Information card for entry 8100366

Structure parameters

• Chemical name: hexamethanolo-iron diiodide
• Formula: C6 H24 Fe I2 O6
• Calculated formula: C6 H24 Fe I2 O6
• SMILES: [Fe]([OH]C)([OH]C)([OH]C)([OH]C)([OH]C)([OH]C).[I-].[I-]
• Title of publication: Crystal Structure of Hexamethanolo-iron diiodide, Fe(HOCH~3~)~6~I~2~
• Authors of publication: Harms, Klaus; Biesemeier, Frank; Müller, Ulrich
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 2
• Pages of publication: 164 - 164
• a: 8.2947 ± 0.0008 Å
• b: 8.2947 ± 0.0008 Å
• c: 7.0884 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 422.36 ± 0.09 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.27
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No