Information card for entry 7710124

Structure parameters

• Formula: C20 H27 Cl N4 O3 Ru
• Calculated formula: C20 H27 Cl N4 O3 Ru
• SMILES: [Ru]123456(Cl)(N7C(=O)N(C)C(=O)C=C7n7c1c[n+](c7C)C)[cH]1[cH]2[c]5([cH]3[cH]4[c]61C)C(C)C.O
• Title of publication: Water‐soluble and reusable Ru–NHC catalyst for aqueous‐phase transfer hydrogenation of quinolines with formic acid
• Authors of publication: Maji, Babulal; Bhandari, Anirban; Sadhukhan, Rayantan; Choudhury, Joyanta
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 15.331 ± 0.0012 Å
• b: 11.0698 ± 0.0009 Å
• c: 13.6313 ± 0.001 Å
• α: 90°
• β: 115.519 ± 0.003°
• γ: 90°
• Cell volume: 2087.7 ± 0.3 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 140 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: 0.1275
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0807
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No