Information card for entry 1555299

Structure parameters

• Formula: C22 H33 N4 O P Ru
• Calculated formula: C22 H33 N4 O P Ru
• SMILES: c12cccc3[n]2[RuH](C#[O])([n]2c(cc(C)n32)C)([N]#CC)P(=C1)(C(C)(C)C)C(C)(C)C
• Title of publication: Ammonia borane and hydrazine bis(borane) dehydrogenation mediated by an unsymmetrical (PNN) ruthenium pincer hydride: metal‒ligand cooperation for hydrogen production
• Authors of publication: Luconi, Lapo; Demirci, Umit B.; Peruzzini, Maurizio; Giambastiani, Giuliano; Rossin, Andrea
• Journal of publication: Sustainable Energy & Fuels
• Year of publication: 2019
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 2583
• a: 8.4345 ± 0.0003 Å
• b: 14.1852 ± 0.0003 Å
• c: 20.2401 ± 0.0005 Å
• α: 79.305 ± 0.002°
• β: 86.313 ± 0.002°
• γ: 81.975 ± 0.002°
• Cell volume: 2354.42 ± 0.12 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: 0.0479
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No