Information card for entry 2234531

Structure parameters

• Chemical name: Tetraaquabis[3-(pyridin-4-yl)benzoato-κ<i>N</i>]manganese(II)
• Formula: C24 H24 Mn N2 O8
• Calculated formula: C24 H24 Mn N2 O8
• SMILES: C(=O)(c1cc(ccc1)c1cc[n](cc1)[Mn]([OH2])([n]1ccc(c2cc(C(=O)[O-])ccc2)cc1)([OH2])([OH2])[OH2])[O-]
• Title of publication: Tetraaquabis[3-(pyridin-4-yl)benzoato-κ<i>N</i>]manganese(II)
• Authors of publication: Gao, Ru-Qin; Li, Guo-Ting
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m562
• a: 24.935 ± 0.003 Å
• b: 7.1911 ± 0.0006 Å
• c: 13.9283 ± 0.0016 Å
• α: 90°
• β: 112.199 ± 0.013°
• γ: 90°
• Cell volume: 2312.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes