Information card for entry 1553666

Structure parameters

• Formula: C20 H14 Hg I2 N2 S2
• Calculated formula: C20 H14 Hg I2 N2 S2
• SMILES: C1(=C(c2cccs2)c2cccs2)c2cccc[n]2[Hg](I)(I)[n]2c1cccc2
• Title of publication: A turn-on AIE active fluorescent sensor for Hg2+ by combination of 1,1-bis(2-pyridyl)ethylene and thiophene/bithiophene fragments
• Authors of publication: Gabr, Moustafa T.; Christopher Pigge, F.
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 1
• Journal issue: 8
• Pages of publication: 1654
• a: 10.2226 ± 0.001 Å
• b: 10.3008 ± 0.001 Å
• c: 12.2126 ± 0.0012 Å
• α: 74.477 ± 0.005°
• β: 67.707 ± 0.005°
• γ: 71.185 ± 0.005°
• Cell volume: 1110.69 ± 0.19 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190.15 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: 0.0275
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No