Information card for entry 7007027

Structure parameters

• Formula: C38 H32 As2 Au2 Br2
• Calculated formula: C38 H32 As2 Au2 Br2
• SMILES: c12ccc(cc1[Au]1([Au]([As]2(c2ccccc2)c2ccccc2)(Br)c2c(ccc(c2)C)[As]1(c1ccccc1)c1ccccc1)Br)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: 17.6413 ± 0.0012 Å
• b: 12.2384 ± 0.0008 Å
• c: 16.736 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3613.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No