Information card for entry 7708578

Structure parameters

• Formula: C48 H34 Cl4 N6 O4 Ru
• Calculated formula: C48 H34 Cl4 N6 O4 Ru
• SMILES: [Ru]123(OC(=O)c4[n]3c(c3[n]2c(ccc3)C(=O)O1)ccc4)([n]1ccc(n2c3c(c4c2cccc4)cccc3)cc1)[n]1ccc(n2c3ccccc3c3c2cccc3)cc1.ClCCl.ClCCl
• Title of publication: Carbazole modification of Ruthenium Bipyridine–dicarboxylate Oxygen Evolution Molecular Catalyst
• Authors of publication: Otsuka, Hiroki; Kobayashi, Atsushi; Yoshida, Masaki; Kato, Masako
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 8.0823 ± 0.0001 Å
• b: 25.8123 ± 0.0005 Å
• c: 20.3078 ± 0.0003 Å
• α: 90°
• β: 93.895 ± 0.001°
• γ: 90°
• Cell volume: 4226.88 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0754
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No