Information card for entry 2206592

Structure parameters

• Chemical name: Bis(imidazolium) diaquabis(pyridine-2,5-dicarboxylato-κ^2^N,O)cobaltate(II) tetrahydrate
• Formula: C20 H28 Co N6 O14
• Calculated formula: C20 H28 Co N6 O14
• SMILES: [Co]12([n]3c(ccc(c3)C(=O)[O-])C(=O)O1)([n]1c(ccc(c1)C(=O)[O-])C(=O)O2)([OH2])[OH2].c1[nH]cc[nH+]1.c1[nH]cc[nH+]1.O.O.O.O
• Title of publication: Bis(imidazolium) diaquabis(pyridine-2,5-dicarboxylato-κ^2^<i>N</i>,<i>O</i>)cobaltate(II) tetrahydrate
• Authors of publication: Deng, Qian-Jun; Liu, Zhuang-Tian; Zeng, Ming-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1514 - m1516
• a: 8.844 ± 0.005 Å
• b: 9.062 ± 0.004 Å
• c: 9.635 ± 0.004 Å
• α: 97.7 ± 0.03°
• β: 116.8 ± 0.03°
• γ: 93.26 ± 0.03°
• Cell volume: 677 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes