Information card for entry 4338737

Structure parameters

• Formula: C34 H36 N2 O10 Ru2
• Calculated formula: C34 H36 N2 O10 Ru2
• SMILES: c1c2c3c(c4ccccc4c4c3c(c1)N[Ru]13(O4)(OC(=CC(=[O]1)C)C)OC(=CC(=[O]3)C)C)O[Ru]13(N2)(OC(=CC(=[O]1)C)C)OC(=CC(=[O]3)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: 15.18 ± 0.0012 Å
• b: 17.2648 ± 0.001 Å
• c: 14.431 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3782.1 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1278
• Residual factor for significantly intense reflections: 0.1048
• Weighted residual factors for significantly intense reflections: 0.2274
• Weighted residual factors for all reflections included in the refinement: 0.2424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No