Information card for entry 4500805

Structure parameters

• Formula: C33 H37 Mg3 N7 O16
• Calculated formula: C33 H37 Mg3 N7 O16
• 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: 12.3475 ± 0.0005 Å
• b: 11.1929 ± 0.0005 Å
• c: 28.6734 ± 0.0012 Å
• α: 90°
• β: 98.816 ± 0.001°
• γ: 90°
• Cell volume: 3916 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0769
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No