Information card for entry 4312707

Structure parameters

• Formula: C62 H64 Mn2 N10 Ni O14 Re2
• Calculated formula: C62 H62 Mn2 N10 Ni O14 Re2
• SMILES: [Re](=O)(=O)(=O)[O-].[Re](=O)(=O)(=O)[O-].[Ni]12([n]3cc[c]cc3)([n]3cc[c]cc3)([N](O[Mn]345Oc6ccccc6C=[N]4C(C)(C)C([N]5=Cc4ccccc4O3)(C)C)=Cc3[n]1cccc3)[N](O[Mn]134Oc5ccccc5C=[N]3C(C)(C)C([N]4=Cc3ccccc3O1)(C)C)=Cc1[n]2cccc1
• 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: 20.86 ± 0.009 Å
• b: 16.01 ± 0.006 Å
• c: 18.732 ± 0.008 Å
• α: 90°
• β: 98.115 ± 0.006°
• γ: 90°
• Cell volume: 6193 ± 4 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 7
• 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: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No