Information card for entry 4330448

Structure parameters

• Formula: C14 H10 Cl N3 Pt
• Calculated formula: C14 H10 Cl N3 Pt
• SMILES: c1cccc2c3ccc4n3[Pt](Cl)([n]12)[n]1ccccc41
• 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: 10.769 ± 0.003 Å
• b: 13.456 ± 0.004 Å
• c: 8.751 ± 0.002 Å
• α: 90°
• β: 98.944 ± 0.006°
• γ: 90°
• Cell volume: 1252.7 ± 0.6 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 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: 0.0224
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for all reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.0497
• Goodness-of-fit parameter for all reflections: 1.144
• Goodness-of-fit parameter for significantly intense reflections: 1.154
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No