Information card for entry 7037157

Structure parameters

• Formula: C62 H62 Dy2 N8 O22
• Calculated formula: C62 H62 Dy2 N8 O22
• SMILES: C1(=[O][Dy]234567([N](=Cc8c9[O]3[Dy]3%10%11([N](=Cc%12c([O]4%10)c([O]5C)ccc%12)NC(N/N=C/c4c(c(OC)ccc4)O)=[O]%11)([O]=C(c4ccccc4)O3)([O](C)c9ccc8)([O]=C(O7)c3ccccc3)OC(=[O]6)c3ccccc3)NC(=[O]2)N/N=C/c2c(c(OC)ccc2)O)O1)c1ccccc1.O.O.O.O
• Title of publication: A Dy2 single-molecule magnet with benzoate anions and phenol-O(-) bridging groups.
• Authors of publication: Ke, Hongshan; Zhang, Sheng; Li, Xin; Wei, Qing; Xie, Gang; Wang, Wenyuan; Chen, Sanping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 48
• Pages of publication: 21025 - 21031
• a: 13.432 ± 0.002 Å
• b: 10.503 ± 0.002 Å
• c: 24.428 ± 0.004 Å
• α: 90°
• β: 98.478 ± 0.004°
• γ: 90°
• Cell volume: 3408.6 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1904
• Residual factor for significantly intense reflections: 0.1549
• Weighted residual factors for significantly intense reflections: 0.2116
• Weighted residual factors for all reflections included in the refinement: 0.2222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.577
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No