Information card for entry 2210442

Structure parameters

• Common name: Polymeric tetraaquacerium(III)-μ~4~-glutarato chloride dihydrate
• Chemical name: Poly[[tetraaqua-μ~4~-glutarato-cerium(III)] chloride dihydrate]
• Formula: C5 H18 Ce Cl O10
• Calculated formula: C5 H18 Ce Cl O10
• SMILES: [Ce]1234([OH2])([OH2])([OH2])([OH2])[O]5C(CCCC([O-])=O)=[O][Ce]65([O]=C(O1)CCCC1=[O][Ce]5([O]1[Ce]([OH2])([OH2])([OH2])([OH2])[O]=C(O5)CCCC(=[O]3)[O]26)([OH2])([OH2])([OH2])[OH2])([O]=C(O4)CCCC(=O)[O-])([OH2])([OH2])([OH2])[OH2].[Cl-].O.O.[Cl-].O.O.[Cl-].O.O.[Cl-].O.O
• Title of publication: Poly[[tetraaqua-μ~4~-glutarato-cerium(III)] chloride dihydrate]
• Authors of publication: Rahahlia, N.; Benmerad, B.; Guehria-Laidoudi, A.; Dahaoui, S.; Lecomte, C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2145 - m2147
• a: 7.932 ± 0.005 Å
• b: 8.803 ± 0.005 Å
• c: 10.509 ± 0.005 Å
• α: 110.5 ± 0.005°
• β: 95.531 ± 0.005°
• γ: 103.439 ± 0.005°
• Cell volume: 655.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.02
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.034
• 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