Information card for entry 7034833

Structure parameters

• Formula: C22 H24 Cu Dy N5 O13
• Calculated formula: C22 H24 Cu Dy N5 O13
• SMILES: [Dy]123456([O]7[Cu]89[O]1c1c(cccc1C=[N]8[C@H]1[C@H]([N]9=Cc%10c7c([O]2C)ccc%10)CCCC1)[O]3C)(ON(=[O]4)=O)([O]=N(=O)O5)[O]=N(=O)O6
• Title of publication: Temperature-controlled polymorphism of chiral Cu(II)-Ln(III) dinuclear complexes exhibiting slow magnetic relaxation.
• Authors of publication: Wen, He-Rui; Bao, Jun; Liu, Sui-Jun; Liu, Cai-Ming; Zhang, Cai-Wei; Tang, Yun-Zhi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 24
• Pages of publication: 11191 - 11201
• a: 11.2976 ± 0.0006 Å
• b: 15.2584 ± 0.0008 Å
• c: 15.8897 ± 0.0007 Å
• α: 90°
• β: 105.251 ± 0.003°
• γ: 90°
• Cell volume: 2642.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No