Information card for entry 4334509

Structure parameters

• Formula: C112 H192 Ho8 N16 O48
• Calculated formula: C112 H192 Ho8 N16 O48
• SMILES: CC1C2=N[N]3=Cc4c5[O]6[Ho]789%103([O]2[Ho]23%11%12%13([N]=1O)[N](Cc1cc(cc%14C=[N]%15N=C%16C(C)=[N](O)[Ho]%17%18%19%20%21%22[O]%23c%24c(C=[N]%25N=C%26C(C)=[N](O)[Ho]%27%28%29%30%31%32[N](Cc%33cc(cc%34C=[N]%35N=C%36C(C)=[N](O)[Ho]%37%38%396([O]8C)([N](Cc5cc(c4)C)(CC[O]%38[Ho]4%35([O]%36%37)([O]%31c%33%34)([O]%32C)([O]=C(O4)C(C)(C)C)[O]=C(O%30)C(C)(C)C)CC[OH]%39)[O]=C(O%10)C(C)(C)C)C)(CC[O]%28[Ho]4%23%25([O]%26%27)([O]%17C)([O]=C(O4)C(C)(C)C)[O]=C(O%22)C(C)(C)C)CC[OH]%29)cc(C)cc%24C[N]%18(CC[O]%20[Ho]4%15([O]%16%19)([O]%12c1%14)([O]%13C)([O]=C(O4)C(C)(C)C)[O]=C(O%11)C(C)(C)C)CC[OH]%21)C)(CC[O]72)CC[OH]3)[O]=C(O9)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: 18.183 ± 0.003 Å
• b: 18.183 ± 0.003 Å
• c: 44.626 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14754 ± 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: 0.0647
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No