Information card for entry 1513605

Structure parameters

• Formula: C268 H204 Cl4 F96 N48 P16 Ru8
• Calculated formula: C268 H204 Cl4 F96 N48 P16 Ru8
• SMILES: [Ru]1234([Cl][Ru]567([n]8n4c(c4[n]3cccc4)cc8c3[n]5cccc3)[n]3ccccc3c3[n]6c(cc(c3)c3ccc(cc3)C[n+]3ccccc3)c3[n]7cccc3)[n]3ccccc3c3[n]1c(cc(c3)c1ccc(cc1)C[n+]1ccccc1)c1[n]2cccc1.[Ru]1234([Cl][Ru]567([n]8n4c(c4[n]3cccc4)cc8c3[n]5cccc3)[n]3c(c4[n]6c(c5[n]7cccc5)cc(c4)c4ccc(cc4)C[n+]4ccccc4)cccc3)[n]3ccccc3c3[n]1c(cc(c3)c1ccc(cc1)C[n+]1ccccc1)c1[n]2cccc1.[Ru]1234([Cl][Ru]567([n]8n4c(c4[n]3cccc4)cc8c3[n]5cccc3)[n]3ccccc3c3[n]6c(cc(c3)c3ccc(cc3)C[n+]3ccccc3)c3[n]7cccc3)[n]3ccccc3c3[n]1c(cc(c3)c1ccc(cc1)C[n+]1ccccc1)c1[n]2cccc1.[Ru]1234([Cl][Ru]567([n]8n4c(c4[n]3cccc4)cc8c3[n]5cccc3)[n]3ccccc3c3[n]6c(cc(c3)c3ccc(cc3)C[n+]3ccccc3)c3[n]7cccc3)[n]3ccccc3c3[n]1c(cc(c3)c1ccc(cc1)C[n+]1ccccc1)c1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 26.0256 ± 0.0014 Å
• b: 52.12 ± 0.003 Å
• c: 28.8286 ± 0.0014 Å
• α: 90°
• β: 91.92 ± 0.002°
• γ: 90°
• Cell volume: 39083 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1179
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No