Information card for entry 7215697

Structure parameters

• Formula: C12 H10 Mg N2 O5
• Calculated formula: C12 H8 Mg N2 O5
• Title of publication: Syntheses of two coordination polymers with rutile-type topology and the single-crystal-to-single-crystal transformation of Mg(ii) complex induced by methanol
• Authors of publication: He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 20
• Pages of publication: 4210
• a: 9.846 ± 0.0012 Å
• b: 12.8415 ± 0.0013 Å
• c: 10.9975 ± 0.0013 Å
• α: 90°
• β: 99.39 ± 0.012°
• γ: 90°
• Cell volume: 1371.9 ± 0.3 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: 0.0927
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1697
• Weighted residual factors for all reflections included in the refinement: 0.1923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No