Information card for entry 7226640

Structure parameters

• Formula: C74 H84 Co2 Eu4 N10 O34
• Calculated formula: C74 H84 Co2 Eu4 N10 O34
• SMILES: c12ccccc1C=[N]1c3c(cccc3)C[O]34[Co]5671[N]1=Cc8c([O]6[Eu]69%10%113([O]3[Eu]%12%13%14%15(ON(=[O]%12)=O)([O]=C(O9)C)([O]%10C(C)=[O]%11)[O]9[Eu]%10%11%12%16([O]%17%14Cc%14c([N]%18=Cc%19c(cccc%19)[O]%13[Co]%13%19%17%18[N](=Cc%17c([O]%10%13)cccc%17)c%10c(cccc%10)C[O]%15%11%19)cccc%14)([O]=C(C)O[Eu]%10439([O]25)([O]76Cc2c1cccc2)(ON(=[O]%10)=O)[O]%12C(C)=[O]%16)(ON(=O)=O)[O]=CN(C)C)(ON(=O)=O)[O]=CN(C)C)cccc8.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: 12.4424 ± 0.0019 Å
• b: 19.73 ± 0.003 Å
• c: 19.024 ± 0.003 Å
• α: 90°
• β: 104.094 ± 0.002°
• γ: 90°
• Cell volume: 4529.6 ± 1.2 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: 0.0702
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No