Information card for entry 4112143

Structure parameters

• Chemical name: (carbonyl)(η^4^-1,5-cycloctadiene) [1-methoxy-3-(4-methoxyphenyl)-2-propenylidene]rhodium(I) hexafluoroantimonate
• Formula: C20 H24 F6 O3 Rh Sb
• Calculated formula: C20 H24 F6 O3 Rh Sb
• SMILES: [Rh]123(=C(C=Cc4ccc(cc4)OC)OC)(C#[O])[CH]4=[CH]1CC[CH]2=[CH]3CC4.[Sb](F)(F)(F)(F)([F-])F
• Title of publication: New Fischer Carbene Complexes of Rhodium(I): Preparation and 2-Cyclopentenone Ring Synthesis by Annelation to Alkynes
• Authors of publication: José Barluenga; Rubén Vicente; Luis A. López; Eduardo Rubio; Miguel Tomás; Carmen Álvarez-Rúa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 470 - 471
• a: 8.7212 ± 0.0003 Å
• b: 9.4995 ± 0.0004 Å
• c: 15.4033 ± 0.0006 Å
• α: 100.643 ± 0.002°
• β: 96.326 ± 0.002°
• γ: 100.073 ± 0.002°
• Cell volume: 1221.37 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No