Information card for entry 7034835

Structure parameters

• Formula: C22 H24 Cu Er N5 O13
• Calculated formula: C22 H24 Cu Er N5 O13
• SMILES: [Er]12345([O]6[Cu]78[O]1c1c([O]2C)cccc1C=[N]7[C@@H]1CCCC[C@H]1[N]8=Cc1c6c([O]3C)ccc1)(ON(=O)=[O]4)([O]=N(=O)O5)ON(=O)=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: 11.285 ± 0.0001 Å
• b: 15.1767 ± 0.0001 Å
• c: 15.8584 ± 0.0001 Å
• α: 90°
• β: 104.65°
• γ: 90°
• Cell volume: 2627.75 ± 0.03 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: 0.0366
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No