Information card for entry 2201400

Structure parameters

• Chemical name: 2,2',2''-Nitrilotris(ethylammonium) tris(pyridine-2,6-dicarboxylato-κ^3^O,N,O')terbate(III) hexahydrate
• Formula: C27 H42 N7 O18 Tb
• Calculated formula: C27 H33 N7 O18 Tb
• SMILES: [Tb]123456(OC(=O)c7[n]1c(ccc7)C(=O)O2)(OC(=O)c1[n]3c(ccc1)C(=O)O4)OC(=O)c1[n]5c(ccc1)C(=O)O6.N(CC[NH3+])(CC[NH3+])CC[NH3+].O.O.O.O.O.O
• Title of publication: 2,2',2''-Nitrilotris(ethylammonium) tris(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')terbate(III) hexahydrate
• Authors of publication: Chen, Lin; Yin, Xian-Hong; Tan, Min-Yu; Xia, Chun-Gu; Yu, Kai-Bei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: m666 - m668
• a: 10.538 ± 0.002 Å
• b: 12.068 ± 0.003 Å
• c: 15.747 ± 0.003 Å
• α: 87.31 ± 0.01°
• β: 71.24 ± 0.02°
• γ: 65.66 ± 0.02°
• Cell volume: 1719.1 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes