Information card for entry 7206165

Structure parameters

• Formula: C48 H40 N12 Ru2
• Calculated formula: C48 H40 N12 Ru2
• SMILES: c1(ccccc1)N1N=[N](c2ccccc2)[Ru]234[N](c5ccccc5)=NN(c5ccccc5)[Ru]14([N](c1ccccc1)=NN2c1ccccc1)[N](c1ccccc1)=NN3c1ccccc1
• Title of publication: Microwave methods for the synthesis of paddlewheel diruthenium compounds with N,N-donor ligands
• Authors of publication: Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Saguar, Susana; Urbanos, Francisco A.
• Journal of publication: Green Chemistry
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 1885
• a: 18.7417 ± 0.0015 Å
• b: 25.884 ± 0.002 Å
• c: 9.8779 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4791.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1845
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.2117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No