Information card for entry 7118285

Structure parameters

• Formula: C110 H108 Dy7 N24 O39 P3
• Calculated formula: C110 H108 Dy7 N24 O39 P3
• SMILES: [Dy]1234567[N]8=Cc9c%10c(ccc9)[O]([Dy]9%11%12%13%14([n]%15c(cncc%15)C(=N[N]1=Cc1c(c(ccc1)OC)O7)[O]69)([O]3P1(c3c6ccccc6ccc3)=[O][Dy]3679%15([n]%16c(C(=[N]8)[O]47)cncc%16)([n]4ccncc4C4=N[N]7[Dy]8%16%17([n]%18c(C%19=N[N]%20[Dy]%21%22%23%24([N](=CC=%20)N=C%20c%25cncc[n]%25[Dy]%25%26%27%28([N](=Cc%29c(c(ccc%29)OC)O%25)N=C%25c%29cncc[n]%29[Dy]%29(O1)([O]%11C(C)=[O]%13)([O]%12P(c1c%11c(ccc1)cccc%11)([O]%26%29)=[O]%24)([O]%27%25)([O]=C(C)O%28)[O]=C(C)O%14)([O]%21%20)[O]%22=C(C)[O]8%23)([OH]C)([O]=P(c1cccc8c1cccc8)([O]3%16)[O]26)[O]%17%19)cncc%18)(Oc1c(cccc1C=7)OC)([O]=C(C)O9)[O]%154)[OH]C)[O]5%10)C.CO.CO.OC.OC
• Title of publication: Cyclic single-molecule magnets: from the odd-numbered heptanuclear to a dimer of heptanuclear dysprosium clusters.
• Authors of publication: Tian, Haiquan; Bao, Song-Song; Zheng, Li-Min
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2314 - 2317
• a: 14.7481 ± 0.0015 Å
• b: 33.056 ± 0.003 Å
• c: 25.607 ± 0.003 Å
• α: 90°
• β: 104.153 ± 0.002°
• γ: 90°
• Cell volume: 12105 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1325
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.18
• Weighted residual factors for all reflections included in the refinement: 0.2131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No