Information card for entry 2213242

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[triaqua(4,4'-bipyridine N,N'-dioxide-κO)dichloridocerium(III)]-<i>μ</i>~2~-4,4'-bipyridine N,N'-dioxide-κ^2^O:O'] chloride monohydrate]
• Formula: C20 H24 Ce Cl3 N4 O8
• Calculated formula: C20 H24 Ce Cl3 N4 O8
• SMILES: [Ce](Cl)(Cl)([O]=n1ccc(cc1)c1ccn(=O)cc1)([O]=n1ccc(cc1)c1ccn(=O)cc1)([OH2])([OH2])([OH2])[O]=n1ccc(c2ccn(=[O][Ce](Cl)(Cl)([O]=n3ccc(cc3)c3ccn(=O)cc3)([OH2])([OH2])[OH2])cc2)cc1.[Cl-].O.[Cl-].O
• Title of publication: <i>catena</i>-Poly[[[triaqua(4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide-κ<i>O</i>)dichloridocerium(III)]-<i>{μ</i>}~2~-4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide-κ^2^<i>O</i>:<i>O</i>'] chloride monohydrate]
• Authors of publication: Yuan, Da-Qiang; Lian, Fen-Yan; Hong, Mao-Chun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1430 - m1430
• a: 8.6677 ± 0.0001 Å
• b: 10.4584 ± 0.0003 Å
• c: 14.7861 ± 0.0003 Å
• α: 83.362 ± 0.005°
• β: 73.027 ± 0.004°
• γ: 86.19 ± 0.006°
• Cell volume: 1272.63 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0358
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes