Information card for entry 7220860

Structure parameters

• Formula: C32 H49 Cl3 Ga N S2 Si2
• Calculated formula: C32 H49 Cl3 Ga N S2 Si2
• SMILES: [Ga]12(c3c(c4sc([Si](C)(C)C)cc24)sc([Si](C)(C)C)c3)c2c(cc(C(C)(C)C)cc2C(C)(C)C)C[N]1(C)C.ClC(Cl)Cl
• Title of publication: High HOMO levels and narrow energy band gaps of dithienogalloles
• Authors of publication: Matsumoto, Takuya; Tanaka, Kazuo; Chujo, Yoshiki
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 68
• Pages of publication: 55406
• a: 11.6396 ± 0.0007 Å
• b: 14.2359 ± 0.0009 Å
• c: 23.9678 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3971.5 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• 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: 0.1402
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No