Information card for entry 7061695

Structure parameters

• Formula: C15 H12 Cl N O Ru
• Calculated formula: C15 H12 Cl N O Ru
• SMILES: [Ru]123456(Cl)(Oc7c8[n]1cccc8ccc7)[cH]1[cH]3[cH]4[cH]5[cH]2[cH]61
• Title of publication: Formic acid dehydrogenation by [Ru(η6-benzene)(L)Cl] catalysts: L = 2-methylquinolin-8-olate and quinolin-8-olate
• Authors of publication: Vatsa, Aditi; Padhi, Sumanta Kumar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 32
• Pages of publication: 15723 - 15731
• a: 7.3837 ± 0.0009 Å
• b: 15.434 ± 0.002 Å
• c: 12.6134 ± 0.0018 Å
• α: 90°
• β: 117.249 ± 0.01°
• γ: 90°
• Cell volume: 1277.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0164
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No