Information card for entry 4112119

Structure parameters

• Common name: Ru(H)2(eta2-H2)2[P(C5H27)3]2
• Formula: C30 H60 P2 Ru
• Calculated formula: C30 H60 P2 Ru
• SMILES: C1(CCCC1)[P](C1CCCC1)(C1CCCC1)[RuH6][P](C1CCCC1)(C1CCCC1)C1CCCC1
• Title of publication: Synthesis, Neutron Structure, and Reactivity of the Bis(dihydrogen) Complex RuH2(η2-H2)2(PCyp3)2 Stabilized by Two Tricyclopentylphosphines
• Authors of publication: Mary Grellier; Laure Vendier; Bruno Chaudret; Alberto Albinati; Silvia Rizzato; Sax Mason; Sylviane Sabo-Etienne
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 17592 - 17593
• a: 14.8322 ± 0.0009 Å
• b: 9.4259 ± 0.0006 Å
• c: 21.679 ± 0.0014 Å
• α: 90 ± 0.002°
• β: 105.377 ± 0.0017°
• γ: 90 ± 0.002°
• Cell volume: 2922.4 ± 0.3 ų
• Cell temperature: 20 ± 1 K
• Ambient diffraction temperature: 20 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.316 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No