Information card for entry 7020646

Structure parameters

• Formula: C12 H10 Mg N2 O5
• Calculated formula: C12 H8 Mg N2 O5
• Title of publication: An open-framework rutile-type magnesium isonicotinate and its structural analogue with an anatase topology.
• Authors of publication: Liu, Tingzhi; Luo, Daibing; Xu, Dingguo; Zeng, Hongmei; Lin, Zhien
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 2
• Pages of publication: 368 - 371
• a: 9.8836 ± 0.0004 Å
• b: 12.8681 ± 0.0004 Å
• c: 10.9817 ± 0.0004 Å
• α: 90°
• β: 99.384 ± 0.003°
• γ: 90°
• Cell volume: 1378 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.2689
• Weighted residual factors for all reflections included in the refinement: 0.2805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No