Information card for entry 2224305

Structure parameters

• Chemical name: Dichloridobis(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')mercury(II)
• Formula: C24 H12 Cl2 Hg N4 O4
• Calculated formula: C24 H12 Cl2 Hg N4 O4
• SMILES: c12ccc[n]3[Hg]4(Cl)([n]5cccc(C(=O)C1=O)c5c23)([n]1cccc2C(=O)C(=O)c3ccc[n]4c3c12)Cl
• Title of publication: Dichloridobis(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')mercury(II)
• Authors of publication: Figueiras, Carlos A. L.; Bomfim, João A. S.; Howie, R. Alan; Tiekink, Edward R. T.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1645
• a: 8.2261 ± 0.0002 Å
• b: 42.6761 ± 0.0011 Å
• c: 12.6108 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4427.12 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes