Information card for entry 7106279

Structure parameters

• Formula: C22 H40 Cl2 Mg2 N6 O2
• Calculated formula: C22 H40 Cl2 Mg2 N6 O2
• Title of publication: Bicyclic guanidinate compounds of magnesium and their activity as pre-catalysts in the Tishchenko reaction
• Authors of publication: Benjamin M. Day; Natalie E. Mansfield; Martyn P. Coles; Peter B. Hitchcock
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 4995
• a: 15.4059 ± 0.0019 Å
• b: 9.8558 ± 0.0014 Å
• c: 18.998 ± 0.002 Å
• α: 90°
• β: 109.495 ± 0.007°
• γ: 90°
• Cell volume: 2719.2 ± 0.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1909
• Weighted residual factors for all reflections included in the refinement: 0.2047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No