Information card for entry 7125687

Structure parameters

• Formula: C6 H5 N O2 Se
• Calculated formula: C6 H5 N O2 Se
• Title of publication: In situ formation and solid-state oxidation of a triselenane NSeN-pincer MOF.
• Authors of publication: He, Shichao; Allemond, Laynee L.; Dunning, Samuel G.; Reynolds, Joseph E.; Lynch, Vincent M.; Humphrey, Simon M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 1286 - 1289
• a: 8.3732 ± 0.0005 Å
• b: 13.5112 ± 0.0007 Å
• c: 5.8925 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 666.63 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No