Information card for entry 7034828

Structure parameters

• Formula: C22 H24 Cu Gd N5 O13
• Calculated formula: C22 H24 Cu Gd N5 O13
• SMILES: [Gd]123456(ON(=[O]2)=O)(ON(=[O]6)=O)([O](c2c6[O]4[Cu]47[N](=Cc8c(c([O]3C)ccc8)[O]17)[C@@H]1CCCC[C@H]1[N]4=Cc6ccc2)C)[O]=N(=[O]5)[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: 9.266 ± 0.0005 Å
• b: 12.0433 ± 0.0007 Å
• c: 12.1879 ± 0.0007 Å
• α: 101.573 ± 0.002°
• β: 95.303 ± 0.002°
• γ: 90.449 ± 0.002°
• Cell volume: 1326.25 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.96 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: 0.0582
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No