Information card for entry 4335711

Structure parameters

• Formula: C15 H14 Cl2 N2 O4 Ru
• Calculated formula: C15 H14 Cl2 N2 O4 Ru
• SMILES: [Ru]1(Cl)(Cl)([n]2ccc(cc2c2[n]1ccc(C)c2)C(OC)O)(C#[O])C#[O]
• Title of publication: Synthesis, Spectroscopic Properties, and Photoinduced CO-Release Studies of Functionalized Ruthenium(II) Polypyridyl Complexes: Versatile Building Blocks for Development of CORM-Peptide Nucleic Acid Bioconjugates
• Authors of publication: Caroline Bischof; Tanmaya Joshi; Aakanksha Dimri; Leone Spiccia; Ulrich Schatzschneider
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 9297 - 9308
• a: 29.11 ± 0.005 Å
• b: 13.997 ± 0.003 Å
• c: 11.777 ± 0.002 Å
• α: 90°
• β: 111.342 ± 0.006°
• γ: 90°
• Cell volume: 4469.5 ± 1.5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1852
• Weighted residual factors for all reflections included in the refinement: 0.2187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No