Information card for entry 2221684

Structure parameters

• Chemical name: (Biphenyl-2-yl)bromidobis(2-methyltetrahydrofuran-κ<i>O</i>)magnesium(II)
• Formula: C22 H29 Br Mg O2
• Calculated formula: C22 H29 Br Mg O2
• SMILES: [Mg](Br)([O]1CCCC1C)([O]1CCCC1C)c1c(cccc1)c1ccccc1
• Title of publication: (Biphenyl-2-yl)bromidobis(2-methyltetrahydrofuran-κ<i>O</i>)magnesium(II)
• Authors of publication: Nordschild, Simon; Wohlgemuth, D.; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m493
• a: 11.6887 ± 0.0005 Å
• b: 16.8061 ± 0.0009 Å
• c: 11.7888 ± 0.0005 Å
• α: 90°
• β: 103.757 ± 0.004°
• γ: 90°
• Cell volume: 2249.38 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes