Information card for entry 4304682

Structure parameters

• Formula: C24 H27 Mn3 N12 Ni O10
• Calculated formula: C24 H27 Mn3 N12 Ni O10
• SMILES: C1[O]23[Mn]456([O]=C(C)O[Mn]783(N=N#N)[O]4[Mn]3([O]79[Ni]42([n]2ccccc12)([n]1c(C[O]634)cccc1)[n]1c(C9)cccc1)([O]=C(C)O5)(N=N#N)OC(C)=[O]8)N=N#N
• Title of publication: Heterometallic Integer-Spin Analogues of S=9/2 Mn4 Cubane Single-Molecule Magnets
• Authors of publication: Patrick L. Feng; Christopher C. Beedle; Changhyun Koo; Wolfgang Wernsdorfer; Motohiro Nakano; Stephen Hill; David N. Hendrickson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3188 - 3204
• a: 23.469 ± 0.006 Å
• b: 23.469 ± 0.006 Å
• c: 23.469 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12927 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 0.842
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No