Information card for entry 4324511

Structure parameters

• Formula: C25 H19 Cl N4 O3 Ru
• Calculated formula: C25 H19 Cl N4 O3 Ru
• SMILES: C1(=O)c2ccc3ccccc3[n]2[Ru]23([n]4ccccc4c4cccc(c5cccc[n]35)[n]24)(O1)Cl.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: 14.5284 ± 0.0003 Å
• b: 16.8813 ± 0.0004 Å
• c: 8.9158 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2186.67 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0362
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.0454
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No