Information card for entry 2220075

Structure parameters

• Chemical name: catena-Poly[[[diacrylato-κ^4^O,O'-neodymium(III)]-di-μ- acrylato-κ^3^O,O':O';κ^3^O:O,O'-[triaquaneodymium(III)]-di-μ- acrylato-κ^3^O,O':O';κ^3^O:O,O'] trihydrate]
• Formula: C18 H30 Nd2 O18
• Calculated formula: C18 H30 Nd2 O18
• SMILES: [Nd]12([OH2])([OH2])([OH2])[O]=C(C=C)[O]1[Nd]13456([O]=C(C=C)[O]23)([O]=C(C=C)O1)([O]=C(C=C)O4)[O]=C(C=C)[O]5[Nd]123([OH2])([OH2])([OH2])([O]6C(=[O]3)C=C)[O]=C(C=C)[O]1[Nd]1345([O]=C(C=C)[O]23)(OC(=O)C=C)([O]=C(C=C)O1)([O]=C(C=C)O4)[O]=C(C=C)[O]5.O.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[diacrylato-κ^4^<i>O</i>,<i>O</i>'-neodymium(III)]-di-μ-acrylato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-[triaquaneodymium(III)]-di-μ-acrylato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'] trihydrate]
• Authors of publication: Hao, Lujiang; Mu, Chunhua; Kong, Binbin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1492 - m1493
• a: 10.2012 ± 0.001 Å
• b: 15.242 ± 0.002 Å
• c: 20.3073 ± 0.001 Å
• α: 90°
• β: 100.801 ± 0.002°
• γ: 90°
• Cell volume: 3101.6 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes