Information card for entry 1511766

Structure parameters

• Formula: C11 H24 Cl2 N2 O12 Ru
• Calculated formula: C11 H24 Cl2 N2 O12 Ru
• SMILES: [Ru]123(Cl)(Cl)[N](CC(C)[N]2(CC(=O)O3)CC(=O)O)(CC(=O)O1)CC(=O)O.O.O.O.O
• Title of publication: Synthesis, Structure and Antitumour Properties of a New 1,2-Propilenediaminetetraacetate-Ruthenium(III) Compound
• Authors of publication: Rosario Vilaplana; M. Angustias Romero; Miguel Quirós; Juan M. Salas; Francisco González-Vílchez
• Journal of publication: Metal Based Drugs
• Year of publication: 1995
• Journal volume: 2
• Pages of publication: 211 - 219
• a: 18.571 ± 0.003 Å
• b: 7.464 ± 0.001 Å
• c: 14.617 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2026.1 ± 0.6 ų
• Cell temperature: 292 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No