Information card for entry 7202966

Structure parameters

• Formula: C68 H58 Gd2 N8 O20 S4
• Calculated formula: C68 H54 Gd2 N8 O20 S4
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Gd]124([n]3cccc4c3c3[n]1cccc3cc4)([OH][Gd]14([n]3cccc5ccc6ccc[n]1c6c35)([n]1cccc3ccc5ccc[n]4c5c13)([OH]2)(OS(=O)(=O)c1cc2cc(S(=O)(=O)[O-])ccc2cc1)[OH2])(OS(=O)(=O)c1cc2c(cc1)ccc(S(=O)(=O)[O-])c2)[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: 10.6498 ± 0.0013 Å
• b: 12.6501 ± 0.0016 Å
• c: 13.682 ± 0.002 Å
• α: 84.05 ± 0.003°
• β: 68.256 ± 0.002°
• γ: 75.975 ± 0.002°
• Cell volume: 1660.9 ± 0.4 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: 0.0538
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No