Information card for entry 4320521

Structure parameters

• Common name: [diep2Mg]2
• Formula: C40 H52 Mg2
• Calculated formula: C40 H52 Mg2
• SMILES: [Mg]1(c2c(cccc2CC)CC)[c]2(c(cccc2CC)CC)[Mg](c2c(cccc2CC)CC)[c]21c(cccc2CC)CC
• 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: 19.481 ± 0.002 Å
• b: 12.862 ± 0.001 Å
• c: 29.179 ± 0.002 Å
• α: 90°
• β: 108.56 ± 0.02°
• γ: 90°
• Cell volume: 6931 ± 1.3 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2825
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.2706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No