Information card for entry 7062394

Structure parameters

• Formula: C20 H20 Cl N O2 Ru
• Calculated formula: C20 H20 Cl N O2 Ru
• SMILES: [Ru]123456(Cl)(OC(=O)c7[n]1c1c(cc7)cccc1)[cH]1[c]2([cH]4[cH]5[c]6([cH]31)C)C(C)C
• Title of publication: N-coordinated Ru(ii) catalyzed solvent free N-alkylation of primary amines with alcohols through borrowing hydrogen strategy
• Authors of publication: Patel, Bhavya; Ranjan, Rishi; Chauhan, Nimesh R.; Mukhopadhyay, Suman; Choudhury, Angshuman Roy; Vyas, Komal M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 17
• Pages of publication: 8305 - 8317
• a: 10.8285 ± 0.0005 Å
• b: 17.5067 ± 0.0005 Å
• c: 10.596 ± 0.0005 Å
• α: 90°
• β: 117.668 ± 0.006°
• γ: 90°
• Cell volume: 1779.01 ± 0.16 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0618
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No