Information card for entry 2234854

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[pentaaquacerium(III)]-μ-pyridine-2,4,6-tricarboxylato- κ^4^<i>N</i>,<i>O</i>^2^,<i>O</i>^6^:<i>O</i>^6'^)] tetrahydrate]
• Formula: C8 H20 Ce N O15
• Calculated formula: C8 H20 Ce N O15
• SMILES: [Ce]12(OC(=O)c3[n]2c(cc(c3)C(=O)[O-])C(=O)O1)([OH2])([OH2])([OH2])([OH2])([OH2])[O]=C1O[Ce]2(OC(=O)c3[n]2c1cc(c3)C(=O)[O-])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[pentaaquacerium(III)]-μ-pyridine-2,4,6-tricarboxylato-κ^4^<i>N</i>,<i>O</i>^2^,<i>O</i>^6^:<i>O</i>^6'^] tetrahydrate]
• Authors of publication: Sharif, Shahzad; Khan, Islam Ullah; Zaheer, Samia; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m624 - m625
• a: 6.8437 ± 0.0003 Å
• b: 13.3207 ± 0.0005 Å
• c: 17.9045 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1632.23 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes