Information card for entry 2219989

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaqualanthanum(III)]-tetrakis[μ-<i>N</i>-(4- acetamidophenylsulfonyl)glycinato]-[diaqualanthanum(III)]-bis[μ-<i>N</i>- (4-acetamidophenylsulfonyl)glycinato]] 4,4'-bipyridine disolvate tetradecahydrate]
• Formula: C80 H118 La2 N16 O48 S6
• Calculated formula: C80 H118 La2 N16 O48 S6
• SMILES: [La]1234([OH2])([OH2])([O]=C(O[La]([O]=C(O1)CNS(=O)(=O)c1ccc(NC(=O)C)cc1)([OH2])([OH2])([O]=C(O2)CNS(=O)(=O)c1ccc(NC(=O)C)cc1)(OC(=O)CNS(=O)(=O)c1ccc(NC(=O)C)cc1)(OC(=O)CNS(=O)(=O)c1ccc(NC(=O)C)cc1)OC(=[O]3)CNS(=O)(=O)c1ccc(NC(=O)C)cc1)CNS(=O)(=O)c1ccc(NC(=O)C)cc1)[O]=C(O[La]123([OH2])([OH2])([O]=C(O[La]([O]=C(O1)CNS(=O)(=O)c1ccc(NC(=O)C)cc1)([OH2])([OH2])([O]=C(O2)CNS(=O)(=O)c1ccc(NC(=O)C)cc1)OC(=[O]3)CNS(=O)(=O)c1ccc(NC(=O)C)cc1)CNS(=O)(=O)c1ccc(NC(=O)C)cc1)[O]=C(O4)CNS(=O)(=O)c1ccc(NC(=O)C)cc1)CNS(=O)(=O)c1ccc(NC(=O)C)cc1.O.O.O.O.O.O.O.n1ccc(cc1)c1ccncc1.O.O.O.O.O.O.O.n1ccc(cc1)c1ccncc1.O.O.O.O.O.O.O.n1ccc(cc1)c1ccncc1.O.O.O.O.O.O.O.n1ccc(cc1)c1ccncc1
• Title of publication: <i>catena</i>-Poly[[[diaqualanthanum(III)]-tetrakis[μ-<i>N</i>-(4-acetamidophenylsulfonyl)glycinato]-[diaqualanthanum(III)]-bis[μ-<i>N</i>-(4-acetamidophenylsulfonyl)glycinato]] 4,4'-bipyridine disolvate tetradecahydrate]
• Authors of publication: Wang, Jian-Ge; Qin, Jian-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1364 - m1365
• a: 9.6379 ± 0.0008 Å
• b: 16.9589 ± 0.0013 Å
• c: 17.6005 ± 0.0014 Å
• α: 99.971 ± 0.001°
• β: 105.758 ± 0.001°
• γ: 93.692 ± 0.001°
• Cell volume: 2707.9 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes