Information card for entry 4113903

Structure parameters

• Common name: 2.Et2O
• Formula: C42 H38 Au2 Br2 O P2
• Calculated formula: C42 H38 Au2 Br2 O P2
• SMILES: [Au](Br)[P](c1c2ccccc2c([P]([Au]Br)(c2ccccc2)c2ccccc2)c2ccccc12)(c1ccccc1)c1ccccc1.O(CC)CC
• Title of publication: First Examples of AuI-X-AgI Halonium Cations (X = Cl and Br)
• Authors of publication: Ke Zhang; Janardhana Prabhavathy; John H. K. Yip; Lip Lin Koh; Geok Kheng Tan; Jagadese J. Vittal
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 8452 - 8453
• a: 13.7116 ± 0.0008 Å
• b: 17.2149 ± 0.001 Å
• c: 17.5732 ± 0.001 Å
• α: 90°
• β: 104.468 ± 0.001°
• γ: 90°
• Cell volume: 4016.5 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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 all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No