Information card for entry 4511615

Structure parameters

• Formula: C21 H29 N2 O3 P Ru
• Calculated formula: C21 H29 N2 O3 P Ru
• SMILES: [RuH]12([P](Cc3[n]2c(c2[n]1cccc2)ccc3)(C(C)(C)C)C(C)(C)C)(C#[O])OC=O
• Title of publication: Reusable Homogeneous Catalytic System for Hydrogen Production from Methanol and Water
• Authors of publication: Hu, Peng; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David
• Journal of publication: ACS Catalysis
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 8
• Pages of publication: 2649
• a: 8.6291 ± 0.0004 Å
• b: 15.0143 ± 0.0006 Å
• c: 16.9802 ± 0.0007 Å
• α: 88.131 ± 0.002°
• β: 88.041 ± 0.002°
• γ: 86.19 ± 0.002°
• Cell volume: 2192.79 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No