Information card for entry 4303017

Structure parameters

• Formula: C60 H65 N24 O14 Tb3 Zn2
• Calculated formula: C60 H65 N24 O14 Tb3 Zn2
• SMILES: [Tb]1234567([OH]8[Tb]9%10%11%12%13([OH]1[Tb]18%14%15([N](=Cc8cccc([O]6C)c8[O]71)CC[N]%14=Cc1cccc([O]9C)c1[O]%10%15)(N=N#N)N=N#N)([N]2=N#N)[O]1(C)[Zn]267([N](=Cc8cccc1c8[O]%126)CC[N]2=Cc1cccc([O]%11C)c1[O]%137)N=N#N)[O]1(C)[Zn]267([N](=Cc8cccc1c8[O]36)CC[N]2=Cc1cccc([O]5C)c1[O]47)N=N#N.N#CC.N#CC.N#CC
• Title of publication: Salen-Based [Zn2Ln3] Complexes with Fluorescence and Single-Molecule-Magnet Properties
• Authors of publication: Carolyn E. Burrow; Tara J. Burchell; Po-Heng Lin; Fatemah Habib; Wolfgang Wernsdorfer; Rodolphe Clérac; Muralee Murugesu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8051 - 8053
• a: 12.249 ± 0.008 Å
• b: 16.261 ± 0.011 Å
• c: 18.974 ± 0.013 Å
• α: 83.606 ± 0.009°
• β: 77.265 ± 0.009°
• γ: 69.919 ± 0.008°
• Cell volume: 3460 ± 4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No