Information card for entry 4083450

Structure parameters

• Formula: C47 H48 Au Cl O P2
• Calculated formula: C47 H48 Au Cl O P2
• SMILES: [Au]1(Cl)[P](c2cc(cc(c2)C)C)(c2cc(cc(c2)C)C)c2c3Oc4c([P]1(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)cccc4C(c3ccc2)(C)C
• Title of publication: Gold(I) Hydride Intermediate in Catalysis: Dehydrogenative Alcohol Silylation Catalyzed by Gold(I) Complex
• Authors of publication: Ito, Hajime; Saito, Tomohisa; Miyahara, Takahiro; Zhong, Chongmin; Sawamura, Masaya
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 16
• Pages of publication: 4829
• a: 22.885 ± 0.002 Å
• b: 16.462 ± 0.002 Å
• c: 23.267 ± 0.003 Å
• α: 90 ± 0.0004°
• β: 107.67 ± 0.0005°
• γ: 90 ± 0.0004°
• Cell volume: 8351.9 ± 1.7 ų
• Cell temperature: 150.1 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: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No