Information card for entry 4077056

Structure parameters

• Formula: C24 H36 N2 S2 Si2
• Calculated formula: C24 H36 N2 S2 Si2
• SMILES: C(C)(C)(C)c1c(C#C[Si](C)(C)C)sc(n1)c1nc(C(C)(C)C)c(C#C[Si](C)(C)C)s1
• Title of publication: Bis(alkynyl) Mercury(II) Complexes of Oligothiophenes and Bithiazoles
• Authors of publication: Wong, Wai-Yeung; Choi, Ka-Ho; Lu, Guo-Liang; Lin, Zhenyang
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 21
• Pages of publication: 4475
• a: 5.9333 ± 0.0008 Å
• b: 20.621 ± 0.003 Å
• c: 11.8559 ± 0.0016 Å
• α: 90°
• β: 94.301 ± 0.002°
• γ: 90°
• Cell volume: 1446.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No