Information card for entry 7002246

Structure parameters

• Formula: C28 H22 N4 O2
• Calculated formula: C28 H22 N4 O2
• SMILES: O=C(N/N=C(\C(=N/NC(=O)c1ccccc1)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: 19.4854 ± 0.0006 Å
• b: 11.4782 ± 0.0004 Å
• c: 9.7608 ± 0.0003 Å
• α: 90°
• β: 95.877 ± 0.002°
• γ: 90°
• Cell volume: 2171.6 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No