Information card for entry 4349036

Structure parameters

• Formula: C332 H436 Cd2 Dy2 N40 O46
• Calculated formula: C332 H436 Cd2 Dy2 N40 O46
• SMILES: N1=c2[n]34c(=Nc5[n]67c(=Nc8c9c(c%10N=c%11[n]%12(c1c1cc(c(cc%111)OCCCC)OCCCC)[Cd]1%11%1336([n]36c%14=Nc%15[n]%161c(=Nc1c%17c(c%18N=c%19[n](c(c%20cc(c(OCCCC)cc%19%20)OCCCC)N=c3c3cc(c(cc%143)OCCCC)OCCCC)[Dy]3%14%196%16(n6c%16=Nc%20c%21c(cc(OCCCC)c(OCCCC)c%21)c(=Nc%21n3c(c3c%21cc(OCCCC)c(OCCCC)c3)N=c3c%21c(c(N=c6c6c%16cc(c(OCCCC)c6)OCCCC)[n]%143)cc(OCCCC)c(OCCCC)c%21)[n]%19%20)[n]%111%18)cc(c(OCCCC)c%17)OCCCC)c1c%15cc(OCCCC)c(c1)OCCCC)[n]8%10[Cd]1347%12%13[n]46c7N=c8c%10c(c%11=Nc%12[n]%133c(=Nc3n(c(c%14cc(c(OCCCC)cc3%14)OCCCC)N=c4c3cc(c(cc73)OCCCC)OCCCC)[Dy]3476%13([n]6c%13N=c%14c%15c(cc(OCCCC)c(OCCCC)c%15)c(=Nc%15[n]3c(=Nc3c%16c(c(N=c6c6c%13cc(c(OCCCC)c6)OCCCC)n43)cc(OCCCC)c(OCCCC)c%16)c3c%15cc(OCCCC)c(OCCCC)c3)n7%14)[n]18%11)c1c%12cc(OCCCC)c(c1)OCCCC)cc(c(OCCCC)c%10)OCCCC)cc(OCCCC)c(c9)OCCCC)c1c5cc(OCCCC)c(c1)OCCCC)c1cc(c(cc21)OCCCC)OCCCC.OCC.OCC.OCC.OCC.OCC.OCC
• Title of publication: Weak Dy^III-Dy^III Interactions in Dy^III-Phthalocyaninato Multiple-Decker Single-Molecule Magnets Effectively Suppress Magnetic Relaxation.
• Authors of publication: Horii, Yoji; Katoh, Keiichi; Cosquer, Goulven; Breedlove, Brian K.; Yamashita, Masahiro
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 22
• Pages of publication: 11782 - 11790
• a: 24.182 ± 0.001 Å
• b: 38.2416 ± 0.0014 Å
• c: 35.4693 ± 0.0019 Å
• α: 90°
• β: 99.723 ± 0.002°
• γ: 90°
• Cell volume: 32329 ± 2 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 6
• 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: 0.2193
• Residual factor for significantly intense reflections: 0.1101
• Weighted residual factors for significantly intense reflections: 0.2904
• Weighted residual factors for all reflections included in the refinement: 0.3771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No