Information card for entry 4516608

Structure parameters

• Formula: C12 H15 S Se2
• Calculated formula: C12 H15 S Se2
• Title of publication: Selenium-Containing Fused Bicyclic Heterocycle Diselenolodiselenole: Field Effect Transistor Study and Structure-Property Relationship.
• Authors of publication: Debnath, Sashi; Chithiravel, Sundaresan; Sharma, Sagar; Bedi, Anjan; Krishnamoorthy, Kothandam; Zade, Sanjio S.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2016
• Journal volume: 8
• Journal issue: 28
• Pages of publication: 18222 - 18230
• a: 8.0883 ± 0.0007 Å
• b: 8.9204 ± 0.0009 Å
• c: 9.4575 ± 0.0008 Å
• α: 71.489 ± 0.008°
• β: 71.932 ± 0.008°
• γ: 86.925 ± 0.008°
• Cell volume: 614.39 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No