Information card for entry 4312927

Structure parameters

• Common name: 1c
• Formula: C33 H31 Cl F6 N7 O P Ru
• Calculated formula: C33 H31 Cl F6 N7 O P Ru
• SMILES: [Ru]123(Cl)([n]4ccc(cc4c4[n]1[nH]c(c4)c1nccc(c1)C)C)[n]1ccccc1c1[n]2c(ccc1)c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].CC(=O)C
• Title of publication: Monometallic and Dimetallic Ruthenium(II)-Terpyridine Complexes Employing the Tetradentate Ligands Dipyridylpyrazolyl, Dipyridyloxadiazole, and Their Dimethyl Derivatives
• Authors of publication: Vincent J. Catalano; Tegan J. Craig
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 321 - 334
• a: 8.9129 ± 0.001 Å
• b: 12.8215 ± 0.0014 Å
• c: 15.9273 ± 0.0018 Å
• α: 104.62 ± 0.008°
• β: 99.414 ± 0.009°
• γ: 95.211 ± 0.008°
• Cell volume: 1720.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No