Information card for entry 2201968

Structure parameters

• Chemical name: Hexaaquabis(4-hydroxyisophthalato)cobalt(II) tetrahydrate
• Formula: C16 H30 Co O20
• Calculated formula: C16 H30 Co O20
• SMILES: C(=O)(c1cc(C(=O)[O-])c(cc1)O)O.[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.C(=O)(c1cc(C(=O)[O-])c(cc1)O)O.O.O
• Title of publication: Hexaaquacobalt(II) bis(4-hydroxyisophthalate) tetrahydrate
• Authors of publication: Li, Xing; Bi, Wenhua; Yuan Daqiang; Zhou Youfu; Cao, Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: m294 - m296
• a: 7.1863 ± 0.0006 Å
• b: 8.5173 ± 0.0007 Å
• c: 9.8959 ± 0.0007 Å
• α: 92.088 ± 0.001°
• β: 91.424 ± 0.001°
• γ: 90.548 ± 0.001°
• Cell volume: 605.08 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes