Information card for entry 2215863

Structure parameters

• Chemical name: catena-Poly[[cobalt(II)-μ-[N,N'-1,3-bis(imidazol-1-ylmethyl)benzene]- κ^2^N^3^:N^3'^-μ-(5-carboxybenzene-1,3-dicarboxylato)-κ^2^O^1^:O^3^] monohydrate]
• Formula: C23 H20 Co N4 O7
• Calculated formula: C23 H20 Co N4 O7
• SMILES: [Co]1([n]2cn(Cc3cc(ccc3)Cn3cncc3)cc2)(OC(=O)c2cc(cc(c2)C(=O)[O-])C(=O)O)[n]2cn(Cc3cc(ccc3)Cn3c[n]([Co]OC(=O)c4cc(cc(c4)C(=O)O1)C(=O)O)cc3)cc2.O.O
• Title of publication: <i>catena</i>-Poly[[cobalt(II)-μ-[<i>N</i>,<i>N</i>'-1,3-bis(imidazol-1-ylmethyl)benzene]-κ^2^<i>N</i>^3^:<i>N</i>^3'^-μ-(5-carboxybenzene-1,3-dicarboxylato)-κ^2^<i>O</i>^1^:<i>O</i>^3^] monohydrate]
• Authors of publication: Ying-Ying Liu; Jian-Fang Ma; Guo-Hua Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2703 - m2704
• a: 7.8535 ± 0.0004 Å
• b: 16.5308 ± 0.0007 Å
• c: 16.7344 ± 0.0008 Å
• α: 90°
• β: 96.35 ± 0.001°
• γ: 90°
• Cell volume: 2159.21 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes