Information card for entry 7054227

Structure parameters

• Formula: C36 H56 N4 O8 S8 Zn2
• Calculated formula: C36 H56 N4 O8 S8 Zn2
• SMILES: C1(=[S][Zn]23(S1)[S]=C(N1CCC(CC1)C(=O)OCC)[S]2[Zn]12([S]=C(N4CCC(CC4)C(=O)OCC)S1)[S]=C(N1CCC(CC1)C(=O)OCC)[S]32)N1CCC(CC1)C(=O)OCC
• 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: 9.5002 ± 0.0005 Å
• b: 10.9038 ± 0.0006 Å
• c: 12.1293 ± 0.0009 Å
• α: 81.21 ± 0.005°
• β: 72.113 ± 0.006°
• γ: 81.781 ± 0.004°
• Cell volume: 1175.5 ± 0.13 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: 0.1173
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No