Information card for entry 4500807

Structure parameters

• Formula: C7 H3 Mg N O5
• Calculated formula: C7 H3 Mg N O5
• 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: 11.4799 ± 0.0014 Å
• b: 11.4799 ± 0.0014 Å
• c: 14.735 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1681.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 178
• Hermann-Mauguin space group symbol: P 61 2 2
• Hall space group symbol: P 61 2 (0 0 5)
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No