Information card for entry 4306845

Structure parameters

• Chemical name: fac-Tricarbonyl(Diclhoro)(Thiazole)Ruthenium(II)
• Formula: C6 H3 Cl2 N O3 Ru S
• Calculated formula: C6 H3 Cl2 N O3 Ru S
• SMILES: [Ru](Cl)(Cl)(C#[O])(C#[O])(C#[O])[n]1cscc1
• Title of publication: fac-{Ru(CO)3}2±Core Complexes and Design of Metal-Based Drugs. Synthesis, Structure, and Reactivity of Ru-Thiazole Derivative with Serum Proteins and Absorption-Release Studies with Acryloyl and Silica Hydrogels as Carriers in Physiological Media
• Authors of publication: Renzo Cini; Sandra Defazio; Gabriella Tamasi; Mario Casolaro; Luigi Messori; Angela Casini; Margherita Morpurgo; Michael Hursthouse
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 79 - 92
• a: 10.389 ± 0.002 Å
• b: 18.465 ± 0.003 Å
• c: 12.439 ± 0.002 Å
• α: 90°
• β: 111.02 ± 0.02°
• γ: 90°
• Cell volume: 2227.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0575
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No