Information card for entry 4340243

Structure parameters

• Formula: C35 H33 Au Cl N2 O4 P
• Calculated formula: C35 H33 Au Cl N2 O4 P
• SMILES: [Au]([P](N(Cc1c2ccccc2cc2ccccc12)CCC)(c1ccccc1)c1ccccc1)[n]1ccccc1.Cl(=O)(=O)(=O)[O-]
• 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: 10.2098 ± 0.001 Å
• b: 23.903 ± 0.002 Å
• c: 13.1372 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3206.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No