Information card for entry 4338736

Structure parameters

• Formula: C34 H36 N2 O10 Ru2
• Calculated formula: C34 H36 N2 O10 Ru2
• SMILES: [Ru]123([O]=C4c5c(C6=[O][Ru]78(Nc9ccc(N3)c4c69)([O]=C(C)C=C(O7)C)[O]=C(C)C=C(O8)C)cccc5)([O]=C(C)C=C(O1)C)OC(=CC(=[O]2)C)C
• Title of publication: Sensitivity of the valence structure in diruthenium complexes as a function of terminal and bridging ligands.
• Authors of publication: Mandal, Abhishek; Agarwala, Hemlata; Ray, Ritwika; Plebst, Sebastian; Mobin, Shaikh M.; Priego, José Luis; Jiménez-Aparicio, Reyes; Kaim, Wolfgang; Lahiri, Goutam Kumar
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 6082 - 6093
• a: 10.8407 ± 0.0005 Å
• b: 11.9348 ± 0.0006 Å
• c: 14.6625 ± 0.0006 Å
• α: 97.885 ± 0.004°
• β: 107.085 ± 0.004°
• γ: 101.924 ± 0.004°
• Cell volume: 1734.04 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No