Information card for entry 4112473

Structure parameters

• Formula: C16 H14 Mn1.5 N12 O3 W
• Calculated formula: C16 H12 Mn1.5 N12 O3 W
• SMILES: [W]1(C#[N][Mn]([OH2])[n]2c[n]([Mn]([OH2])[N]#C1)ccc2)(C#N)(C#N)(C#N)(C#N)(C#N)C#N.O.n1cnccc1
• Title of publication: Manganese(II) Octacyanotungstate(V)-Based Magnet Containing a Noncoordinated Aromatic Molecule
• Authors of publication: Toshinori Kashiwagi; Shin-ichi Ohkoshi; Hidetake Seino; Yasushi Mizobe; Kazuhito Hashimoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 5024 - 5025
• a: 7.247 ± 0.002 Å
• b: 14.983 ± 0.005 Å
• c: 22.489 ± 0.007 Å
• α: 90°
• β: 90.905 ± 0.003°
• γ: 90°
• Cell volume: 2441.6 ± 1.3 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 6
• 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: 0.026
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No