Information card for entry 4348245

Structure parameters

• Formula: C24 H23 N5
• Calculated formula: C24 H23 N5
• SMILES: N(C(c1ncccc1)Cc1ncccc1)(Cc1ncccc1)Cc1ncccc1
• Title of publication: Formation, Characterization, and Reactivity of a Nonheme Oxoiron(IV) Complex Derived from the Chiral Pentadentate Ligand asN4Py.
• Authors of publication: Lakk-Bogáth, Dóra; Csonka, Róbert; Speier, Gábor; Réglier, Marius; Simaan, A. Jalila; Naubron, Jean-Valère; Giorgi, Michel; Lázár, Károly; Kaizer, József
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 20
• Pages of publication: 10090 - 10093
• a: 8.6788 ± 0.0006 Å
• b: 8.8994 ± 0.0004 Å
• c: 13.9946 ± 0.0009 Å
• α: 102.349 ± 0.005°
• β: 104.313 ± 0.006°
• γ: 95.215 ± 0.005°
• Cell volume: 1011.24 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No