Information card for entry 7205086

Structure parameters

• Formula: C18 H21 N6 O19.5 Pr2
• Calculated formula: C18 H6 N6 O19.5 Pr2
• Title of publication: Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker
• Authors of publication: Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 251
• a: 10.5283 ± 0.0008 Å
• b: 13.4817 ± 0.0012 Å
• c: 20.5006 ± 0.0018 Å
• α: 90°
• β: 102.016 ± 0.004°
• γ: 90°
• Cell volume: 2846.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No