Information card for entry 2014501

Structure parameters

• Chemical name: Poly[aquaneodymium(III)-μ~5~-2-hydroxy-5-sulfonatobenzoato]
• Formula: C7 H5 Nd O7 S
• Calculated formula: C7 H5 Nd O7 S
• Title of publication: Poly[aquaneodymium(III)-μ~5~-2-oxido-5-sulfonatobenzoato]
• Authors of publication: Wang, Xiao-Qin; Zhang, Jian; Li, Zhao-Ji; Wen, Yi-Hang; Cheng, Jian-Kai; Yao, Yuan-Gen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m657 - m658
• a: 6.0553 ± 0.0002 Å
• b: 8.2433 ± 0.0003 Å
• c: 9.9694 ± 0.0001 Å
• α: 111.733 ± 0.002°
• β: 94.984 ± 0.002°
• γ: 93.813 ± 0.002°
• Cell volume: 457.88 ± 0.02 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 significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes