Information card for entry 4060235

Structure parameters

• Formula: C5 H7 O2 Tl
• Calculated formula: C5 H7 O2 Tl
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 11.3256 ± 0.0004 Å
• b: 20.6199 ± 0.0005 Å
• c: 5.3836 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1257.25 ± 0.07 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No