Information card for entry 4319862

Structure parameters

• Formula: C57 H95.5 Fe P3 Ru
• Calculated formula: C57 H95.5 Fe P3 Ru
• Title of publication: Preparation and Characterization of Ruthenium(II) Monophosphaferrocene Complexes. Reactivity, Dynamic Solution Behavior, and X-ray Structure of [RuH2(η2-H2)(PCy3)2(2-phenyl-3,4-dimethylphosphaferrocene)]
• Authors of publication: Andrew J. Toner; Bruno Donnadieu; Sylviane Sabo-Etienne; Bruno Chaudret; Xavier Sava; François Mathey; Pascal Le Floch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3034 - 3038
• a: 12.2591 ± 0.0014 Å
• b: 13.7902 ± 0.0013 Å
• c: 34.848 ± 0.004 Å
• α: 90°
• β: 94.636 ± 0.014°
• γ: 90°
• Cell volume: 5872 ± 1.1 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 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: 0.062
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK\?
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No