Information card for entry 4112120

Structure parameters

• 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: 14.9282 ± 0.0016 Å
• b: 9.458 ± 0.0007 Å
• c: 21.713 ± 0.002 Å
• α: 90°
• β: 105.139 ± 0.013°
• γ: 90°
• Cell volume: 2959.3 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0275
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No