Information card for entry 2238580

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[2-(1,3-thiazol-4-yl)-1<i>H</i>-benzimidazole]manganese(II)]-μ-oxalato]
• Formula: C12 H7 Mn N3 O4 S
• Calculated formula: C12 H7 Mn N3 O4 S
• SMILES: [Mn]12([n]3c(c4[n]2c2c([nH]4)cccc2)csc3)[O]=C2C(O1)=[O][Mn]13(O2)(OC(=O)C(=O)O3)[n]2c(c3[n]1c1c([nH]3)cccc1)csc2
• Title of publication: <i>catena</i>-Poly[[[2-(1,3-thiazol-4-yl)-1<i>H</i>-benzimidazole]manganese(II)]-μ-oxalato]
• Authors of publication: Liang, Peng; Huang, Li-Ning; Yin, Xian-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: m522
• a: 9.374 ± 0.002 Å
• b: 17.834 ± 0.005 Å
• c: 8.926 ± 0.002 Å
• α: 90°
• β: 113.5 ± 0.003°
• γ: 90°
• Cell volume: 1368.4 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0269
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes