Information card for entry 2228117

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[tetraaqua(3,5-dinitro-4-oxidopyridine <i>N</i>-oxide-κ<i>O</i>^1^)neodymium(III)]-μ-oxalato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^] tetrahydrate]
• Formula: C7 H18 N3 Nd O18
• Calculated formula: C7 H18 N3 Nd O18
• SMILES: [Nd]1(ON2C=C(N(=O)=O)C(=O)C(N(=O)=O)=C2)([OH2])([OH2])([OH2])([OH2])OC(=[O]2)C(=[O]1)O[Nd]12(ON2C=C(N(=O)=O)C(=O)C(N(=O)=O)=C2)([OH2])([OH2])([OH2])([OH2])OC(=O)C(O1)=O.O.O.O.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[tetraaqua(3,5-dinitro-4-oxidopyridine <i>N</i>-oxide-κ<i>O</i>^1^)neodymium(III)]-μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^] tetrahydrate]
• Authors of publication: Han, Yin-Feng; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1431 - m1432
• a: 6.7695 ± 0.0007 Å
• b: 9.9695 ± 0.0011 Å
• c: 14.6269 ± 0.0016 Å
• α: 73.719 ± 0.001°
• β: 88.137 ± 0.001°
• γ: 76.693 ± 0.001°
• Cell volume: 921.58 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0198
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes