Information card for entry 4334506

Structure parameters

• Formula: C114 H198 Gd8 N16 O48
• Calculated formula: C114 H198 Gd8 N16 O48
• SMILES: [Gd]1234567[O]8[Gd]9%10%11([O]%12[Gd]%13%14%15%16%17%18[O]%19[Gd]%20%21%22([O]%23[Gd]%24%25%26%27%28([O]%29[Gd]%30%31%32([O]%33[Gd]%34%35%36%37%38([O]%39[Gd]%40%41([O]1CC[N]6(CC[OH]2)Cc1c8c(C=[N]%11N=C%12C(=[N]%17O)C)cc(c1)C)([O]5C(=N[N]%41=Cc1cc(C)cc(c%391)C[N]%38(CC[O]%31%34)CC[OH]%35)C(=[N]7O)C)([O]=C(O%36)C(C)(C)C)([O]=C(O%40)C(C)(C)C)[O]%37C)[N](=C(C)C%33=N[N]%32=Cc1cc(C)cc(c%291)C[N]%28(CC[OH]%25)CC[O]%21%24)O)([O]=C(O%26)C(C)(C)C)(OC(=[O]%30)C(C)(C)C)[O]%27C)[N](=C(C)C%23=N[N]%22=Cc1cc(C)cc(c%191)C[N]%18(CC[OH]%13)CC[O]%10%14)O)([O]=C(O%15)C(C)(C)C)(OC(=[O]%20)C(C)(C)C)[O]%16C)([O]=C(O3)C(C)(C)C)([O]=C(O9)C(C)(C)C)[O]4C.OC.OC.OC.OC.OC.OC.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: 17.936 ± 0.005 Å
• b: 18.337 ± 0.005 Å
• c: 26.005 ± 0.005 Å
• α: 72.163 ± 0.005°
• β: 73.427 ± 0.005°
• γ: 65.49 ± 0.005°
• Cell volume: 7284 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No