Information card for entry 7031586

Structure parameters

• Formula: C7 H7 Mg N O7
• Calculated formula: C7 H7 Mg N O7
• Title of publication: Alkaline earth metal-based metal-organic framework: hydrothermal synthesis, X-ray structure and heterogeneously catalyzed Claisen-Schmidt reaction.
• Authors of publication: Saha, Debraj; Maity, Tanmoy; Koner, Subratanath
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 34
• Pages of publication: 13006
• a: 4.746 ± 0.0001 Å
• b: 21.0254 ± 0.0006 Å
• c: 8.6046 ± 0.0002 Å
• α: 90°
• β: 91.279 ± 0.001°
• γ: 90°
• Cell volume: 858.41 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0342
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No