Information card for entry 7001464

Structure parameters

• Formula: C11 H15 N5 Ni O
• Calculated formula: C11 H15 N5 Ni O
• SMILES: C1C[N]2=Cc3ccccc3O[Ni]2([N]1(C)C)N=N#N
• 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: 11.619 ± 0.01 Å
• b: 12.483 ± 0.008 Å
• c: 17.385 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2522 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0688
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No