Information card for entry 7700170

Structure parameters

• Formula: C51 H43 N9 O6.5 Sm
• Calculated formula: C51 H43 N9 O6.5 Sm
• Title of publication: Synthesis and structural, redox and photophysical properties of tris-(2,5-di(2-pyridyl)pyrrolide) lanthanide complexes.
• Authors of publication: McPherson, James N.; Abad Galan, Laura; Iranmanesh, Hasti; Massi, Massimiliano; Colbran, Stephen B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 25
• Pages of publication: 9365 - 9375
• a: 17.177 ± 0.003 Å
• b: 13.222 ± 0.003 Å
• c: 19.402 ± 0.004 Å
• α: 90°
• β: 90.85 ± 0.03°
• γ: 90°
• Cell volume: 4406 ± 1.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No