Information card for entry 4334507

Structure parameters

• Formula: C112 H192 N16 O48 Tb8
• Calculated formula: C112 H192 N16 O48 Tb8
• SMILES: CC1C2=N[N]3=Cc4cc(C)cc5c4[O]4[Tb]67893([O]2[Tb]23%10%11%12([N]=1O)[N](CC[O]62)(CC[OH]3)Cc1cc(cc2C=[N]3N=C6C(C)=[N](O)[Tb]%13%14%15%16%17%18[O]%19c%20c(C=[N]%21N=C%22C(C)=[N](O)[Tb]%23%24%25%26%27%28[N](Cc%29cc(cc%30C=[N]%31N=C%32C(C)=[N](O)[Tb]%33%34%354([O]7C)([O]=C(O9)C(C)(C)C)[N](C5)(CC[O]%34[Tb]4%31([O]%32%33)([O]%26c%29%30)([O]%27C)([O]=C(O4)C(C)(C)C)[O]=C(C(C)(C)C)O%28)CC[OH]%35)C)(CC[O]%24[Tb]4%19%21([O]%22%23)([O]%13C)([O]=C(O4)C(C)(C)C)[O]=C(C(C)(C)C)O%15)CC[OH]%25)cc(C)cc%20C[N]%14(CC[O]%17[Tb]43([O]6%16)([O]%10c12)([O]%11C)([O]=C(O4)C(C)(C)C)[O]=C(C(C)(C)C)O%12)CC[OH]%18)C)[O]=C(O8)C(C)(C)C.CO.O.CO.O.CO.CO.O.O
• Title of publication: Octanuclear {Ln(III)8} (Ln = Gd, Tb, Dy, Ho) Macrocyclic Complexes in a Cyclooctadiene-like Conformation: Manifestation of Slow Relaxation of Magnetization in the Dy(III) Derivative
• Authors of publication: Vadapalli Chandrasekhar; Prasenjit Bag; Enrique Colacio
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4562 - 4570
• a: 18.261 ± 0.003 Å
• b: 18.261 ± 0.003 Å
• c: 44.911 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14976 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No