Information card for entry 4071050

Structure parameters

• Formula: C39 H45 F6 N O2 P3 Ru S2 Sb
• Calculated formula: C39 H45 F6 N O2 P3 Ru S2 Sb
• SMILES: C12P(c3ccccc3)(c3ccccc3)=NP(OCC)(OCC)=[S][Ru]345672([c]2([cH]3[cH]4[c]5([cH]6[cH]72)C(C)C)C)[S]=[P]1(c1ccccc1)c1ccccc1.[F-][Sb](F)(F)(F)(F)F
• 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: 11.3019 ± 0.0002 Å
• b: 12.332 ± 0.0002 Å
• c: 16.0514 ± 0.0003 Å
• α: 97.042 ± 0.001°
• β: 95.058 ± 0.001°
• γ: 90.731 ± 0.001°
• Cell volume: 2211.01 ± 0.07 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No