Information card for entry 4324510

Structure parameters

• Formula: C56 H40 Cl2 N11 O16 Ru2
• Calculated formula: C56 H40 Cl2 N11 O16 Ru2
• SMILES: [Ru]123([n]4c(C(=O)O3)ccc3ccccc43)([n]3ccccc3c3[n]1c(ccc3)c1[n]2cccc1)[N]#CC.[Cl-].O.O.O.O.O.CC#N.O
• Title of publication: Isomeric Complexes of [RuII(trpy)(L)Cl] (trpy = 2,2':6',2''-Terpyridine and HL = Quinaldic Acid): Preference of Isomeric Structural Form in Catalytic Chemoselective Epoxidation Process
• Authors of publication: Abhishek Dutta Chowdhury; Amit Das; Irshad K; Shaikh M. Mobin; Goutam Kumar Lahiri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1775 - 1785
• a: 13.3237 ± 0.0004 Å
• b: 14.4717 ± 0.0006 Å
• c: 18.3936 ± 0.0006 Å
• α: 105.741 ± 0.003°
• β: 93.689 ± 0.002°
• γ: 113.068 ± 0.004°
• Cell volume: 3081.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.2078
• Weighted residual factors for all reflections included in the refinement: 0.2215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No