Information card for entry 4080354

Structure parameters

• Formula: C31 H28 Au Cl F9 O3 P Ru S
• Calculated formula: C31 H28 Au Cl F9 O3 P Ru S
• SMILES: [Au](Cl)[P]([c]12[cH]3[Ru]456789%101([cH]3[cH]4[cH]5[cH]26)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Gold Compounds Anchored to a Metalated Arene Scaffold: Synthesis, X-ray Molecular Structures, and Cycloisomerization of Enyne
• Authors of publication: Dubarle-Offner, Julien; Barbazanges, Marion; Augé Mylène; Desmarets, Christophe; Moussa, Jamal; Axet, M. Rosa; Ollivier, Cyril; Aubert, Corinne; Fensterbank, Louis; Gandon, Vincent; Malacria, Max; Gontard, Geoffrey; Amouri, Hani
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1665
• a: 8.8271 ± 0.0002 Å
• b: 34.611 ± 0.0009 Å
• c: 11.2302 ± 0.0003 Å
• α: 90°
• β: 98.165 ± 0.001°
• γ: 90°
• Cell volume: 3396.21 ± 0.15 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 9
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No