Information card for entry 7711051

Structure parameters

• Formula: C44 H38 N10 O2 Zn
• Calculated formula: C44 H38 N10 O2 Zn
• SMILES: [Zn]1234([N](=C(c5c(n(c6ccccc6)nc5C)O3)c3ccccc3)Nc3cccc[n]13)[N](=C(c1c(n(c3ccccc3)nc1C)O4)c1ccccc1)Nc1cccc[n]21
• Title of publication: Role of hydrazone substituents in determining the nuclearity and antibacterial activity of Zn(II) complexes with pyrazolone-based hydrazones
• Authors of publication: Marchetti, Fabio; Pettinari, Riccardo; Verdicchio, Federico; Tombesi, Alessia; Scuri, Stefania; Xhafa, Sonila; Olivieri, Laura; Pettinari, Claudio; Choquesillo-Lazarte, Duane; García-García, Amalia; Rodríguez Diéguez, Antonio; Galindo, Agustin
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 9.8944 ± 0.0006 Å
• b: 11.3405 ± 0.0006 Å
• c: 18.1843 ± 0.001 Å
• α: 89.3 ± 0.002°
• β: 86.246 ± 0.002°
• γ: 67.2918 ± 0.0018°
• Cell volume: 1878.02 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0731
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No