Information card for entry 7016501

Structure parameters

• Formula: C54 H66 Gd4 N14 O26
• Calculated formula: C54 H62 Gd4 N14 O26
• SMILES: c1cccc2C3=N[N]4=Cc5cccc6[n]5[Gd]5789%10%114([N](N=C4[O]7[Gd]7%12%13%14([n]%15c4cccc%15)([OH]8[Gd]48([n]12)([O]35)(OC(=O)C)([O]%10C(=[O]9)C)([OH2])[n]1c(C2=N[N]3=Cc5[n]9c(C=[N]%10N=C(c%15cccc[n]%13%15)[O]%14[Gd]39%10%13%14([O]42)([OH]8%12)([O]=C([O]7%13)C)[O]=C(O%14)C)ccc5)cccc1)(OC(=O)C)[OH2])=C6)[O]=C(O%11)C.CO.CO.O.CO.CO.O
• Title of publication: A series of tetranuclear lanthanide complexes comprising two edge-sharing triangular units with field-induced slow magnetic relaxation for Dy(4) species.
• Authors of publication: Xue, Shufang; Zhao, Lang; Guo, Yun-Nan; Deng, Ruiping; Guo, Yang; Tang, Jinkui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 33
• Pages of publication: 8347 - 8352
• a: 25.3556 ± 0.0015 Å
• b: 12.8097 ± 0.0007 Å
• c: 24.642 ± 0.002 Å
• α: 90°
• β: 118.556 ± 0.001°
• γ: 90°
• Cell volume: 7030 ± 0.8 ų
• Cell temperature: 191 ± 2 K
• Ambient diffraction temperature: 191 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No