Information card for entry 4330446

Structure parameters

• Formula: C14 H10 Cl N3 Pd
• Calculated formula: C14 H10 Cl N3 Pd
• SMILES: c1cccc2[n]1[Pd]1(n3c2ccc3c2cccc[n]12)Cl
• 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: 10.6112 ± 0.0009 Å
• b: 13.4902 ± 0.0015 Å
• c: 8.8782 ± 0.0009 Å
• α: 90°
• β: 99.556 ± 0.006°
• γ: 90°
• Cell volume: 1253.3 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.049
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections: 0.106
• Weighted residual factors for significantly intense reflections: 0.1036
• Goodness-of-fit parameter for all reflections: 1.106
• Goodness-of-fit parameter for significantly intense reflections: 1.108
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No