Information card for entry 4323478

Structure parameters

• Common name: compound 8
• Formula: C12 H12 As Cl2 N
• Calculated formula: C12 H12 As Cl2 N
• SMILES: [As]1(Cl)(Cl)[N](c2cccc3cccc1c23)(C)C
• Title of publication: Synthesis and Structures of Intramolecularly Base-Coordinated Group 15 Aryl Halides
• Authors of publication: Claire J. Carmalt; Alan H. Cowley; Robert D. Culp; Richard A. Jones; Smuruthi Kamepalli; Nicholas C. Norman
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 2770 - 2776
• a: 9.713 ± 0.003 Å
• b: 9.8535 ± 0.0014 Å
• c: 13.31 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1273.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0957
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections: 0.1819
• Weighted residual factors for significantly intense reflections: 0.1588
• Goodness-of-fit parameter for all reflections: 1.013
• Goodness-of-fit parameter for significantly intense reflections: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No