Information card for entry 7019199

Structure parameters

• Formula: C7 H5 Mg N O5
• Calculated formula: C7 H5 Mg N O5
• Title of publication: Porous magnesium carboxylate framework: synthesis, X-ray crystal structure, gas adsorption property and heterogeneous catalytic aldol condensation reaction.
• Authors of publication: Saha, Debraj; Sen, Rupam; Maity, Tanmoy; Koner, Subratanath
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 24
• Pages of publication: 7399 - 7408
• a: 8.7856 ± 0.0002 Å
• b: 10.2316 ± 0.0002 Å
• c: 8.5553 ± 0.0001 Å
• α: 90°
• β: 97.107 ± 0.001°
• γ: 90°
• Cell volume: 763.13 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0313
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No