Information card for entry 7227733

Structure parameters

• Formula: C50 H78 Cu5 Eu2 F12 N4 O26 P2
• Calculated formula: C50 H78 Cu5 Eu2 F12 N4 O26 P2
• SMILES: C[O]1c2c3c(C[NH]4CC5[O]6[Cu]784[O]3[Eu]349%101([O]1c%11c(C[NH]%12CC%13[O]%14[Cu]1%12([O]9[Cu]1([O]74)[O]4[Cu]79%14[NH](Cc%12c%14c(ccc%12)[O](C)[Eu]%12%15%164([O]7%14)([O]4c7c(C[NH](C5)[Cu]64([O]1%15)[O]=C(C)O%16)cccc7[O]%12C)[O]=C(O9)C)C%13)[O]=C(C)O%10)cccc%11[O]3C)[O]=C(O8)C)ccc2.[P](F)(F)(F)(F)(F)[F-].C(C)O.O.[P](F)(F)(F)(F)(F)[F-].C(C)O.O
• Title of publication: Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties
• Authors of publication: Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 13
• Pages of publication: 1816
• a: 9.5585 ± 0.0019 Å
• b: 14.859 ± 0.003 Å
• c: 14.869 ± 0.003 Å
• α: 63.43 ± 0.03°
• β: 71.39 ± 0.03°
• γ: 84.76 ± 0.03°
• Cell volume: 1786.7 ± 0.9 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9553
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No