Information card for entry 4502496

Structure parameters

• Formula: C24 H12 Cl2 Hg N4 O4
• Calculated formula: C24 H12 Cl2 Hg N4 O4
• SMILES: c12c3c4ccc[n]3[Hg]3([n]1cccc2C(=O)C4=O)(Cl)([n]1cccc2c1c1c(ccc[n]31)C(=O)C2=O)Cl
• Title of publication: A Molecular Helix: Self-Assembly of Coordination Polymers from d10Metal Ions and 1,10-Phenanthroline-5,6-dione (pdon) with the Bridges of SCN−and Cl−Anions
• Authors of publication: Ma, Qi; Zhu, Miaoli; Yuan, Caixia; Feng, Sisi; Lu, Liping; Wang, Qingming
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 1706
• a: 42.098 ± 0.004 Å
• b: 8.3101 ± 0.0008 Å
• c: 12.9061 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4515.1 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.038
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No