Information card for entry 4337650

Structure parameters

• Formula: C58 H74 Er4 N14 O36
• Calculated formula: C58 H74 Er4 N14 O36
• SMILES: [Er]12345(ON(=O)=O)([O]([Er]6789%10([OH]Cc%11[n]9c(ccc%11)C[O]7[Er]79%11%12%13([O]6Cc6[n]%12c(ccc6)C[OH]9)[O]([Er]69%12%14([OH]Cc%15[n]%14c(ccc%15)C[OH]6)(ON(=O)=O)[O]7Cc6[n]%12c(ccc6)C[OH]9)Cc6[n]%13c(ccc6)C[OH]%11)[OH]Cc6[n]%10c(ccc6)C[O]18)Cc1[n]4c(ccc1)C[OH]2)[OH]Cc1[n]5c(ccc1)C[OH]3.O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-].OC.OC
• 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: 15.5716 ± 0.0018 Å
• b: 14.0309 ± 0.0015 Å
• c: 16.5856 ± 0.0019 Å
• α: 90°
• β: 95.035 ± 0.006°
• γ: 90°
• Cell volume: 3609.7 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No