Information card for entry 4346866

Structure parameters

• Formula: C26 H24 Cl2 N6 O11 Ru
• Calculated formula: C26 H24 Cl2 N6 O11 Ru
• SMILES: [Ru]123([n]4ccccc4c4[n]1[nH]c(c4)C(=O)OCC)([n]1ccccc1c1[n]2c(ccc1)c1[n]3cccc1)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Single Site Isomeric Ru WOCs with an Electron-Withdrawing Group: Synthesis, Electrochemical Characterization, and Reactivity.
• Authors of publication: Mognon, Lorenzo; Benet-Buchholz, Jordi; Llobet, Antoni
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 24
• Pages of publication: 11948 - 11957
• a: 11.6059 ± 0.0003 Å
• b: 15.1634 ± 0.0004 Å
• c: 16.5717 ± 0.0004 Å
• α: 90°
• β: 96.41 ± 0.001°
• γ: 90°
• Cell volume: 2898.14 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No