Information card for entry 7015084

Structure parameters

• Formula: C41 H47 F18 N10 O3 P3 Ru2
• Calculated formula: C41 H45 F18 N10 O2 P3 Ru2
• SMILES: [Ru]123([n]4ccccc4C[N]3(Cc3[n]2cccc3)CC)([n]2c(cccc2)c2n1[n]1[Ru]34([n]5ccccc5C[N]4(Cc4[n]3cccc4)CC)(O)[n]3c(c1c2)cccc3)O.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: A new dinuclear Ru-Hbpp based water oxidation catalyst with a trans-disposition of the Ru-OH.
• Authors of publication: Mola, Joaquim; Dinoi, Chiara; Sala, Xavier; Rodríguez, Montserrat; Romero, Isabel; Parella, Teodor; Fontrodona, Xavier; Llobet, Antoni
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 14
• Pages of publication: 3640 - 3646
• a: 11.903 ± 0.004 Å
• b: 37.646 ± 0.012 Å
• c: 12.111 ± 0.004 Å
• α: 90°
• β: 99.927 ± 0.006°
• γ: 90°
• Cell volume: 5346 ± 3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.2088
• Residual factor for significantly intense reflections: 0.1197
• Weighted residual factors for significantly intense reflections: 0.3414
• Weighted residual factors for all reflections included in the refinement: 0.3827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No