Information card for entry 4077057

Structure parameters

• Formula: C30 H32 N2 O2 S2 Si2
• Calculated formula: C30 H32 N2 O2 S2 Si2
• SMILES: c1(c(c2ccc(cc2)OC)nc(s1)c1nc(c(C#C[Si](C)(C)C)s1)c1ccc(OC)cc1)C#C[Si](C)(C)C
• 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: 5.7604 ± 0.0006 Å
• b: 11.6894 ± 0.0012 Å
• c: 11.9504 ± 0.0013 Å
• α: 97.465 ± 0.002°
• β: 100.537 ± 0.002°
• γ: 97.548 ± 0.002°
• Cell volume: 774.42 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No