Information card for entry 2230126

Structure parameters

• Common name: Ethylenediammonium yttrium squarate tetrahydrate
• Chemical name: <i>catena</i>-poly[sesqui(ethylenediammonium) [[tetraaquabis(squarato-κ<i>O</i>)yttrium(III)]-μ-squarato- κ^2^<i>O</i>:<i>O</i>']]
• Formula: C30 H46 N6 O32 Y2
• Calculated formula: C30 H46 N6 O32 Y2
• SMILES: [Y]([OH2])([OH2])([OH2])([OH2])(OC1=C([O-])C(=O)C1=O)(OC1=C([O-])C(=O)C1=O)(OC1=C([O-])C(=O)C1=O)OC1=C(C(=O)C1=O)O[Y]([OH2])([OH2])([OH2])([OH2])(OC1=C([O-])C(=O)C1=O)OC1=C([O-])C(=O)C1=O.[NH3+]CC[NH3+].[NH3+]CC[NH3+].[NH3+]CC[NH3+]
• Title of publication: Yttrium ethylenediammonium squarate tetrahydrate
• Authors of publication: Zenkhri, Louiza; Audebrand, Nathalie; Bataille, Thierry
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m529 - m530
• a: 8.978 ± 0.0002 Å
• b: 13.2864 ± 0.0003 Å
• c: 18.397 ± 0.0004 Å
• α: 90°
• β: 90.935 ± 0.001°
• γ: 90°
• Cell volume: 2194.2 ± 0.08 ų
• Cell temperature: 293 ± 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: 0.0579
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes