Information card for entry 4311491

Structure parameters

• Formula: C48 H47 Cl2 Mn N8 Ni O13
• Calculated formula: C48 H47 Cl2 Mn N8 Ni O13
• SMILES: [Ni]123([N](O[Mn]456Oc7c(C=[N]6C(C([N]5=Cc5c(O4)ccc(OC)c5)(C)C)(C)C)cc(OC)cc7)=Cc4[n]1cccc4)([n]1c(cccc1)c1[n]3cccc1)[n]1ccccc1c1[n]2cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Linear NiII-MnIII2-NiII Tetramers: An Oligomeric Component of the MnIII2NiII Single-Chain Magnets
• Authors of publication: Hitoshi Miyasaka; Tomohiro Nezu; Kunihisa Sugimoto; Ken-ichi Sugiura; Masahiro Yamashita; Rodolphe Clérac
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5486 - 5488
• a: 13.206 ± 0.005 Å
• b: 18.707 ± 0.008 Å
• c: 20.103 ± 0.008 Å
• α: 90°
• β: 96.578 ± 0.006°
• γ: 90°
• Cell volume: 4934 ± 3 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No