Information card for entry 7202967

Structure parameters

• Formula: C68 H58 N8 O20 S4 Tb2
• Calculated formula: C68 H58 N8 O20 S4 Tb2
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Tb]124([n]3c4c5[n]1cccc5ccc4ccc3)(OS(=O)(=O)c1cc3c(cc1)ccc(S(=O)(=O)[O-])c3)([OH2])[OH][Tb]13([n]4cccc5ccc6ccc[n]1c6c45)([n]1cccc4ccc5ccc[n]3c5c14)([OH]2)(OS(=O)(=O)c1cc2cc(S(=O)(=O)[O-])ccc2cc1)[OH2].O.O.O.O
• Title of publication: Arenedisulfonate‒lanthanide supramolecular architectures with phenanthroline as a co-ligand: syntheses and structures
• Authors of publication: Zhao, Jiong-Peng; Hu, Bo-Wen; Liu, Fu-Chen; Hu, Xin; Zeng, Yong-Fei; Bu, Xian-He
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 902
• a: 10.685 ± 0.003 Å
• b: 12.699 ± 0.004 Å
• c: 13.698 ± 0.004 Å
• α: 84.405 ± 0.004°
• β: 68.237 ± 0.004°
• γ: 75.866 ± 0.004°
• Cell volume: 1673.9 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.057
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No