Information card for entry 4335308

Structure parameters

• Common name: [Ru(D)2(D2)2(P(C5H9)3)2]
• Formula: C30 H54 D6 P2 Ru
• Calculated formula: C30 H54 D5.06 P2 Ru
• Title of publication: Probing Highly Selective H/D Exchange Processes with a Ruthenium Complex through Neutron Diffraction and Multinuclear NMR Studies.
• Authors of publication: Mary Grellier; Sax A. Mason; Alberto Albinati; Silvia C. Capelli; Silvia Rizzato; Christian Bijani; Yannick Coppel; Sylviane Sabo-Etienne
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7329 - 7337
• a: 14.8292 ± 0.0001 Å
• b: 9.426 ± 0.0001 Å
• c: 21.67 ± 0.0002 Å
• α: 90°
• β: 105.384 ± 0.0006°
• γ: 90°
• Cell volume: 2920.51 ± 0.05 ų
• Cell temperature: 20 ± 1 K
• Ambient diffraction temperature: 20 ± 1 K
• Number of distinct elements: 5
• 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: 0.0452
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.1675 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No