Information card for entry 4338735

Structure parameters

• Formula: C54 H40 Cl3 N10 O14 Ru2
• Calculated formula: C54 H40 Cl3 N10 O14 Ru2
• SMILES: c12c3c4ccccc4c4c2c(ccc1N[Ru]12(O3)([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1cccc[n]21)N[Ru]12([n]3ccccc3c3[n]1cccc3)([n]1ccccc1c1[n]2cccc1)O4.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• 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: 19.3268 ± 0.0009 Å
• b: 19.3522 ± 0.0003 Å
• c: 11.0599 ± 0.0005 Å
• α: 90°
• β: 132.208 ± 0.007°
• γ: 90°
• Cell volume: 3064 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No