Information card for entry 7209514

Structure parameters

• Common name: Compound X
• Formula: C28 H28 Co1.5 N12 O10 W
• Calculated formula: C28 H28 Co1.5 N12 O10 W
• Title of publication: Magnetic anisotropy of CoII‒WV ferromagnet: single crystal and ab initio study
• Authors of publication: Chorazy, Szymon; Podgajny, Robert; Majcher, Anna M.; Nitek, Wojciech; Rams, Michał; Suturina, Elizaveta A.; Ungur, Liviu; Chibotaru, Liviu F.; Sieklucka, Barbara
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 13
• Pages of publication: 2378
• a: 10.457 ± 0.0001 Å
• b: 19.097 ± 0.0002 Å
• c: 17.707 ± 0.0002 Å
• α: 90°
• β: 91.212 ± 0.001°
• γ: 90°
• Cell volume: 3535.25 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for significantly intense reflections: 69.706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No