Information card for entry 7206167

Structure parameters

• Formula: C60 H60 Cl N8 O8 Ru2
• Calculated formula: C60 H60 Cl N8 O8 Ru2
• SMILES: c1cc(OC)ccc1[N]1=CN(c2ccc(OC)cc2)[Ru]234([N](=CN(c5ccc(cc5)OC)[Ru]14(N(C=[N]2c1ccc(OC)cc1)c1ccc(OC)cc1)N(C=[N]3c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccc(OC)cc1)Cl
• 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: 14.2592 ± 0.0008 Å
• b: 14.2608 ± 0.0008 Å
• c: 30.4171 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6185.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.2048
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.2314
• Weighted residual factors for all reflections included in the refinement: 0.3492
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No