Information card for entry 1513604

Structure parameters

• Formula: C27 H22 Cl3 N6 O6 Ru
• Calculated formula: C27 H22 Cl3 N6 O6 Ru
• SMILES: c1[n]2[Ru]3(Cl)(Cl)([n]4c(c2ccc1)cc(cc4c1[n]3cccc1)c1ccc(cc1)C[n+]1ccccc1)Cl.O=N(=O)[O-].O=N(=O)O
• Title of publication: Characterization and performance of electrostatically adsorbed Ru‒Hbpp water oxidation catalysts
• Authors of publication: Aguiló, Joan; Francàs, Laia; Liu, Hai Jie; Bofill, Roger; García-Antón, Jordi; Benet-Buchholz, Jordi; Llobet, Antoni; Escriche, Lluís; Sala, Xavier
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 190
• a: 19.3405 ± 0.0008 Å
• b: 11.3692 ± 0.0003 Å
• c: 25.8709 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5688.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No