Information card for entry 4340241

Structure parameters

• Formula: C30 H28 Au Cl N P
• Calculated formula: C30 H28 Au Cl N P
• SMILES: [Au](Cl)[P](N(CCC)Cc1c2ccccc2cc2ccccc12)(c1ccccc1)c1ccccc1
• Title of publication: Gold(I) eta2-arene complexes.
• Authors of publication: Li, Qing-Shan; Wan, Chong-Qing; Zou, Ru-Yi; Xu, Feng-Bo; Song, Hai-Bin; Wan, Xiang-Jian; Zhang, Zheng-Zhi
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 1888 - 1890
• a: 9.595 ± 0.003 Å
• b: 16.081 ± 0.005 Å
• c: 17.189 ± 0.005 Å
• α: 90°
• β: 92.575 ± 0.005°
• γ: 90°
• Cell volume: 2649.5 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1102
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No