Information card for entry 4072641

Structure parameters

• Formula: C23 H30 Cl2 N2 O3 Ru
• Calculated formula: C23 H29 Cl2 N2 O3 Ru
• SMILES: [Ru]123456(Cl)([n]7ccc(O)cc7c7[n]1ccc(O)c7)[c]1([c]2([c]3([c]4([c]5([c]61C)C)C)C)C)C.Cl.OC
• Title of publication: Simultaneous Tuning of Activity and Water Solubility of Complex Catalysts by Acid−Base Equilibrium of Ligands for Conversion of Carbon Dioxide
• Authors of publication: Himeda, Yuichiro; Onozawa-Komatsuzaki, Nobuko; Sugihara, Hideki; Kasuga, Kazuyuki
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 3
• Pages of publication: 702
• a: 14.404 ± 0.005 Å
• b: 13.017 ± 0.003 Å
• c: 13.027 ± 0.004 Å
• α: 90°
• β: 101.75 ± 0.03°
• γ: 90°
• Cell volume: 2391.3 ± 1.3 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.624
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No