Information card for entry 4330449

Structure parameters

• Chemical name: 2,5-dipyridylpyrrole
• Formula: C14 H11 N3
• Calculated formula: C14 H11 N3
• SMILES: c1cccc(c2ccc(c3ccccn3)[nH]2)n1
• Title of publication: Complexes of 2,5-Bis(α-pyridyl)pyrrolate with Pd(II) and Pt(II): A Monoanionic Iso-π-Electron Ligand Analog of Terpyridine
• Authors of publication: Gregory H. Imler; Zhi Lu; Kurt A. Kistler; Patrick J. Carroll; Bradford B. Wayland; Michael J. Zdilla
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10122 - 10128
• a: 5.9045 ± 0.0007 Å
• b: 12.7669 ± 0.0016 Å
• c: 15.3114 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1154.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No