Information card for entry 4335529

Structure parameters

• Formula: C36 H36 Dy N27 O33
• Calculated formula: C36 H36 Dy N27 O33
• SMILES: [Dy]12([O]=C3N4C5N6C(=O)N7CN8C(=O)N9CN%10C(=O)N%11CN%12C%13N(C(=O)N%14C%13N(CN%13C(=O)N%15C%16N(CN%17C(=[O]1)N(C1N(C(=O)N(C%171)C%15)C6)C4)C(=O)N(C%14)C%13%16)C%12=O)CN1C(=O)N(CN4C9C8N(CN3C57)C4=O)C%10C%111)([OH2])([OH2])([O]=N(=O)O2)([OH2])[OH2].O.O.O=N(=O)[O-].O=N(=O)[O-].O.O.O.O.O.O
• Title of publication: Dy(III) Single-Ion Magnet Showing Extreme Sensitivity to (De)hydration
• Authors of publication: Min Ren; Dawid Pinkowicz; Minyoung Yoon; Kimoon Kim; Li-Min Zheng; Brian K. Breedlove; Masahiro Yamashita
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8342 - 8348
• a: 32.006 ± 0.008 Å
• b: 14.851 ± 0.004 Å
• c: 11.859 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5637 ± 3 ų
• Cell temperature: 269 ± 1 K
• Ambient diffraction temperature: 269 ± 1 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No