Information card for entry 7037557

Structure parameters

• Formula: C32 H33 Cl Gd N3 Na O8 P
• Calculated formula: C32 H33 Cl Gd N3 Na O8 P
• SMILES: [Gd]12345([N]6=Cc7c8c(ccc7)[O](C)[Na]7([O](c9c(c(C=[N]2CC[NH]1CC6)ccc9)[O]37)C)([O]48)[O]=P(O5)(Oc1ccccc1)Oc1ccccc1)Cl
• Title of publication: Single molecule magnet behavior observed in a 1-D dysprosium chain with quasi-D5h symmetry.
• Authors of publication: Huang, Xing-Cai; Zhang, Ming; Wu, Dayu; Shao, Dong; Zhao, Xin-Hua; Huang, Wei; Wang, Xin-Yi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 48
• Pages of publication: 20834 - 20838
• a: 22.267 ± 0.003 Å
• b: 8.4192 ± 0.0013 Å
• c: 36.839 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6906.2 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No