Information card for entry 7037822

Structure parameters

• Formula: C76 H86 Er2 N18 O27
• Calculated formula: C76 H80 Er2 N18 O27
• Title of publication: Lanthanide salen-type complexes exhibiting single ion magnet and photoluminescent properties.
• Authors of publication: Ren, Min; Xu, Zhong-Li; Bao, Song-Song; Wang, Ting-Ting; Zheng, Ze-Hua; Ferreira, Rute A. S.; Zheng, Li-Min; Carlos, Luis D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 2974 - 2982
• a: 12.349 ± 0.008 Å
• b: 12.659 ± 0.008 Å
• c: 15.668 ± 0.01 Å
• α: 69.829 ± 0.009°
• β: 75.214 ± 0.01°
• γ: 71.612 ± 0.01°
• Cell volume: 2152 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No