Information card for entry 4119020

Structure parameters

• Common name: RuCppH
• Formula: C30 H23 F12 N7 O4 P2 Ru
• Calculated formula: C30 H23 F12 N7 O4 P2 Ru
• Title of publication: Molecular and Cellular Characterization of the Biological Effects of Ruthenium(II) Complexes Incorporating 2-Pyridyl-2-pyrimidine-4-carboxylic Acid
• Authors of publication: Vanessa Pierroz; Tanmaya Joshi; Anna Leonidova; Cristina Mari; Julia Schur; Ingo Ott; Leone Spiccia; Stefano Ferrari; Gilles Gasser
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 20376 - 20387
• a: 11.6446 ± 0.0006 Å
• b: 24.0079 ± 0.0011 Å
• c: 13.3326 ± 0.0006 Å
• α: 90°
• β: 99.087 ± 0.002°
• γ: 90°
• Cell volume: 3680.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0598
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No