Information card for entry 7212746

Structure parameters

• Formula: C21 H21 As I2
• Calculated formula: C21 H21 As I2
• SMILES: I[I][As](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Structural relationships between o-, m- and p-tolyl substituted R3EI2 (E = As, P) and [(R3E)AuX] (E = As, P; X = Cl, Br, I)
• Authors of publication: Barnes, Nicholas A.; Flower, Kevin R.; Godfrey, Stephen M.; Hurst, Paul A.; Khan, Rana Z.; Pritchard, Robin G.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 4240
• a: 11.619 ± 0.0003 Å
• b: 12.2125 ± 0.0003 Å
• c: 18.4827 ± 0.0005 Å
• α: 90°
• β: 126.564 ± 0.001°
• γ: 90°
• Cell volume: 2106.48 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.2018
• Weighted residual factors for all reflections included in the refinement: 0.238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No