Information card for entry 4311490

Structure parameters

• Formula: C46 H41 Br2 Cl2 Mn N8 Ni O11
• Calculated formula: C46 H41 Br2 Cl2 Mn N8 Ni O11
• SMILES: Brc1cc2C=[N]3[Mn]4(Oc2cc1)(Oc1c(C=[N]4C(C3(C)C)(C)C)cc(Br)cc1)O[N]1[Ni]23([n]4c(cccc4)c4[n]2cccc4)([n]2c(C=1)cccc2)[n]1ccccc1c1[n]3cccc1.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: 12.8276 ± 0.0003 Å
• b: 19.095 ± 0.0004 Å
• c: 20.3129 ± 0.0005 Å
• α: 90°
• β: 94.1396 ± 0.0012°
• γ: 90°
• Cell volume: 4962.5 ± 0.2 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 8
• 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: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.15
• 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