Information card for entry 2231146

Structure parameters

• Chemical name: <i>catena</i>-Poly[[dibromidomercury(II)]-μ-3,6-bis(2- pyridylsulfanyl)pyridazine-κ^2^<i>N</i>^3^:<i>N</i>^6^]
• Formula: C14 H10 Br2 Hg N4 S2
• Calculated formula: C14 H10 Br2 Hg N4 S2
• SMILES: [Hg](Br)(Br)([n]1c(cccc1)Sc1nnc(cc1)Sc1[n](cccc1)[Hg](Br)Br)[n]1c(Sc2nnc(Sc3ncccc3)cc2)cccc1
• Title of publication: <i>catena</i>-Poly[[dibromidomercury(II)]-μ-3,6-bis(2-pyridylsulfanyl)pyridazine-κ^2^<i>N</i>^3^:<i>N</i>^6^]
• Authors of publication: Zhu, Xue-Hua; Yang, Xiao-Yuan; Song, Rui-Feng; Li, Hai-Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1111
• a: 16.393 ± 0.003 Å
• b: 12.4954 ± 0.0019 Å
• c: 9.7648 ± 0.0016 Å
• α: 90°
• β: 117.444 ± 0.003°
• γ: 90°
• Cell volume: 1775.1 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes