Information card for entry 4084137

Structure parameters

• Formula: C17 H27 Cl N3 O2 P Ru
• Calculated formula: C17 H27 Cl N3 O2 P Ru
• SMILES: [n]12c3N[P](C(C)(C)C)(C(C)(C)C)[RuH]2([N]2=C(OCC2)c1ccc3)(C#[O])Cl
• Title of publication: Hydrogenation of Esters Catalyzed by Ruthenium PN3-Pincer Complexes Containing an Aminophosphine Arm
• Authors of publication: Chen, Tao; Li, Huaifeng; Qu, Shuanglin; Zheng, Bin; He, Lipeng; Lai, Zhiping; Wang, Zhi-Xiang; Huang, Kuo-Wei
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 15
• Pages of publication: 4152
• a: 7.7323 ± 0.0007 Å
• b: 7.999 ± 0.0006 Å
• c: 16.7145 ± 0.0014 Å
• α: 102.266 ± 0.007°
• β: 96.939 ± 0.007°
• γ: 90.8 ± 0.006°
• Cell volume: 1001.97 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.286
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No