Information card for entry 2205556

Structure parameters

• Chemical name: Heptaaqua(isonicotinato-κ^2^O,O')lanthanum(III) 1,5-naphthalenedisulfonate
• Formula: C16 H24 La N O15 S2
• Calculated formula: C16 H24 La N O15 S2
• SMILES: [La]1(OC(=[O]1)c1ccncc1)([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])c1cccc2c(S(=O)(=O)[O-])cccc12
• Title of publication: Heptaaqua(isonicotinato-κ^2^<i>O,O</i>')lanthanum(III) 1,5-naphthalenedisulfonate
• Authors of publication: Gao, Shan; Zhu, Zhi-Biao; Huo, Li-Hua; Zhao, Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m656 - m658
• a: 6.434 ± 0.0013 Å
• b: 22.876 ± 0.005 Å
• c: 16.273 ± 0.003 Å
• α: 90°
• β: 95.87 ± 0.03°
• γ: 90°
• Cell volume: 2382.6 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes