Information card for entry 2238403

Structure parameters

• Common name: [EMIM]~2~P~2~Se~8~
• Chemical name: Bis(1-ethyl-3-methylimidazolium) 3,6-diselanylidene-1,2,4,5-tetraselena-3,6-diphosphacyclohexane-3,6-diselenolate
• Formula: C12 H22 N4 P2 Se8
• Calculated formula: C12 H22 N4 P2 Se8
• SMILES: c1n(cc[n+]1C)CC.P1(=[Se])([Se][Se]P([Se][Se]1)(=[Se])[Se-])[Se-].c1n(cc[n+]1C)CC
• Title of publication: Bis(1-ethyl-3-methylimidazolium) 3,6-diselanylidene-1,2,4,5-tetraselena-3,6-diphosphacyclohexane-3,6-diselenolate
• Authors of publication: Cody, Jason A.; Alexander, Grant C. B.; Guillot-Deudon, Catherine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1359 - o1360
• a: 7.8885 ± 0.0004 Å
• b: 9.3783 ± 0.0004 Å
• c: 9.8039 ± 0.0005 Å
• α: 110.39 ± 0.003°
• β: 96.395 ± 0.004°
• γ: 102.992 ± 0.005°
• Cell volume: 648 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes