Information card for entry 7034836

Structure parameters

• Formula: C22 H24 Cu N5 O13 Yb
• Calculated formula: C22 H24 Cu N5 O13 Yb
• SMILES: [Yb]123456([O]7[Cu]89[O]3c3c([O]2C)cccc3C=[N]8[C@@H]2CCCC[C@H]2[N]9=Cc2c7c([O]1C)ccc2)(ON(=[O]4)=O)(ON(=[O]6)=O)ON(=O)=[O]5
• 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: 11.2822 ± 0.0008 Å
• b: 15.1434 ± 0.0011 Å
• c: 15.8487 ± 0.0011 Å
• α: 90°
• β: 104.475 ± 0.001°
• γ: 90°
• Cell volume: 2621.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0274
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No