Information card for entry 7054333

Structure parameters

• Formula: C14 H12 N2 S
• Calculated formula: C14 H12 N2 S
• SMILES: S=c1n(cc2ccccn12)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: 6.9071 ± 0.0012 Å
• b: 13.1487 ± 0.0019 Å
• c: 26.875 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2440.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7054225
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No