Information card for entry 2020775

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis(dimethylformamide-κ<i>O</i>)magnesium(II)]bis[μ-<i>N</i>-(3-carboxyphenyl)-<i>N</i>'-(3-carboxylatophenyl)naphthalene-1,8:4,5-tetracarboximide-κ^2^<i>O</i>:<i>O</i>']]
• Formula: C62 H40 Mg N6 O18
• Calculated formula: C62 H40 Mg N6 O18
• SMILES: [Mg]1([O]=CN(C)C)([O]=CN(C)C)([O]=C(O)c2cccc(c2)N2C(=O)c3c4c(C2=O)ccc2c4c(cc3)C(=O)N(C2=O)c2cccc(c2)C(=O)O[Mg]([O]=C(O)c2cccc(c2)N2C(=O)c3c4c(C2=O)ccc2c4c(cc3)C(=O)N(C2=O)c2cccc(c2)C(O1)=O)([O]=CN(C)C)[O]=CN(C)C)([O]=C(O)c1cccc(c1)N1C(=O)c2c3c(C1=O)ccc1c3c(cc2)C(=O)N(C1=O)c1cccc(c1)C(=O)[O-])OC(=[O])c1cccc(c1)N1C(=O)c2c3c(C1=O)ccc1c3c(cc2)C(=O)N(C1=O)c1cccc(c1)C(=O)O
• Title of publication: Synthesis and characterization of a photochromic magnesium(II) coordination polymer based on a naphthalene diimide ligand
• Authors of publication: Liu, Jian-Jun; Liu, Teng; Huang, Chang-Cang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 6
• Pages of publication: 437 - 441
• a: 9.2595 ± 0.0004 Å
• b: 10.2711 ± 0.0003 Å
• c: 16.0049 ± 0.0005 Å
• α: 96.056 ± 0.003°
• β: 92.679 ± 0.003°
• γ: 115.714 ± 0.004°
• Cell volume: 1356.47 ± 0.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0747
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes