Information card for entry 7220617

Structure parameters

• Formula: C18 H23 Er N6 O9 S
• Calculated formula: C18 H23 Er N6 O9 S
• SMILES: [Er]12345([O]=N(=O)O1)(ON(=O)=[O]2)([O]=S(C)C)Oc1cccc2ccc(C=[N]4CCc4c[nH]c[n]34)[n]5c12.CO
• Title of publication: Anion-dependent assembly of Dy complexes: structures and magnetic behaviors
• Authors of publication: Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 27
• Pages of publication: 5066
• a: 9.3532 ± 0.0007 Å
• b: 10.1772 ± 0.0004 Å
• c: 12.8201 ± 0.0005 Å
• α: 85.678 ± 0.003°
• β: 87.922 ± 0.004°
• γ: 76.71 ± 0.005°
• Cell volume: 1184.05 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No