Information card for entry 1514361

Structure parameters

• Formula: C220 H60 Cl8 Dy N12 O0
• Calculated formula: C220 H60 Cl8 Dy N12
• SMILES: c12=C(c3ccc4C(=c5ccc6C(=c7ccc8=C(c(cc1)[n]2[Dy]129(n78)([n]56)(n34)n3c4=Nc5c6c(c(=Nc7c8c(c(N=c%10c%11c(c(N=c3c3c4cccc3)[n]1%10)cccc%11)n27)cccc8)[n]95)cccc6)c1ccc(cc1)Cl)c1ccc(cc1)Cl)c1ccc(cc1)Cl)c1ccc(cc1)Cl.c12c3c4c5c1c1c6c7c5c5c8c4c4c9c3c3c%10c2c2c1c1c6c6c%11c7c5c5c7c8c4c4c8c9c3c3c9c%10c2c2c1c1c6c6c%11c5c5c7c4c4c8c3c3c9c2c1c1c6c5c4c31.c1(ccccc1)Cl.Clc1ccccc1.Clc1ccccc1.c1(ccccc1)Cl.c12c3c4c5c6c7c8c9c%10c6c6c5c1c1c5c%11c%12c%13c%14c%15c%16c(c%10c%14c6c1%13)c9c1c6c9c%10c%13c(c86)c7c4c4c3c3c6c(c%10c7c8c%10c%14c(c%16c1c9c7%14)c%15c%12c%10c%11c(c68)c3c25)c%134
• Title of publication: Co-crystallized fullerene and a mixed (phthalocyaninato)(porphyrinato) dysprosium double-decker SMM
• Authors of publication: Wang, Hailong; Qian, Kang; Qi, Dongdong; Cao, Wei; Wang, Kang; Gao, Song; Jiang, Jianzhuang
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 8
• Pages of publication: 3214
• a: 19.3998 ± 0.0002 Å
• b: 28.3596 ± 0.0003 Å
• c: 24.7203 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13600.4 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.1245
• Residual factor for significantly intense reflections: 0.1191
• Weighted residual factors for significantly intense reflections: 0.2587
• Weighted residual factors for all reflections included in the refinement: 0.261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No