Information card for entry 2239572

Structure parameters

• Chemical name: Bis{μ-<i>N</i>-[(<i>E</i>)-4-benzyloxy-2-oxidobenzylidene]-4-nitrobenzenecarbohydrazidato}bis[diaquanickel(II)] dimethylformamide tetrasolvate
• Formula: C54 H66 N10 Ni2 O18
• Calculated formula: C54 H66 N10 Ni2 O18
• SMILES: c12cc(ccc1C=[N]1[Ni]3(OC(=N1)c1ccc(N(=O)=O)cc1)([O]2[Ni]12(OC(=N[N]1=Cc1c(cc(cc1)OCc1ccccc1)[O]32)c1ccc(N(=O)=O)cc1)([OH2])[OH2])([OH2])[OH2])OCc1ccccc1.N(C=O)(C)C.O=CN(C)C.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: Bis{μ-<i>N</i>-[(<i>E</i>)-4-benzyloxy-2-oxidobenzylidene]-4-nitrobenzenecarbohydrazidato}bis[diaquanickel(II)] dimethylformamide tetrasolvate
• Authors of publication: Joseph, Bibitha; Sithambaresan, M.; Kurup, M. R. Prathapachandra; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: m211 - m212
• a: 8.4939 ± 0.0003 Å
• b: 12.5451 ± 0.0006 Å
• c: 14.6717 ± 0.0006 Å
• α: 81.662 ± 0.002°
• β: 75.613 ± 0.001°
• γ: 79.442 ± 0.001°
• Cell volume: 1480.56 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes