Information card for entry 4337651

Structure parameters

• Formula: C58 H74 N14 O36 Yb4
• Calculated formula: C58 H72 N14 O36 Yb4
• SMILES: c12C[OH][Yb]3456([n]1c(C[O]3[Yb]13789([n]%10c(C[O]61)cccc%10C[OH]3)[n]1c(cccc1C[OH]7)C[O]8[Yb]13678([n]%10c(C[O]3[Yb]3%11%12%13([n]%14c(C[O]13)cccc%14C[OH]%11)([n]1c(C[OH]%12)cccc1C[OH]%13)ON(=O)=O)cccc%10C[OH]6)[n]1c(C[O]97)cccc1C[OH]8)ccc2)([n]1c(C[OH]4)cccc1C[OH]5)ON(=O)=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: 15.287 ± 0.002 Å
• b: 14.773 ± 0.002 Å
• c: 15.954 ± 0.002 Å
• α: 90°
• β: 93.095 ± 0.007°
• γ: 90°
• Cell volume: 3597.7 ± 0.8 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: 0.1322
• Residual factor for significantly intense reflections: 0.103
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.341
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No