Information card for entry 7015752

Structure parameters

• Formula: C27 H29 Dy N2 O6
• Calculated formula: C27 H29 Dy N2 O6
• SMILES: [Dy]1234(OC(=CC(=[O]1)C)C)([O]=C(C)C=C(O2)C)(OC(=CC(=[O]3)C)C)[n]1cccc2ccc3ccc[n]4c3c12
• Title of publication: Coordination-perturbed single-molecule magnet behaviour of mononuclear dysprosium complexes.
• Authors of publication: Chen, Gong-Jun; Gao, Chun-Yan; Tian, Jin-Lei; Tang, Jinkui; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 20
• Pages of publication: 5579 - 5583
• a: 9.501 ± 0.0019 Å
• b: 21.015 ± 0.004 Å
• c: 16.246 ± 0.005 Å
• α: 90°
• β: 116.52 ± 0.02°
• γ: 90°
• Cell volume: 2902.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No