Information card for entry 4311489

Structure parameters

• Formula: C46 H41 Cl4 Mn N8 Ni O11
• Calculated formula: C46 H41 Cl4 Mn N8 Ni O11
• SMILES: [N]1(=Cc2[n](cccc2)[Ni]231([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1)O[Mn]123Oc4c(cc(cc4)Cl)C=[N]2C(C(C)([N]1=Cc1c(ccc(c1)Cl)O3)C)(C)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=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: 12.796 ± 0.006 Å
• b: 19.069 ± 0.009 Å
• c: 20.225 ± 0.009 Å
• α: 90°
• β: 94.706 ± 0.002°
• γ: 90°
• Cell volume: 4918 ± 4 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: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No