Information card for entry 7033031

Structure parameters

• Formula: C53 H85 Dy N10 O8 S4
• Calculated formula: C53 H85 Dy N10 O8 S4
• SMILES: [Dy]1234([NH]5Cc6cc(cc(C[NH2+][C@@H]7[C@@H]([NH2+]Cc8cc(cc(C[NH2+][C@@H]9[C@@H]([NH2+]Cc%10c(O2)c(cc(c%10)C)C[NH]1[C@@H]1[C@@H]5CCCC1)CCCC9)c8O3)C)CCCC7)c6O4)C)(N=C=S)N=C=S.N#C[S-].N#C[S-].OC.OC.OC.O.OC
• Title of publication: Chiral mononuclear lanthanide complexes and the field-induced single-ion magnet behaviour of a Dy analogue.
• Authors of publication: Lin, Shuang-Yan; Wang, Chao; Zhao, Lang; Wu, Jianfeng; Tang, Jinkui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 1
• Pages of publication: 223 - 229
• a: 10.409 ± 0.003 Å
• b: 11.756 ± 0.003 Å
• c: 13.65 ± 0.004 Å
• α: 106.55 ± 0.005°
• β: 98.526 ± 0.006°
• γ: 94.961 ± 0.006°
• Cell volume: 1568.8 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.1941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No