Information card for entry 7034825

Structure parameters

• Formula: C22 H26 Cu N5 Nd O14
• Calculated formula: C22 H26 Cu N5 Nd O14
• SMILES: [Cu]123[O]4[Nd]56789(O[N](=[O]5)=O)([O]=N(=O)O8)([O]3c3c([O]6C)cccc3C=[N]1[C@@H]1CCCC[C@H]1[N]2=Cc1c4c([O]7C)ccc1)([OH2])ON(=O)=[O]9
• 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: 7.7396 ± 0.0006 Å
• b: 12.5347 ± 0.001 Å
• c: 14.1169 ± 0.0011 Å
• α: 93.38 ± 0.002°
• β: 91.777 ± 0.002°
• γ: 99.381 ± 0.002°
• Cell volume: 1347.72 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0322
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No