Information card for entry 7021905

Structure parameters

• Formula: C10 H14 Mg2 N4 O13
• Calculated formula: C10 H14 Mg2 N4 O13
• Title of publication: A magnesium-based multifunctional metal-organic framework: synthesis, thermally induced structural variation, selective gas adsorption, photoluminescence and heterogeneous catalytic study.
• Authors of publication: Saha, Debraj; Maity, Tanmoy; Das, Soma; Koner, Subratanath
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 38
• Pages of publication: 13912 - 13922
• a: 12.5972 ± 0.0003 Å
• b: 10.0305 ± 0.0003 Å
• c: 13.8663 ± 0.0004 Å
• α: 90°
• β: 94.483 ± 0.001°
• γ: 90°
• Cell volume: 1746.73 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No