Information card for entry 7012687

Structure parameters

• Formula: C20 H25 Gd N4 Na O12.5
• Calculated formula: C20 H25 Gd N4 Na O12.5
• SMILES: [Gd]1234([O]=n5c(O1)cccc5)(Oc1n(=[O]2)cccc1)(Oc1n(=[O]3)cccc1)Oc1n(=[O]4)cccc1.[Na+].O.O.O.O.O
• Title of publication: A solid-state study of eight-coordinate lanthanide(iii) complexes (Ln = Eu, Gd, Tb, Dy) with 1-hydroxy-2-pyridinone
• Authors of publication: Tedeschi, Christine; Azéma, Joëlle; Gornitzka, Heinz; Tisnès, Pierre; Picard, Claude
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 9
• Pages of publication: 1738
• a: 14.1145 ± 0.0006 Å
• b: 19.1011 ± 0.0007 Å
• c: 19.2734 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5196.2 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No