Information card for entry 4071049

Structure parameters

• Formula: C47 H45 F6 N O3 P3 Ru S Sb
• Calculated formula: C47 H45 F6 N O3 P3 Ru S Sb
• Title of publication: (η6-Arene)−Ruthenium(II) Complexes Containing Methanide and Methandiide Anions of Ph2P(S)CH2P(NR)Ph2: Unprecedented Insertion of Isocyanide into a Ruthenium−Carbene Bond
• Authors of publication: Cadierno, Victorio; Díez, Josefina; García-Álvarez, Joaquín; Gimeno, José
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 8
• Pages of publication: 1809
• a: 20.0192 ± 0.0002 Å
• b: 12.3803 ± 0.0002 Å
• c: 20.9031 ± 0.0002 Å
• α: 90°
• β: 115.912 ± 0.001°
• γ: 90°
• Cell volume: 4659.87 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• 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: 0.0704
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No