Information card for entry 7125155

Structure parameters

• Common name: IBPSSEt
• Chemical name: 8-iodo-4-ethyl-4H-bis[1,2,3]diselenazolo[4,5-b:5',4'-e]pyridin-2-yl
• Formula: C7 H5 I N3 Se4
• Calculated formula: C7 H5 I N3 Se4
• Title of publication: Pushing T_C to 27.5 K in a heavy atom radical ferromagnet.
• Authors of publication: Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 96
• Pages of publication: 13877 - 13880
• a: 16.4704 ± 0.0006 Å
• b: 16.4704 ± 0.0006 Å
• c: 4.2345 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1148.71 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 113
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No