Information card for entry 7041644

Structure parameters

• Formula: C26 H20 N10 Ni S2
• Calculated formula: C26 H20 N10 Ni S2
• Title of publication: A Ni-based MOF for selective detection and removal of Hg(2+) in aqueous medium: a facile strategy.
• Authors of publication: Halder, Shibashis; Mondal, John; Ortega-Castro, Joaquín; Frontera, Antonio; Roy, Partha
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 6
• Pages of publication: 1943 - 1950
• a: 9.976 ± 0.005 Å
• b: 12.292 ± 0.005 Å
• c: 12.366 ± 0.005 Å
• α: 96.422 ± 0.005°
• β: 111.407 ± 0.005°
• γ: 92.186 ± 0.005°
• Cell volume: 1397.8 ± 1.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0844
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No