Information card for entry 4500808

Structure parameters

• Formula: C40 H44 Mg4 N8 O26.5
• Calculated formula: C40 H44 Mg4 N8 O26.504
• Title of publication: Synthesis and Structural Characterization of Magnesium Based Coordination Networks in Different Solvents
• Authors of publication: Banerjee, Debasis; Finkelstein, Jeffrey; Smirnov, A.; Forster, Paul M.; Borkowski, Lauren A.; Teat, Simon J.; Parise, John B.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 2572
• a: 13.7442 ± 0.0014 Å
• b: 14.2887 ± 0.0015 Å
• c: 14.1178 ± 0.0014 Å
• α: 90°
• β: 104.912 ± 0.002°
• γ: 90°
• Cell volume: 2679.2 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0766
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No