Information card for entry 4302005

Structure parameters

• Common name: Tb2(H2O)4(C6NO2H4)6
• Chemical name: Tb2(H2O)4(C6NO2H4)6
• Formula: C36 H32 N6 O16 Tb2
• Calculated formula: C36 H28 N6 O16 Tb2
• SMILES: C1(=[O][Tb]234([O]=C(O2)c2cccnc2)([OH2])([OH2])[O]=C(c2cccnc2)O[Tb]2([O]=C(c5cccnc5)O3)([O]=C(c3cccnc3)O4)(O1)(OC(=[O]2)c1cccnc1)([OH2])[OH2])c1cccnc1
• Title of publication: Ligand-Dependent Ultrasonic-Assistant Self-Assemblies and Photophysical Properties of Lanthanide Nicotinic/Isonicotinic Complexes
• Authors of publication: Wentong Chen; Shunichi Fukuzumi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3800 - 3807
• a: 9.5794 ± 0.0012 Å
• b: 11.562 ± 0.0015 Å
• c: 17.705 ± 0.002 Å
• α: 90°
• β: 92.398 ± 0.002°
• γ: 90°
• Cell volume: 1959.2 ± 0.4 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 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: 0.0188
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections included in the refinement: 0.0422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No