Information card for entry 2023157

Structure parameters

• Chemical name: Diisoselenocyanatotris(2-methylpyridine <i>N</i>-oxide)cobalt(II)
• Formula: C20 H21 Co N5 O3 Se2
• Calculated formula: C20 H21 Co N5 O3 Se2
• Title of publication: Syntheses and crystal structures of the five- and sixfold coordinated complexes diisoselenocyanatotris(2-methylpyridine N-oxide)cobalt(II) and diisoselenocyanatotetrakis(2-methylpyridine N-oxide)cobalt(II)
• Authors of publication: Näther, Christian; Jess, Inke
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 7
• a: 12.07686 ± 0.00006 Å
• b: 26.47661 ± 0.00016 Å
• c: 7.25623 ± 0.00004 Å
• α: 90°
• β: 104.276 ± 0.0005°
• γ: 90°
• Cell volume: 2248.56 ± 0.02 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0197
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No