Information card for entry 1512716

Structure parameters

• Formula: C39.75 H43.5 Br4 Cl1.5 F3 N3 O6 Ru S
• Calculated formula: C39.75 H42 Br4 Cl1.5 F3 N3 O6 Ru S
• SMILES: [Ru]12([N](=Cc3c(O2)c(Br)cc(Br)c3)c2c(cccc2C(C)C)C(C)C)([N](=Cc2c(O1)c(Br)cc(Br)c2)c1c(cccc1C(C)C)C(C)C)(#N)[OH2].S(=O)(=O)([O-])C(F)(F)F.C(Cl)Cl
• Title of publication: Ruthenium(VI) nitrido complexes with a sterically bulky bidentate Schiff base ligand
• Authors of publication: Ho-Yuen Ng; Ngai-Man Lam; Min Yang; Xiao-Yi Yi; Ian D. Williams; Wa-Hung Leung
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 393
• Pages of publication: 171 - 175
• a: 8.8334 ± 0.0013 Å
• b: 14.049 ± 0.002 Å
• c: 18.822 ± 0.003 Å
• α: 90°
• β: 100.719 ± 0.002°
• γ: 90°
• Cell volume: 2295.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No