Information card for entry 4077059

Structure parameters

• Formula: C14 H10 Hg2 S2
• Calculated formula: C14 H10 Hg2 S2
• SMILES: C[Hg]C#Cc1ccc(c2ccc(C#C[Hg]C)s2)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: 8.5731 ± 0.0016 Å
• b: 8.925 ± 0.0017 Å
• c: 9.8628 ± 0.0018 Å
• α: 89.031 ± 0.004°
• β: 88.823 ± 0.004°
• γ: 73.136 ± 0.003°
• Cell volume: 722 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0719
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.1706
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No