Information card for entry 4339484

Structure parameters

• Formula: C29 H35 Cl6 Mn3 N12 O10 Zn
• Calculated formula: C27 H33 Mn3 N12 O10 Zn
• SMILES: C1c2cccc[n]2[Zn]2345[n]6c(C[O]74[Mn]489([O]%10[Mn]%11(N=N#N)([O]124)([O]=C(CC)O8)OC(CC)=[O][Mn]7%10(N=N#N)(OC(CC)=[O]9)[O]5%11Cc1cccc[n]31)N=N#N)cccc6
• Title of publication: Heterometallic cubane single-molecule magnets.
• Authors of publication: Feng, Patrick L.; Beedle, Christopher C.; Wernsdorfer, Wolfgang; Koo, Changhyun; Nakano, Motohiro; Hill, Stephen; Hendrickson, David N.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 20
• Pages of publication: 8126 - 8128
• a: 14.744 ± 0.002 Å
• b: 14.744 Å
• c: 35.186 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6624.2 ± 1.3 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No