Information card for entry 7021579

Structure parameters

• Formula: C10 H4 Gd Na O17
• Calculated formula: C10 H4 Gd Na O17
• SMILES: C1(O[Gd]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])OC5=C(C(=O)C(=O)C5=O)[O-])=C([O-])C(=O)C(=O)C1=O.[Na+]
• Title of publication: Lanthanide based coordination polymers chill, relax under magnetic field and also fluoresce.
• Authors of publication: Goswami, Soumyabrata; Adhikary, Amit; Jena, Himanshu Sekhar; Konar, Sanjit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 27
• Pages of publication: 9813 - 9817
• a: 6.7742 ± 0.001 Å
• b: 15.937 ± 0.003 Å
• c: 8.1168 ± 0.0014 Å
• α: 90°
• β: 113.16 ± 0.01°
• γ: 90°
• Cell volume: 805.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0171
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.0419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No