Information card for entry 4312706

Structure parameters

• Formula: C62 H64 F12 Mn2 N10 Ni O6 P2
• Calculated formula: C62 H64 F12 Mn2 N10 Ni O6 P2
• SMILES: [Ni]12([N](O[Mn]345Oc6ccccc6C=[N]5C(C)(C)C([N]4=Cc4c(O3)cccc4)(C)C)=Cc3[n]1cccc3)([n]1ccccc1)([n]1ccccc1)[N](O[Mn]134Oc5ccccc5C=[N]3C(C)(C)C([N]4=Cc3ccccc3O1)(C)C)=Cc1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: [Mn2(saltmen)2Ni(pao)2(L)2](A)2 with L = Pyridine, 4-Picoline, 4-tert-Butylpyridine, N-Methylimidazole and A = ClO4-, BF4-, PF6-, ReO4-: A Family of Single-Chain Magnets
• Authors of publication: Hitoshi Miyasaka; Rodolphe Clérac; Kaori Mizushima; Ken-ichi Sugiura; Masahiro Yamashita; Wolfgang Wernsdorfer; Claude Coulon
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8203 - 8213
• a: 21.173 ± 0.003 Å
• b: 16.097 ± 0.001 Å
• c: 19.024 ± 0.002 Å
• α: 90°
• β: 98.946 ± 0.004°
• γ: 90°
• Cell volume: 6404.9 ± 1.2 ų
• Cell temperature: 103 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No