Information card for entry 7014190

Structure parameters

• Formula: C21 H21 Au I P
• Calculated formula: C21 H21 Au I P
• SMILES: [Au](I)[P](c1c(cccc1)C)(c1c(cccc1)C)c1c(cccc1)C
• Title of publication: Governing the oxidative addition of iodine to gold(I) complexes by ligand tuning.
• Authors of publication: Schneider, Daniel; Schier, Annette; Schmidbaur, Hubert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 13
• Pages of publication: 1995 - 2005
• a: 14.0151 ± 0.0002 Å
• b: 20.1112 ± 0.0002 Å
• c: 28.2688 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7967.86 ± 0.18 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No