Information card for entry 2016959

Structure parameters

• Chemical name: <i>catena</i>-poly[[[diaquadipyridinecobalt(II)]-μ-tetrachloroterephthalato] 1,4-dioxane trihydrate]
• Formula: C22 H28 Cl4 Co N2 O11
• Calculated formula: C22 H28 Cl4 Co N2 O11
• SMILES: [Co]([n]1ccccc1)([n]1ccccc1)([OH2])([OH2])(OC(=O)c1c(c(c(C(=O)[O-])c(c1Cl)Cl)Cl)Cl)OC(=O)c1c(c(c(C(=O)O[Co]([n]2ccccc2)([n]2ccccc2)([OH2])[OH2])c(c1Cl)Cl)Cl)Cl.C1COCCO1.O.O.O.C1COCCO1.O.O.O
• Title of publication: Influence of solvent on the structures of two one-dimensional cobalt(II) coordination polymers with tetrachloroterephthalate
• Authors of publication: Fang, Yong-Qin; Lu, Ming; Lu, Chun-Xu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m86 - m90
• a: 21.4257 ± 0.0019 Å
• b: 8.6567 ± 0.0008 Å
• c: 33.537 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6220.3 ± 1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes