Information card for entry 7001467

Structure parameters

• Formula: C42 H62 N14 Ni2 O6 S4
• Calculated formula: C42 H62 N14 Ni2 O6 S4
• SMILES: C1C[N]2=Cc3ccccc3O[Ni]342([N]1(C)C)n1c(c2[n]3cccc2)nn[n]1[Ni]123([N](CC[N]1=Cc1ccccc1O2)(C)C)n1c(c2cccc[n]32)nn[n]41.CS(C)=O.CS(C)=O.CS(C)=O.CS(C)=O
• 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: 10.1724 ± 0.0007 Å
• b: 10.2605 ± 0.0007 Å
• c: 14.374 ± 0.001 Å
• α: 73.013 ± 0.004°
• β: 69.421 ± 0.003°
• γ: 63.716 ± 0.002°
• Cell volume: 1242.56 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0524
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No