Information card for entry 2023478

Structure parameters

• Chemical name: Diaquabis(4-methylpyridine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)
• Formula: C14 H18 Co N4 O2 S2
• Calculated formula: C14 H18 Co N4 O2 S2
• Title of publication: Synthesis, crystal structure and thermal properties of di-aqua-bis-(4-methyl-pyridine-κ<i>N</i>)bis-(thio-cyanato-κ<i>N</i>)cobalt(II).
• Authors of publication: Näther, Christian; Boeckmann, Jan
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: Pt 5
• Pages of publication: 420 - 424
• a: 10.1901 ± 0.0006 Å
• b: 12.2379 ± 0.001 Å
• c: 7.6165 ± 0.0009 Å
• α: 90°
• β: 103.379 ± 0.01°
• γ: 90°
• Cell volume: 924.04 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No