Information card for entry 2016851

Structure parameters

• Chemical name: <i>catena</i>-Poly[[dichloridomercury(II)]-μ-1-(2-pyridylmethyl)- 1<i>H</i>-benzotriazole]
• Formula: C12 H10 Cl2 Hg N4
• Calculated formula: C12 H10 Cl2 Hg N4
• SMILES: [Hg]([n]1ccccc1Cn1c2ccccc2nn1)(Cl)(Cl)[n]1c2c(cccc2)n(Cc2cccc[n]2[Hg](Cl)Cl)n1
• Title of publication: <i>catena</i>-Poly[[dichloridomercury(II)]-μ-1-(2-pyridylmethyl)-1<i>H</i>-benzotriazole]: the effect of different metal centers on the self-assembly of coordination complexes
• Authors of publication: Liu, Chun-Sen; Zhou, Li-Ming; Guo, Liang-Qi; Ma, Song-Tao; Fang, Shao-Ming
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m394 - m397
• a: 7.8769 ± 0.0016 Å
• b: 8.8723 ± 0.0018 Å
• c: 11.13 ± 0.002 Å
• α: 102.88 ± 0.03°
• β: 98.22 ± 0.03°
• γ: 109.7 ± 0.03°
• Cell volume: 693.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes