Information card for entry 2214519

Structure parameters

• Chemical name: catena-Poly[[aqua(pyrazine-2-carboxylato-κ^2^N^1^,O)manganese(II)]- μ-pyrazine-2-carboxylato-κ^3^-κ^2^N^1^,O:N^4^]
• Formula: C10 H8 Mn N4 O5
• Calculated formula: C10 H8 Mn N4 O5
• SMILES: [Mn]12([n]3c(C(=O)O2)cncc3)([n]2c(C(=O)O1)cncc2)([OH2])[n]1cc[n]2[Mn]3([n]4c(C(=O)O3)cncc4)([OH2])OC(=O)c2c1
• Title of publication: <i>catena</i>-Poly[[aqua(pyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)manganese(II)]-μ-pyrazine-2-carboxylato-κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^4^]
• Authors of publication: Gao, Yu-Xiang; Wang, Li-Bin; Niu, Yan-Ling; Hao, Lu-Jiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2185 - m2185
• a: 7.722 ± 0.001 Å
• b: 10.0002 ± 0.0001 Å
• c: 14.8836 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1149.33 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes