Information card for entry 7205088

Structure parameters

• Formula: C18 H21 N6 O19.5 Sm2
• Calculated formula: C18 H6 N6 O19.5 Sm2
• 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: 10.4555 ± 0.0019 Å
• b: 13.333 ± 0.003 Å
• c: 20.372 ± 0.003 Å
• α: 90°
• β: 102.245 ± 0.01°
• γ: 90°
• Cell volume: 2775.3 ± 0.9 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: 0.0637
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No