Information card for entry 2223119

Structure parameters

• Chemical name: Poly[diaqua(μ~2~-oxalato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)(μ~2~-pyrazine- 2-carboxylato-κ^4^<i>N</i>^1^,<i>O</i>:<i>O</i>,<i>O</i>')neodymium(III)]
• Formula: C7 H7 N2 Nd O8
• Calculated formula: C7 H7 N2 Nd O8
• Title of publication: Poly[diaqua(μ~2~-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)(μ~2~-pyrazine-2-carboxylato-κ^4^<i>N</i>^1^,<i>O</i>:<i>O</i>,<i>O</i>')neodymium(III)]
• Authors of publication: Chen, Ke-Chun; Luo, Huan-Mian; Meng, Qiu-Hui; Luo, Yi-Fan; Zeng, Rong-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m1065 - m1066
• a: 7.948 ± 0.003 Å
• b: 8.6512 ± 0.0018 Å
• c: 8.7425 ± 0.0018 Å
• α: 115.525 ± 0.002°
• β: 101.97 ± 0.003°
• γ: 96.306 ± 0.003°
• Cell volume: 517 ± 0.2 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: 0.0516
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes