Information card for entry 7002247

Structure parameters

• Formula: C28 H22 N4 O2
• Calculated formula: C28 H22 N4 O2
• SMILES: C(=O)(N/N=C(c1ccccc1)/C(=N/NC(=O)c1ccccc1)c1ccccc1)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: 5.4953 ± 0.0013 Å
• b: 7.5979 ± 0.0014 Å
• c: 12.975 ± 0.003 Å
• α: 92.021 ± 0.007°
• β: 96.286 ± 0.008°
• γ: 90.381 ± 0.007°
• Cell volume: 538.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No