Information card for entry 1560676

Structure parameters

• Formula: C21 H23 N4 Nd O16 S2
• Calculated formula: C21 H23 N4 Nd O16 S2
• SMILES: [Nd]1(OS(=O)(=O)c2c(c3[nH]c4c5ccc[nH+]c5c5ncccc5c4n3)ccc(S(=O)(=O)[O-])c2)([O]=C2C(=[O][Nd]3(O2)(OS(=O)(=O)c2c(c4[nH]c5c6ccc[nH+]c6c6ncccc6c5n4)ccc(S(=O)(=O)[O-])c2)(OC(=O)C(=O)O3)([OH2])([OH2])([OH2])[OH2])O1)([OH2])([OH2])([OH2])[OH2].O.O.O.O
• Title of publication: Syntheses, structures and luminescent properties of lanthanide coordination polymers assembled from imidazophenanthroline derivative and oxalate ligands
• Authors of publication: Zhao, Hui; Sun, Xiao-Xia; Hu, Huai-Ming; An, Ran; Yang, Meng-Lin; Xue, Ganglin
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 245
• Pages of publication: 67 - 73
• a: 9.515 ± 0.007 Å
• b: 10.257 ± 0.008 Å
• c: 15.309 ± 0.012 Å
• α: 76.429 ± 0.01°
• β: 76.402 ± 0.011°
• γ: 76.309 ± 0.011°
• Cell volume: 1385.4 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0281
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No