Information card for entry 7215698

Structure parameters

• Formula: C16 H24 Mg N2 O8
• Calculated formula: C16 H24 Mg N2 O8
• SMILES: C[OH][Mg](OC(=O)c1ccncc1)(OC(=O)c1ccncc1)([OH]C)([OH]C)[OH]C
• 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: 7.699 ± 0.003 Å
• b: 7.897 ± 0.003 Å
• c: 9.378 ± 0.003 Å
• α: 84.34 ± 0.03°
• β: 72.67 ± 0.03°
• γ: 64.01 ± 0.04°
• Cell volume: 488.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1756
• Weighted residual factors for all reflections included in the refinement: 0.2124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No