Information card for entry 2223013

Structure parameters

• Chemical name: Poly[[diaqua(3-carboxy-5-nitrobenzoato)(μ-5-nitrobenzene-1,3-dicarboxylato)neodymium(III)] 2.5-hydrate]
• Formula: C16 H16 N2 Nd O16.5
• Calculated formula: C16 H16 N2 Nd O16.5
• Title of publication: Poly[[diaqua(3-carboxy-5-nitrobenzoato)(μ-5-nitrobenzene-1,3-dicarboxylato)neodymium(III)] 2.5-hydrate]
• Authors of publication: Raime, Nurul-Nadia; Adnan, Rohana; Rosli, Mohd Mustaqim; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m1108 - m1109
• a: 9.5748 ± 0.0001 Å
• b: 10.4634 ± 0.0001 Å
• c: 13.3285 ± 0.0002 Å
• α: 69.279 ± 0.001°
• β: 71.753 ± 0.001°
• γ: 66.046 ± 0.001°
• Cell volume: 1118.71 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.019
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes