Information card for entry 4071051

Structure parameters

• Formula: C81 H80 Cl4 N6 P2 Ru S
• Calculated formula: C81 H80 Cl4 N6 P2 Ru S
• 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: 13.2605 ± 0.0002 Å
• b: 31.3082 ± 0.0003 Å
• c: 17.3833 ± 0.0002 Å
• α: 90°
• β: 91.241 ± 0.001°
• γ: 90°
• Cell volume: 7215.2 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0686
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No