Information card for entry 2312401

Structure parameters

• Chemical name: Tetrakis(4-methylpyridine <i>N</i>-oxide-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)
• Formula: C26 H28 Co N6 O4 S2
• Calculated formula: C26 H28 Co N6 O4 S2
• Title of publication: Synthesis and crystal structure of diiso-thio-cyanato-tetra-kis-(4-methyl-pyridine <i>N</i>-oxide)cobalt(II) and diiso-thio-cyanato-tris-(4-methyl-pyridine <i>N</i>-oxide)cobalt(II) showing two different metal coordination polyhedra.
• 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: Pt 2
• Pages of publication: 174 - 179
• a: 7.0709 ± 0.0003 Å
• b: 9.6651 ± 0.0005 Å
• c: 11.0401 ± 0.0004 Å
• α: 90.609 ± 0.003°
• β: 96.346 ± 0.003°
• γ: 108.09 ± 0.004°
• Cell volume: 711.99 ± 0.06 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No