Information card for entry 4348276

Structure parameters

• Formula: C64 H94 Co2 Gd4 N8 O30
• Calculated formula: C64 H94 Co2 Gd4 N8 O30
• SMILES: C1[N]2[Co]3456[O](C1)[Gd]1789%10%11([O]%123CC[N]3=Cc%13c%14[O]%15[Gd]%16%17%18%123([O]41CC[NH2]5)([OH]8[Gd]13458%12([N](=Cc%19c([O]94)c([O]%10C)ccc%19)CC[O]45[Co]59%10%19[N](=Cc%20c(c(ccc%20)[O]3C)[O]19)CC[O]%10[Gd]1%154([O](c%14ccc%13)C)([O]8%19CC[NH2]5)([O]=C(O%17)C(C)(C)C)([O]=C(C(C)(C)C)O1)[OH]%18%12)[O]=C(O%11)C(C)(C)C)[O]6c1c(cccc1[O]%16C)C=2)[O]=C(C(C)(C)C)O7.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Synthesis, structures, and magnetic properties of a series of new heterometallic hexanuclear Co2Ln4(Ln = Eu, Gd, Tb and Dy) clusters
• Authors of publication: Tian, Chong-Bin; Yuan, Da-Qiang; Han, Yun-Hu; Li, Zhi-Hua; Lin, Ping; Du, Shao-Wu
• Journal of publication: Inorg. Chem. Front.
• Year of publication: 2014
• Journal volume: 1
• Journal issue: 9
• Pages of publication: 695
• a: 11.628 ± 0.004 Å
• b: 13.997 ± 0.004 Å
• c: 15.441 ± 0.005 Å
• α: 74.478 ± 0.014°
• β: 68.117 ± 0.012°
• γ: 69.735 ± 0.012°
• Cell volume: 2159.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0589
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No