Information card for entry 7034830

Structure parameters

• Formula: C22 H24 Cu N5 O13 Tb
• Calculated formula: C22 H24 Cu N5 O13 Tb
• SMILES: [Cu]123[O]4[Tb]56789(ON(=[O]5)=O)(ON(=[O]8)=O)([O]3c3c(cccc3C=[N]2[C@@H]2CCCC[C@H]2[N]1=Cc1c4c([O]6C)ccc1)[O]7C)[O]=N(=[O]9)[O]
• 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: 9.2637 ± 0.0004 Å
• b: 12.0257 ± 0.0005 Å
• c: 12.1769 ± 0.0005 Å
• α: 101.482 ± 0.001°
• β: 95.407 ± 0.001°
• γ: 90.479 ± 0.001°
• Cell volume: 1322.96 ± 0.1 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101.1 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No