Information card for entry 2239523

Structure parameters

• Chemical name: <i>catena</i>-Poly[[dichloridomercury(II)]-μ-1,4-bis[2-(pyridin-4-yl)ethynyl]benzene-κ^2^<i>N</i>:<i>N'</i>]
• Formula: C20 H12 Cl2 Hg N2
• Calculated formula: C20 H12 Cl2 Hg N2
• SMILES: [Hg](Cl)(Cl)[n]1ccc(cc1)C#Cc1ccc(cc1)C#Cc1cc[n](cc1)[Hg](Cl)(Cl)[n]1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccncc1
• Title of publication: <i>catena</i>-Poly[[dichloridomercury(II)]-μ-1,4-bis[2-(pyridin-4-yl)ethynyl]benzene-κ^2^<i>N</i>:<i>N</i>']
• Authors of publication: Wang, Bin; Li, Ming; Xie, Ya-bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: m208
• a: 12.285 ± 0.003 Å
• b: 4.8482 ± 0.001 Å
• c: 15.271 ± 0.003 Å
• α: 90°
• β: 98 ± 0.03°
• γ: 90°
• Cell volume: 900.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes