Information card for entry 7226642

Structure parameters

• Formula: C74 H84 Co2 N10 O34 Tb4
• Calculated formula: C74 H84 Co2 N10 O34 Tb4
• SMILES: c12ccccc1[O]1[Co]3456[N](=C2)c2c(cccc2)C[O]24[Tb]4789%10([O]%11[Tb]%12%13%14%15([O]=N(=O)O%12)([O]=C(O8)C)([O]9C(C)=[O]%10)[O]8[Tb]9%10%12%16([O]%17%14Cc%14c([N]%18=Cc%19ccccc%19[O]%13[Co]%13%19%17%18[N](=Cc%17c([O]9%13)cccc%17)c9c(cccc9)C[O]%15%10%19)cccc%14)([O]=C(C)O[Tb]912%118([O]67Cc1c([N]3=Cc2c([O]54)cccc2)cccc1)(ON(=[O]9)=O)[O]%12C(C)=[O]%16)(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: 12.371 ± 0.002 Å
• b: 19.544 ± 0.003 Å
• c: 18.941 ± 0.003 Å
• α: 90°
• β: 103.988 ± 0.003°
• γ: 90°
• Cell volume: 4443.7 ± 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: 0.0923
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No