Information card for entry 3000278

Structure parameters

• Chemical name: 4,7-diiodo-2-methylbenzothiazole
• Formula: C8 H5 I2 N S
• Authors of publication: Erik Rakovský; Hrobárik, Peter
• Journal of publication: To be published
• a: 13.169 ± 0.0006 Å
• b: 4.2536 ± 0.0003 Å
• c: 19.0445 ± 0.0009 Å
• α: 90°
• β: 102.592 ± 0.004°
• γ: 90°
• Cell volume: 1041.13 ± 0.1 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 5
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.56083 Å
• Diffraction radiation type: AgKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No