Information card for entry 7054223

Structure parameters

• Formula: C19 H20 Hg N3 O S2
• Calculated formula: C19 H20 Hg N3 O S2
• SMILES: [Hg]1(SC(=[S]1)N(Cc1ccco1)Cc1ccncc1)c1ccccc1.OC
• 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: 8.863 ± 0.003 Å
• b: 10.737 ± 0.004 Å
• c: 11.639 ± 0.003 Å
• α: 102.46 ± 0.03°
• β: 100.45 ± 0.02°
• γ: 101.79 ± 0.03°
• Cell volume: 1028.8 ± 0.6 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: 0.1191
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.1959
• Weighted residual factors for all reflections included in the refinement: 0.2366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No