Information card for entry 4076639

Structure parameters

• Formula: C42 H62 O2 P2 Ru
• Calculated formula: C42 H62 O2 P2 Ru
• SMILES: [RuH]12([P](C3CCCCC3)(C3CCCCC3)CCCC[P]1(C1CCCCC1)C1CCCCC1)([O]=C(c1c2cccc1)c1ccccc1)C#[O]
• Title of publication: Multifunctional Ruthenium Catalysts: A Novel Borohydride-Stabilized Polyhydride Complex Containing the Basic, Chelating Diphosphine 1,4-Bis(dicyclohexylphosphino)butane and Its Application to Hydrogenation and Murai Catalysis
• Authors of publication: Drouin, Samantha D.; Amoroso, Dino; Yap, Glenn P. A.; Fogg, Deryn E.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 6
• Pages of publication: 1042
• a: 11.414 ± 0.0011 Å
• b: 12.4646 ± 0.0012 Å
• c: 14.7309 ± 0.0014 Å
• α: 105.77 ± 0.002°
• β: 95.353 ± 0.002°
• γ: 105.01 ± 0.002°
• Cell volume: 1917.6 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No