Information card for entry 7015085

Structure parameters

• Formula: C41 H43 Cl2 F6 N10 P Ru2
• Calculated formula: C41 H43 Cl2 F6 N10 P Ru2
• SMILES: [Ru]123(Cl)([n]4c(cccc4)c4n1[n]1[Ru]56(Cl)([n]7c(c1c4)cccc7)[n]1c(C[N]6(Cc4[n]5cccc4)CC)cccc1)[n]1ccccc1C[N]3(Cc1[n]2cccc1)CC.[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: 12.193 ± 0.002 Å
• b: 13.033 ± 0.002 Å
• c: 16.319 ± 0.003 Å
• α: 113.015 ± 0.003°
• β: 103.473 ± 0.003°
• γ: 99.218 ± 0.003°
• Cell volume: 2227.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.138
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1796
• Weighted residual factors for all reflections included in the refinement: 0.2099
• 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