Information card for entry 7007029

Structure parameters

• Formula: C42 H38 As2 Au2 O4
• Calculated formula: C42 H38 As2 Au2 O4
• SMILES: c12ccc(cc1[Au]1([Au](OC(=O)C)([As]2(c2ccccc2)c2ccccc2)c2c(ccc(c2)C)[As]1(c1ccccc1)c1ccccc1)OC(=O)C)C
• Title of publication: Synthesis, structures and reactions of cyclometallated gold complexes containing (2-diphenylarsino-n-methyl)phenyl (n = 5, 6).
• Authors of publication: Kitadai, Kunihiko; Takahashi, Masashi; Takeda, Masuo; Bhargava, Suresh K.; Privér, Steven H; Bennett, Martin A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 21
• Pages of publication: 2560 - 2571
• a: 18.9303 ± 0.0012 Å
• b: 10.8309 ± 0.0007 Å
• c: 19.586 ± 0.0012 Å
• α: 90°
• β: 103.124 ± 0.001°
• γ: 90°
• Cell volume: 3910.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No