Information card for entry 4516607

Structure parameters

• Formula: C12 H6 Se6
• Calculated formula: C12 H6 Se6
• SMILES: c1[se]c(cc1)C1=C2C(=C(c3ccc[se]3)[Se][Se]2)[Se][Se]1
• 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: 24.64 ± 0.006 Å
• b: 11.0769 ± 0.0015 Å
• c: 5.6402 ± 0.0007 Å
• α: 90°
• β: 93.124 ± 0.016°
• γ: 90°
• Cell volume: 1537.1 ± 0.5 ų
• Cell temperature: 295.02 ± 0.1 K
• Ambient diffraction temperature: 295.02 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No