Information card for entry 8103103

Structure parameters

• Chemical name: diaqua(hydrogen 5-isonicotinamidoisophthalato) (μ~2~-5-isonicotinamidoisophthalato-κ^2^O^1^,O^3^) Praseodymium(III)]monohydrate], [Pr(C~14~H~9~O~5~N~2~)(C~14~H~8~O~5~N~2~)(H~2~O)~2~].H~2~O
• Formula: C28 H23 N4 O13 Pr
• Calculated formula: C28 H23 N4 O13 Pr
• Title of publication: Crystal structure of diaqua(hydrogen 5-isonicotinamidoisophthalato)-(μ2-5-isonicotinamidoisophthalato-k2O1,O3)- praseodymium(III) monohydrate, Pr(H2O)2(C14H9N2O5)(C14H8O5N2) · H2O
• Authors of publication: Dai-Zhi Kuang; Yong-Lan Feng; Jin-Sheng Xu; Zhi-Jian Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 1
• Pages of publication: 77
• a: 9.6645 ± 0.0008 Å
• b: 10.6237 ± 0.0008 Å
• c: 15.8602 ± 0.0012 Å
• α: 81.453 ± 0.001°
• β: 78.763 ± 0.002°
• γ: 64.177 ± 0.001°
• Cell volume: 1433.95 ± 0.19 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: 0.0352
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No