Information card for entry 7007040

Structure parameters

• Formula: C19 H16 As I
• Calculated formula: C19 H16 As I
• SMILES: [As](c1c(c(ccc1)C)I)(c1ccccc1)c1ccccc1
• 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: 9.3408 ± 0.0006 Å
• b: 9.8564 ± 0.0006 Å
• c: 11.1989 ± 0.0007 Å
• α: 112.613 ± 0.001°
• β: 111.245 ± 0.001°
• γ: 97.283 ± 0.001°
• Cell volume: 843.61 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No