Information card for entry 7105357

Structure parameters

• Formula: C43 H92 Au3 Cl2 F12 P3 Sb2
• Calculated formula: C43 H92 Au3 Cl2 F12 P3 Sb2
• SMILES: [C]1(=C(C(C)(C)C)[Au]1[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)([Au][P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Au][P](C(C)(C)C)(C(C)(C)C)C(C)(C)C.[Sb](F)([F-])([F-])(F)([F-])F.[Sb]([F-])([F-])(F)([F-])(F)F.ClCCl
• Title of publication: Cationic Au(I) alkyne complexes: synthesis, structure and reactivity.
• Authors of publication: Hooper, Thomas N; Green, Michael; Russell, Christopher A
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 13
• Pages of publication: 2313 - 2315
• a: 12.8426 ± 0.0003 Å
• b: 19.7153 ± 0.0006 Å
• c: 24.2222 ± 0.0006 Å
• α: 90°
• β: 98.093 ± 0.002°
• γ: 90°
• Cell volume: 6071.9 ± 0.3 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: 0.0493
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No