Information card for entry 2216666

Structure parameters

• Chemical name: catena-Poly[[aqua(4,4'-bipyridine-κN)manganese(II)]-μ-imidazole-4,5- dicarboxylato-κ^4^N^3^,O^4^:O^4'^,O^5^]
• Formula: C15 H12 Mn N4 O5
• Calculated formula: C15 H12 Mn N4 O5
• SMILES: [Mn]12([n]3c[nH]c(c3C(=O)O1)C(=O)[O-])([n]1ccc(cc1)c1ccncc1)([OH2])[O]=C1c3c(C(=O)O2)[nH]c[n]3[Mn]([n]2ccc(cc2)c2ccncc2)(O1)[OH2]
• Title of publication: <i>catena</i>-Poly[[aqua(4,4'-bipyridine-κ<i>N</i>)manganese(II)]-μ-imidazole-4,5-dicarboxylato-κ^4^<i>N</i>^3^,<i>O</i>^4^:<i>O</i>^4'^,<i>O</i>^5^]
• Authors of publication: Chao Qin; En-Bo Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2876 - m2876
• a: 14.051 ± 0.003 Å
• b: 8.2084 ± 0.0016 Å
• c: 13.979 ± 0.003 Å
• α: 90°
• β: 103.8 ± 0.03°
• γ: 90°
• Cell volume: 1565.7 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0324
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes