Information card for entry 7041527

Structure parameters

• Formula: C8 H16 Er N3 O13
• Calculated formula: C8 H16 Er N3 O13
• SMILES: C1C[O]2CC[O]3CC[O]4CC[O]1[Er]156234(ON(=[O]1)=O)(ON(=[O]6)=O)ON(=[O]5)=O
• Title of publication: Half-sandwich lanthanide crown ether complexes with the slow relaxation of magnetization and photoluminescence behaviors.
• Authors of publication: Gao, Feng; Yang, Feng-Lei; Feng, Xiaowan; Xu, Huimin; Sun, Wang; Liu, Huan; Li, Xiu-Ling
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 4
• Pages of publication: 1317 - 1323
• a: 12.093 ± 0.0019 Å
• b: 8.5348 ± 0.0014 Å
• c: 15.134 ± 0.002 Å
• α: 90°
• β: 91.562 ± 0.002°
• γ: 90°
• Cell volume: 1561.4 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.032
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No