Information card for entry 4350141

Structure parameters

• Formula: C69 H68 Mn2 N12 O9
• Calculated formula: C69 H64 Mn2 N12 O9
• Title of publication: From an S(T) = 3 single-molecule magnet to diamagnetic ground state depending on the molecular packing of Mn(III)salen-type dimers decorated by N,N'-dicyano-1,4-naphthoquinonediiminate radicals.
• Authors of publication: Kachi-Terajima, Chihiro; Miyasaka, Hitoshi; Sugiura, Ken-Ichi; Clérac, Rodolphe; Nojiri, Hiroyuki
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4381 - 4390
• a: 8.107 ± 0.006 Å
• b: 14.232 ± 0.01 Å
• c: 14.612 ± 0.009 Å
• α: 71.95 ± 0.03°
• β: 68.98 ± 0.03°
• γ: 83.82 ± 0.04°
• Cell volume: 1496.3 ± 1.8 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.199
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No