Information card for entry 7017385

Structure parameters

• Formula: C71.5 H96 Mg2 N6 O2
• Calculated formula: C68 H92 Mg2 N6 O2
• Title of publication: Magnesium hydrides and the dearomatisation of pyridine and quinoline derivatives.
• Authors of publication: Hill, Michael S.; Kociok-Köhn, Gabriele; Macdougall, Dugald J.; Mahon, Mary F.; Weetman, Catherine
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 46
• Pages of publication: 12500 - 12509
• a: 13.0076 ± 0.0002 Å
• b: 14.3714 ± 0.0002 Å
• c: 18.6803 ± 0.0003 Å
• α: 90°
• β: 94.299 ± 0.001°
• γ: 90°
• Cell volume: 3482.22 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0909
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.2008
• Weighted residual factors for all reflections included in the refinement: 0.2128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No