n]4c(c5n3nnn5)cccc4)([OH2])([OH2])n2nnn1
• Title of publication: Synthesis of mono- and bis-tetrazolato complexes of Ni(II), Pt(II) and Cu(II) via 1,3-dipolar cycloadditions of 2-cyanopyridines with metal ligated azides in N,N,O-aminoiminophenolato complexes
• Authors of publication: Mukhopadhyay, Bhaswati Ghosh; Mukhopadhyay, Suman; Guedes da Silva, M. Fátima C.; Charmier, M. Adília Januário; Pombeiro, Armando J. L.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 24
• Pages of publication: 4778 - 4785
• a: 7.9891 ± 0.0005 Å
• b: 12.7094 ± 0.0009 Å
• c: 7.3912 ± 0.0006 Å
• α: 90°
• β: 97.726 ± 0.004°
• γ: 90°
• Cell volume: 743.67 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No