Information card for entry 2220051

Structure parameters

• Chemical name: Poly[(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)tris(μ-naphthalene-1- acetato)terbium(III)]
• Formula: C39 H34 N O7 Tb
• Calculated formula: C39 H34 N O7 Tb
• SMILES: [Tb]1234([O]=C(O1)Cc1cccc5c1cccc5)(OC(=O)Cc1cccc5c1cccc5)([O]=C(O2)Cc1cccc2c1cccc2)([O]=CN(C)C)[O]=C(O[Tb]12([O]=C([O]13)Cc1cccc3c1cccc3)([O]=C([O]24)Cc1cccc2c1cccc2)[O]=CN(C)C)Cc1cccc2c1cccc2
• Title of publication: Poly[(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)tris(μ-naphthalene-1-acetato)terbium(III)]
• Authors of publication: Xia, Hai-Tao; Liu, Yu-Fen; Zhang, Ying-Ying; Wang, Da-Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1521
• a: 17.6484 ± 0.0018 Å
• b: 7.8854 ± 0.001 Å
• c: 24.184 ± 0.003 Å
• α: 90°
• β: 104.613 ± 0.002°
• γ: 90°
• Cell volume: 3256.7 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0668
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes