Information card for entry 4320522

Structure parameters

• Formula: C12 H24 I2 Mg O3
• Calculated formula: C12 H24 I2 Mg O3
• SMILES: C1CCC[O]1[Mg](I)([O]1CCCC1)(I)[O]1CCCC1
• Title of publication: Synthesis and Characterization of an Unsolvated Dimeric Diarylmagnesium Compound and Its Magnesium Iodide Byproducts
• Authors of publication: Rudolf J. Wehmschulte; Brendan Twamley; Masood A. Khan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6004 - 6008
• a: 12.234 ± 0.004 Å
• b: 12.6 ± 0.004 Å
• c: 12.395 ± 0.003 Å
• α: 90°
• β: 112.67 ± 0.02°
• γ: 90°
• Cell volume: 1763.1 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections: 0.1538
• Weighted residual factors for significantly intense reflections: 0.134
• Goodness-of-fit parameter for all reflections: 1.048
• Goodness-of-fit parameter for significantly intense reflections: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No