Information card for entry 2016958

Structure parameters

• Chemical name: <i>catena</i>-poly[[[aquatripyridinecobalt(II)]-μ-tetrachloroterephthalato] pyridine solvate]
• Formula: C28 H22 Cl4 Co N4 O5
• Calculated formula: C28 H22 Cl4 Co N4 O5
• SMILES: C([O])(c1c(c(c(c(c1Cl)Cl)C(=O)O[Co]([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)(OC(=O)c1c(c(c(c(c1Cl)Cl)C(=O)O[Co]([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)([O])[OH2])Cl)Cl)[OH2])Cl)Cl)=O.c1ccccn1.c1ccccn1
• 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: 8.7128 ± 0.001 Å
• b: 17.8408 ± 0.0017 Å
• c: 21.227 ± 0.002 Å
• α: 67.879 ± 0.001°
• β: 79.839 ± 0.002°
• γ: 84.962 ± 0.001°
• Cell volume: 3007.9 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes