Information card for entry 7054336

Structure parameters

• Formula: C28 H30 N4 S4 Zn
• Calculated formula: C28 H30 N4 S4 Zn
• SMILES: [Zn]12([S]=C(S1)N(Cc1cccn1C)Cc1ccccc1)[S]=C(S2)N(Cc1ccccc1)Cc1cccn1C
• 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: 10.751 ± 0.002 Å
• b: 7.834 ± 0.003 Å
• c: 18.396 ± 0.003 Å
• α: 67.026 ± 0.016°
• β: 81.671 ± 0.017°
• γ: 84.999 ± 0.015°
• Cell volume: 1410.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1156
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.2214
• Weighted residual factors for all reflections included in the refinement: 0.2441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7054228
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No