Information card for entry 7054224

Structure parameters

• Formula: C28 H22 Hg N4 S4
• Calculated formula: C28 H22 Hg N4 S4
• SMILES: C1(=[S][Hg]2(S1)SC(=[S]2)N(Cc1ccccc1)Cc1cnccc1)N(Cc1cnccc1)Cc1ccccc1
• Title of publication: Effect of pyridyl substituents leading to the formation of green luminescent mercury(ii) coordination polymers, zinc(ii) dimers and a monomer
• Authors of publication: Singh, Vikram; Kumar, Vinod; Gupta, Ajit N.; Drew, Michael G. B.; Singh, Nanhai
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 8
• Pages of publication: 3737
• a: 33.117 ± 0.004 Å
• b: 4.6178 ± 0.001 Å
• c: 19.233 ± 0.003 Å
• α: 90°
• β: 109.774 ± 0.016°
• γ: 90°
• Cell volume: 2767.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No