Information card for entry 2208096

Structure parameters

• Chemical name: Bis(2-anilinobenzoato-κO)diaqua(2,2'-diamino-4,4'-bi-1,3-thiazole- κ^2^N^1^,N^1'^)magnesium(II)
• Formula: C32 H30 Mg N6 O6 S2
• Calculated formula: C32 H30 Mg N6 O6 S2
• SMILES: [Mg]1([n]2c(csc2N)c2[n]1c(sc2)N)([OH2])([OH2])(OC(=O)c1c(Nc2ccccc2)cccc1)OC(=O)c1c(Nc2ccccc2)cccc1
• Title of publication: Bis(2-anilinobenzoato-κ<i>O</i>)diaqua(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>^1^,<i>N</i>^1'^)magnesium(II)
• Authors of publication: Bing-Xin Liu; Jian-Yong Yu; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m231 - m232
• a: 14.0151 ± 0.0003 Å
• b: 19.8832 ± 0.0004 Å
• c: 12.0345 ± 0.0003 Å
• α: 90°
• β: 98.32 ± 0.0011°
• γ: 90°
• Cell volume: 3318.3 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.123
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes