Information card for entry 4304610

Structure parameters

• Common name: Sm-5LIO12HOPO complex
• Formula: C37 H50 N9 O16 Sm
• Calculated formula: C37 H50 N9 O16 Sm
• SMILES: [Sm]123456([O]=n7c(O1)cccc7C(=O)NCCOCCNC(=O)c1n(=[O]3)c(O2)ccc1)[O]=n1c(O4)cccc1C(=O)NCCOCCNC(=O)c1n(=[O]6)c(O5)ccc1.[N+](C)(C)(C)C.OC.O
• Title of publication: Highly Luminescent Lanthanide Complexes of 1-Hydroxy-2-pyridinones
• Authors of publication: Evan G. Moore; Jide Xu; Christoph J. Jocher; Ingrid Castro-Rodriguez; Kenneth N. Raymond
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3105 - 3118
• a: 8.6048 ± 0.0005 Å
• b: 18.4988 ± 0.0011 Å
• c: 26.6387 ± 0.0016 Å
• α: 90°
• β: 90.618 ± 0.001°
• γ: 90°
• Cell volume: 4240.1 ± 0.4 ų
• Cell temperature: 155 ± 2 K
• Ambient diffraction temperature: 155 ± 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: 0.0499
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0732
• 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