Information card for entry 7002248

Structure parameters

• Formula: C28 H20 N4 Ni O2
• Calculated formula: C28 H20 N4 Ni O2
• SMILES: C1(=N[N]2[Ni]3([N](=C(C=2c2ccccc2)c2ccccc2)N=C(O3)c2ccccc2)O1)c1ccccc1
• Title of publication: Structural diversity of benzil bis(benzoylhydrazone): Mononuclear, binuclear and trinuclear complexes
• Authors of publication: López-Torres, Elena; Mendiola, M. Antonia
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 37
• Pages of publication: 7639 - 7647
• a: 26.762 ± 0.002 Å
• b: 12.3139 ± 0.0009 Å
• c: 6.7859 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2236.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No