Information card for entry 2231918

Structure parameters

• Chemical name: Diiodido(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')mercury(II)
• Formula: C12 H6 Hg I2 N2 O2
• Calculated formula: C12 H6 Hg I2 N2 O2
• SMILES: [Hg]1(I)(I)[n]2cccc3c2c2[n]1cccc2C(=O)C3=O
• Title of publication: Diiodido(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')mercury(II)
• Authors of publication: Ghaemi, Akbar; Shojaiean, Rezvan; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1449 - m1450
• a: 11.7941 ± 0.0003 Å
• b: 8.1725 ± 0.0001 Å
• c: 15.3982 ± 0.0003 Å
• α: 90°
• β: 108.298 ± 0.002°
• γ: 90°
• Cell volume: 1409.14 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0228
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes