Information card for entry 2200099

Structure parameters

• Formula: C27 H30 Co N3 S6
• Calculated formula: C27 H30 Co N3 S6
• SMILES: [Co]123(SC(=[S]1)N(CC)c1ccccc1)(SC(=[S]2)N(CC)c1ccccc1)SC(=[S]3)N(CC)c1ccccc1
• Title of publication: Tris(<i>N</i>-ethyl-<i>N</i>-phenyldithiocarbamato-<i>S</i>,<i>S</i>')cobalt(III)
• Authors of publication: Ondrušová, Darina; Koman, Marian; Jóna, Eugen; Pajtášová, Maria; Glowiak, Tadeus
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: m172 - m173
• a: 10.193 ± 0.002 Å
• b: 11.159 ± 0.002 Å
• c: 14.253 ± 0.003 Å
• α: 105.14 ± 0.03°
• β: 103.09 ± 0.03°
• γ: 92.3 ± 0.03°
• Cell volume: 1515.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1805
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes