Information card for entry 4111152

Structure parameters

• Common name: HBPSTMe
• Formula: C6 H4 N3 S2 Se2
• Calculated formula: C6 H4 N3 S2 Se2
• Title of publication: Resonance Stabilized Bisdiselenazolyls as Neutral Radical Conductors
• Authors of publication: Jaclyn L. Brusso; Kristina Cvrkalj; Alicea A. Leitch; Richard T. Oakley; Robert W. Reed; Craig M. Robertson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 15080 - 15081
• a: 4.1107 ± 0.00004 Å
• b: 11.7953 ± 0.0001 Å
• c: 18.6524 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 904.398 ± 0.015 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0222
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No