Information card for entry 7054330

Structure parameters

• Formula: C60 H60 Hg2 N8 S8
• Calculated formula: C60 H60 Hg2 N8 S8
• 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: 8.401 ± 0.0019 Å
• b: 12.5882 ± 0.0019 Å
• c: 16.095 ± 0.002 Å
• α: 82.07 ± 0.013°
• β: 89.048 ± 0.015°
• γ: 86.522 ± 0.015°
• Cell volume: 1682.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7054222
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No