Information card for entry 2243961

Structure parameters

• Chemical name: Bis(1,3-dicyclohexylthiourea-κ<i>S</i>)bis(isothiocyanato-κ<i>N</i>)cobalt(II)
• Formula: C28 H48 Co N6 S4
• Calculated formula: C28 H48 Co N6 S4
• SMILES: C(NC1CCCCC1)(NC1CCCCC1)=[S][Co](N=C=S)(N=C=S)[S]=C(NC1CCCCC1)NC1CCCCC1
• Title of publication: Synthesis, crystal structure and thermal properties of bis(1,3-dicyclohexylthiourea-κ<i>S</i>)bis(isothiocyanato-κ<i>N</i>)cobalt(II)
• Authors of publication: Krebs, Christoph; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 1
• a: 24.0667 ± 0.0004 Å
• b: 8.8282 ± 0.0001 Å
• c: 18.891 ± 0.0003 Å
• α: 90°
• β: 125.619 ± 0.002°
• γ: 90°
• Cell volume: 3262.76 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes