Information card for entry 7013692

Structure parameters

• Formula: C27 H21 Cl2 N5 O12 Ru
• Calculated formula: C27 Cl2 N5 O12 Ru
• SMILES: [Ru]123([OH2])([n]4ccccc4c4[n]1c(ccc4)c1[n]2cccc1)[n]1cccc2c1c1[n]3cccc1C(=O)C2=O.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: Acid-base equilibria of various oxidation states of aqua-ruthenium complexes with 1,10-phenanthroline-5,6-dione in aqueous media.
• Authors of publication: Fujihara, Tetsuaki; Wada, Tohru; Tanaka, Koji
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 4
• Pages of publication: 645 - 652
• a: 8.1295 ± 0.0008 Å
• b: 17.782 ± 0.002 Å
• c: 10.41 ± 0.001 Å
• α: 90°
• β: 94.916 ± 0.005°
• γ: 90°
• Cell volume: 1499.3 ± 0.3 ų
• Cell temperature: 173.2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.1926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.662
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No