Information card for entry 4323480

Structure parameters

• Common name: compound 11
• Formula: C9 H12 Bi I2 N
• Calculated formula: C9 H12 Bi I2 N
• 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: 7.9455 ± 0.0007 Å
• b: 19.3949 ± 0.0013 Å
• c: 8.6226 ± 0.0009 Å
• α: 90°
• β: 93.338 ± 0.009°
• γ: 90°
• Cell volume: 1326.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0575
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for all reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.0794
• Goodness-of-fit parameter for all reflections: 1.065
• Goodness-of-fit parameter for significantly intense reflections: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No