Information card for entry 7016504

Structure parameters

• Formula: C54 H62 Ho4 N14 O24
• Calculated formula: C54 H62 Ho4 N14 O24
• SMILES: c1cccc2C3=N[N]4=Cc5cccc6[n]5[Ho]5789%10%114([O]=C(O9)C)[O]3[Ho]349([n]12)(OC(=O)C)([O]7C(=[O]8)C)([OH2])[OH]5[Ho]1257([n]8c(C(=N[N]%10=C6)[O]2%11)cccc8)(OC(=O)C)([OH2])[n]2ccccc2C2=N[N]6=Cc8cccc%10[n]8[Ho]68%11%12([N](N=C([O]48)c4[n]3cccc4)=C%10)([O]12)([OH]95)([O]7C(=[O]%11)C)[O]=C(O%12)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: 25.4133 ± 0.0017 Å
• b: 12.6734 ± 0.0008 Å
• c: 24.6642 ± 0.0016 Å
• α: 90°
• β: 119.063 ± 0.001°
• γ: 90°
• Cell volume: 6943.5 ± 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: 0.095
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No