Information card for entry 1504381

Structure parameters

• Common name: diiodomethane
• Chemical name: diiodomethane, polymorph II
• Formula: C H2 I2
• Calculated formula: C H2 I2
• SMILES: ICI
• Title of publication: Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2.
• Authors of publication: Podsiadło, Marcin; Katrusiak, Andrzej
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2008
• Journal volume: 112
• Journal issue: 17
• Pages of publication: 5355 - 5362
• a: 7.1819 ± 0.0014 Å
• b: 12.912 ± 0.003 Å
• c: 4.693 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 435.19 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Ambient diffracton pressure: 620000 kPa
• Number of distinct elements: 3
• Space group number: 42
• Hermann-Mauguin space group symbol: F m m 2
• Hall space group symbol: F 2 -2
• Residual factor for all reflections: 0.0161
• Residual factor for significantly intense reflections: 0.0154
• Weighted residual factors for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections included in the refinement: 0.0372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No