Information card for entry 4073399

Structure parameters

• Formula: C25 H35 Cl P2 Ru
• Calculated formula: C25 H35 Cl P2 Ru
• SMILES: [Ru]1234(Cl)([P](C)(C)c5ccccc5)([P](C)(C)c5ccccc5)[c]5([cH]4[c]3([c]2([c]15C)C)C)C
• Title of publication: Reaction of Cyclopentadienyl Ruthenium Complexes with a Carborane Anion: Effect of the Spectator Ligands on the Substitution Site
• Authors of publication: Basato, Marino; Biffis, Andrea; Buscemi, Gabriella; Callegaro, Elena; Polo, Mauro; Tubaro, Cristina; Venzo, Alfonso; Vianini, Chiara; Graiff, Claudia; Tiripicchio, Antonio; Benetollo, Franco
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 17
• Pages of publication: 4265
• a: 17.09 ± 0.003 Å
• b: 16.233 ± 0.003 Å
• c: 9.215 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2556.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.278
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No