Information card for entry 2208214

Structure parameters

• Chemical name: catena-Poly[[[μ-benzene-1,4-dicarboxylato-bis[tetraaqualutetium(III)]- di-μ-benzene-1,4-dicarboxylato] dihydrate]
• Formula: C24 H32 Lu2 O22
• Calculated formula: C24 H32 Lu2 O22
• SMILES: [Lu]12(OC(=[O]1)c1ccc(C(=O)[O-])cc1)(OC(=O)c1ccc(C(=O)O[Lu]3(OC(=O)c4ccc(C(=O)[O-])cc4)(OC(=[O]3)c3ccc(C(=O)O[Lu](OC(=O)c4ccc(C(=O)O[Lu]5(OC(=[O]5)c5ccc(C(=O)O2)cc5)([OH2])([OH2])([OH2])[OH2])cc4)([OH2])([OH2])([OH2])[OH2])cc3)([OH2])([OH2])([OH2])[OH2])cc1)([OH2])([OH2])([OH2])[OH2].O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[μ-benzene-1,4-dicarboxylato-bis[tetraaqualutetium(III)]]-di-μ-benzene-1,4-dicarboxylato] dihydrate]
• Authors of publication: Wang, Ping; Li, Zhi-Feng; Song, Le-Ping; Wang, Chun-Xiang; Chen, Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m253 - m255
• a: 7.5264 ± 0.0004 Å
• b: 10.0492 ± 0.0006 Å
• c: 10.4543 ± 0.0005 Å
• α: 87.806 ± 0.004°
• β: 82.513 ± 0.003°
• γ: 86.215 ± 0.003°
• Cell volume: 781.9 ± 0.07 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes