Information card for entry 7020097

Structure parameters

• Formula: C52 H86 Br2 Mg2 N4 O2
• Calculated formula: C52 H86 Br2 Mg2 N4 O2
• Title of publication: Synthetic and catalytic intermediates in a magnesium promoted Tishchenko reaction.
• Authors of publication: Day, Benjamin M.; Knowelden, William; Coles, Martyn P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 36
• Pages of publication: 10930 - 10933
• a: 11.5449 ± 0.0004 Å
• b: 18.3542 ± 0.0005 Å
• c: 13.3608 ± 0.0004 Å
• α: 90°
• β: 100.793 ± 0.002°
• γ: 90°
• Cell volume: 2781.04 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0793
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No