Information card for entry 2100678

Structure parameters

• Common name: methylene iodide
• Chemical name: Diiodomethane
• Formula: C H2 I2
• Calculated formula: C H2 I2
• SMILES: C(I)I
• Title of publication: Molecular interactions in crystalline dibromomethane and diiodomethane, and the stabilities of their high-pressure and low-temperature phases
• Authors of publication: Marcin Podsiad{λ}o; Kamil F. Dziubek; Marek Szafranski; Andrzej Katrusiak
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: 1090 - 1098
• a: 7.411 ± 0.003 Å
• b: 13.137 ± 0.004 Å
• c: 4.7942 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 466.8 ± 0.3 ų
• Cell temperature: 2702 K
• Ambient diffraction temperature: 293 ± 2 K
• 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: 0.0653
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1738
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes