Information card for entry 7015753

Structure parameters

• Formula: C29 H25 Dy N6 O9
• Calculated formula: C29 H25 Dy N6 O9
• SMILES: c1ccc2ccc3c4c2[n]1[Dy]1256([n]4ccc3)(ON(=[O]1)=O)(OC(=CC(C)=[O]6)C)([n]1cccc3ccc4c(c13)[n]2ccc4)ON(=[O]5)=O.O
• 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: 11.193 ± 0.002 Å
• b: 9.569 ± 0.0019 Å
• c: 15.559 ± 0.005 Å
• α: 90°
• β: 123.63 ± 0.02°
• γ: 90°
• Cell volume: 1387.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.318
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No