Information card for entry 7202135

Structure parameters

• Common name: diiodomethane, polymorph II
• Chemical name: diiodomethane, polymorph II
• Formula: C H2 I2
• Calculated formula: C H2 I2
• SMILES: ICI
• Title of publication: Isostructural relations in dihalomethanes and disproportionation of bromoiodomethane
• Authors of publication: Podsiadło, Marcin; Katrusiak, Andrzej
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 1436
• a: 7.0153 ± 0.0014 Å
• b: 12.599 ± 0.003 Å
• c: 4.5877 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 405.49 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Ambient diffracton pressure: 800000 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: 0.0461
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No