Information card for entry 4301072

Structure parameters

• Common name: Complex 3a
• Formula: C38 H24 N10 O15 Ru
• Calculated formula: C38 H24 N10 O15 Ru
• Title of publication: Ruthenium(II) Complexes Incorporating 2-(2'-Pyridyl)pyrimidine-4-carboxylic Acid
• Authors of publication: Nickita Nickita; Gilles Gasser; Pauline Pearson; Matthew J. Belousoff; Lai Y. Goh; Alan M. Bond; Glen B. Deacon; Leone Spiccia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 68 - 81
• a: 10.6234 ± 0.0005 Å
• b: 19.7463 ± 0.0008 Å
• c: 19.67 ± 0.0008 Å
• α: 90°
• β: 92.552 ± 0.002°
• γ: 90°
• Cell volume: 4122.1 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No