Information card for entry 7222134

Structure parameters

• Formula: C10 H6 Hg N4
• Calculated formula: C10 H6 Hg N4
• SMILES: [Hg](C#N)C#N.n1ccnc2ccccc12
• Title of publication: Two reversible transformable mercury(II) coordination polymers as efficient adsorbents for removal of dibenzothiophene
• Authors of publication: Hou, yong; Masoomi, Mohammad Yaser; Bagheri, Minoo; Morsali, Ali; Joo, Sang Woo
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 10.135 ± 0.0005 Å
• b: 10.1437 ± 0.0005 Å
• c: 11.0965 ± 0.0006 Å
• α: 88.561 ± 0.003°
• β: 88.606 ± 0.002°
• γ: 68.603 ± 0.002°
• Cell volume: 1061.69 ± 0.09 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No