Information card for entry 4337648

Structure parameters

• Formula: C58 H74 Ho4 N14 O36
• Calculated formula: C58 H74 Ho4 N14 O36
• SMILES: C1c2[n]3[Ho]456([n]7c(C[OH]4)cccc7C[OH]5)([OH]1)([O]([Ho]14578([n]9c(C[OH]1)cccc9C[O]7[Ho]179%10%11([n]%12c(C[OH]7)cccc%12C[O]89)[n]7c(C[O]%10[Ho]89%10%12([n]%13c(C[OH]8)cccc%13C[O]19)([n]1c(C[OH]%10)cccc1C[OH]%12)ON(=O)=O)cccc7C[OH]%11)[n]1c(C[O]64)cccc1C[OH]5)Cc3ccc2)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: 15.2459 ± 0.0019 Å
• b: 14.8786 ± 0.0018 Å
• c: 15.983 ± 0.002 Å
• α: 90°
• β: 92.423 ± 0.006°
• γ: 90°
• Cell volume: 3622.3 ± 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: 0.0523
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.324
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No