Information card for entry 7201038

Structure parameters

• Common name: Trisodium tris(2,2?-oxydiacetato)-gadolinium(iii) hexaahydrate
• Chemical name: Trisodium tris(2,2?-oxydiacetato)-gadolinium(III) hexaahydrate
• Formula: C12 H28 Gd Na3 O23
• Calculated formula: C12 H12 Gd Na3 O23
• SMILES: O.O.O.O.O.O.O.O.[Na+].C1(=O)C[O]2CC(=O)O[Gd]34562(O1)(OC(=O)C[O]3CC(=O)O4)OC(=O)C[O]5CC(=O)O6.[Na+].[Na+]
• Title of publication: Total spontaneous resolution of nine-coordinate complexes
• Authors of publication: Lennartson, Anders; Håkansson, Mikael
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 1979
• a: 17.535 ± 0.004 Å
• b: 8.4677 ± 0.0016 Å
• c: 19.207 ± 0.004 Å
• α: 90°
• β: 111.483 ± 0.016°
• γ: 90°
• Cell volume: 2653.7 ± 1 ų
• Cell temperature: 289 ± 2 K
• Ambient diffraction temperature: 289 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0217
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No