Information card for entry 7222132

Structure parameters

• Formula: C16 H12 Hg N6 O4
• Calculated formula: C16 H12 Hg N6 O4
• SMILES: [Hg]12(ON=[O]1)(ON=[O]2)([n]1c2ccccc2ncc1)[n]1c2ccccc2ncc1
• 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: 8.441 ± 0.008 Å
• b: 8.833 ± 0.009 Å
• c: 12.787 ± 0.012 Å
• α: 80.631 ± 0.017°
• β: 83.312 ± 0.017°
• γ: 73.966 ± 0.016°
• Cell volume: 901.5 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0679
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No