Information card for entry 1514168

Structure parameters

• Formula: C21 H20 N9 O10 Tb
• Calculated formula: C21 H20 N9 O10 Tb
• SMILES: [Tb]123(Oc4n[nH]c(=O)c5c4[n]2ccc5)(Oc2c4[n]1cccc4c(=O)[nH]n2)(Oc1n[nH]c(=O)c2ccc[n]3c12)([OH2])([OH2])[OH2].O
• Title of publication: A series of mononuclear lanthanide complexes featuring 3-D supramolecular networks: synthesis, characterization and luminescent properties for sensing guest molecules.
• Authors of publication: Ahmad, Waqar; Zhang, Lijuan; Zhou, Yunshan
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2014
• Journal volume: 13
• Journal issue: 4
• Pages of publication: 660 - 670
• a: 5.9758 ± 0.0002 Å
• b: 21.4942 ± 0.0013 Å
• c: 18.3468 ± 0.0012 Å
• α: 90°
• β: 91.887 ± 0.004°
• γ: 90°
• Cell volume: 2355.3 ± 0.2 ų
• Cell temperature: 98.6 K
• Ambient diffraction temperature: 98.6 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No