Information card for entry 4337649

Structure parameters

• Formula: C58 H74 N14 O36 Tb4
• Calculated formula: C58 H74 N14 O36 Tb4
• SMILES: c12[n]3c(ccc2)C[OH][Tb]24563([O](Cc3[n]4c(C[OH]6)ccc3)[Tb]34678([n]9c(C[OH]3)cccc9C[OH]4)([n]3c(C[OH]7)cccc3C[O]26)ON(=[O]8)=O)[O](C1)[Tb]12346([n]7c(C[O]51)cccc7C[OH]2)[n]1c(C[OH]3)cccc1C[O]4[Tb]12345([n]7c(C[OH]1)cccc7C[OH]2)([n]1c(C[O]63)cccc1C[OH]4)ON(=[O]5)=O.N(=O)(=O)[O-].N(=O)(=O)[O-].CO.N(=O)(=O)[O-].N(=O)(=O)[O-].CO
• Title of publication: Tetranuclear Lanthanide(III) Complexes with a Zigzag Topology from the Use of Pyridine-2,6-dimethanol: Synthetic, Structural, Spectroscopic, Magnetic and Photoluminescence Studies.
• Authors of publication: Alexandropoulos, Dimitris I.; Cunha-Silva, Luís; Pham, Linh; Bekiari, Vlasoula; Christou, George; Stamatatos, Theocharis C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 3220 - 3229
• a: 15.2655 ± 0.0018 Å
• b: 14.9732 ± 0.0016 Å
• c: 16.0103 ± 0.0019 Å
• α: 90°
• β: 92.407 ± 0.006°
• γ: 90°
• Cell volume: 3656.3 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No