Information card for entry 2228270

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')cerium(III)]- bis[μ-2-(4-hydroxyphenyl)acetato]- κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'] monohydrate]
• Formula: C16 H20 Ce N O12
• Calculated formula: C16 H20 Ce N O12
• SMILES: [Ce]1234([OH2])([O]=C([O]1[Ce]15([OH2])([O]=C([O]41)Cc1ccc(O)cc1)([OH2])[O]=N(=O)O5)Cc1ccc(O)cc1)([OH2])([O]=C(O2)Cc1ccc(O)cc1)(OC(=O)Cc1ccc(O)cc1)[O]=N(=O)O3.O.O
• Title of publication: <i>catena</i>-Poly[[[diaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')cerium(III)]-bis[μ-2-(4-hydroxyphenyl)acetato]-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'] monohydrate]
• Authors of publication: Guo, Hang-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1602
• a: 8.1151 ± 0.0003 Å
• b: 9.8048 ± 0.0004 Å
• c: 13.2396 ± 0.0005 Å
• α: 92.12 ± 0.002°
• β: 90.829 ± 0.002°
• γ: 112.55 ± 0.002°
• Cell volume: 971.76 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0228
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes