Information card for entry 4087415

Structure parameters

• Formula: C24 H21 Au Cl O4 P
• Calculated formula: C24 H21 Au Cl O4 P
• SMILES: [Au](Cl)/C(=C(\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC)C(=O)OC
• Title of publication: Regioselective Cis Insertion of DMAD into Au‒P Bonds: Effect of Auxiliary Ligands on the Reaction Mechanism
• Authors of publication: Kuniyasu, Hitoshi; Nakajima, Takuya; Tamaki, Takashi; Iwasaki, Takanori; Kambe, Nobuaki
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1373
• a: 16.0041 ± 0.0011 Å
• b: 7.8212 ± 0.0004 Å
• c: 19.7043 ± 0.0014 Å
• α: 90°
• β: 111.459 ± 0.003°
• γ: 90°
• Cell volume: 2295.4 ± 0.3 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.2795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No