Information card for entry 7034826

Structure parameters

• Formula: C24 H27 Cu N6 O13 Sm
• Calculated formula: C24 H27 Cu N6 O13 Sm
• SMILES: [Sm]123456(ON(=[O]4)=O)(ON(=O)=[O]3)([O]3[Cu]47[N](=Cc8c(c([O]5C)ccc8)[O]27)[C@@H]2CCCC[C@H]2[N]4=Cc2c3c([O]1C)ccc2)[O]=N(=O)O6.CC#N
• 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: 12.8073 ± 0.0007 Å
• b: 9.1629 ± 0.0005 Å
• c: 24.3229 ± 0.0013 Å
• α: 90°
• β: 97.803 ± 0.001°
• γ: 90°
• Cell volume: 2827.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0311
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No