Information card for entry 2234471

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis(pyridine-3-carboxylic acid-κ<i>N</i>)mercury(II)]-di-μ-chlorido]
• Formula: C12 H10 Cl2 Hg N2 O4
• Calculated formula: C12 H10 Cl2 Hg N2 O4
• SMILES: [Hg]1([n]2cccc(C(=O)O)c2)([n]2cccc(C(=O)O)c2)[Cl][Hg]([Cl]1)([n]1cccc(C(=O)O)c1)([n]1cccc(C(=O)O)c1)(Cl)Cl
• Title of publication: <i>catena</i>-Poly[[bis(pyridine-3-carboxylic acid-κ<i>N</i>)mercury(II)]-di-μ-chlorido]
• Authors of publication: Shirvan, Sadif A.; Haydari Dezfuli, Sara
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m516
• a: 3.8298 ± 0.0005 Å
• b: 6.5626 ± 0.0009 Å
• c: 14.5831 ± 0.0018 Å
• α: 98.001 ± 0.01°
• β: 95.315 ± 0.011°
• γ: 92.963 ± 0.011°
• Cell volume: 360.62 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0319
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes