Information card for entry 7226641

Structure parameters

• Formula: C74 H84 Co2 Gd4 N10 O34
• Calculated formula: C74 H84 Co2 Gd4 N10 O34
• SMILES: c12ccccc1[O]1[Co]3456[N](=C2)c2c(cccc2)C[O]24[Gd]47891([O]1[Gd]%10%11%12%13([O]=N(=O)O%10)([O]=C(O7)C)([O]8C(C)=[O]9)[O]7[Gd]89%10%14([O]%15c%16c(cccc%16)C=[N]%16c%17c(cccc%17)C[O]%118[Co]8%11%15%16[N](=Cc%15c([O]%128)cccc%15)c8c(cccc8)C[O]%139%11)([O]=C(C)O[Gd]89217([O]5c1c(cccc1)C=[N]3c1c(cccc1)C[O]648)(ON(=[O]9)=O)[O]%10C(C)=[O]%14)(ON(=O)=O)[O]=CN(C)C)(ON(=O)=O)[O]=CN(C)C.C(O)C.C(C)O
• Title of publication: Chair-like [LnIII4CoIII2] (Ln = Dy, Eu, Gd, Tb) clusters including a [DyIII4CoIII2] single molecule magnet
• Authors of publication: Zhang, Haifeng; Liu, Rui; Zhang, Jin; Li, Yahong; Liu, Wei
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 42
• Pages of publication: 8246
• a: 12.443 ± 0.003 Å
• b: 19.742 ± 0.004 Å
• c: 19.009 ± 0.004 Å
• α: 90°
• β: 104.077 ± 0.003°
• γ: 90°
• Cell volume: 4529.3 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No