Information card for entry 4304608

Structure parameters

• Formula: C36 H44 Gd N9 O14
• Calculated formula: C36 H44 Gd N9 O14
• SMILES: O=C1NCCOCCNC(=O)c2n3=[O][Gd]4567([O]=n8c1cccc8O4)(Oc1n(=[O]7)c(ccc1)C(=O)NCCOCCNC(=O)c1cccc(n1=[O]5)O6)Oc3ccc2.[N+](C)(C)(C)C
• 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: 10.028 ± 0.005 Å
• b: 17.771 ± 0.005 Å
• c: 22.564 ± 0.005 Å
• α: 90°
• β: 111.087 ± 0.0019°
• γ: 90°
• Cell volume: 3752 ± 2 ų
• Cell temperature: 128 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1396
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.1715
• Weighted residual factors for all reflections included in the refinement: 0.1899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No