Information card for entry 7007039

Structure parameters

• Formula: C38 H33 As2 Au2 Br
• Calculated formula: C38 H33 As2 Au2 Br
• SMILES: [Au]([As](c1c([Au][As](c2cc(ccc2)C)(c2ccccc2)c2ccccc2)c(ccc1)C)(c1ccccc1)c1ccccc1)Br
• 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: 8.9939 ± 0.0007 Å
• b: 15.7013 ± 0.0013 Å
• c: 25.199 ± 0.002 Å
• α: 90°
• β: 96.491 ± 0.002°
• γ: 90°
• Cell volume: 3535.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0784
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No