Information card for entry 2223798

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[[3-(2-pyridyl)-1<i>H</i>-pyrazole]manganese(II)]- μ-oxalato] sesquihydrate]
• Formula: C10 H10 Mn N3 O5.5
• Calculated formula: C10 H10 Mn N3 O5.5
• SMILES: [Mn]12([n]3ccccc3c3cc[nH][n]13)OC(=[O]1)C(=[O]2)O[Mn]123([n]1ccccc1c1cc[nH][n]13)OC(=O)C(=O)O2.O.O.O
• Title of publication: <i>catena</i>-Poly[[[[3-(2-pyridyl)-1<i>H</i>-pyrazole]manganese(II)]-μ-oxalato] sesquihydrate]
• Authors of publication: An, Zhe; Zhu, Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1480
• a: 29.46 ± 0.008 Å
• b: 9.236 ± 0.003 Å
• c: 9.875 ± 0.003 Å
• α: 90°
• β: 102.706 ± 0.005°
• γ: 90°
• Cell volume: 2621.1 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0359
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes