Information card for entry 2009978

Structure parameters

• Formula: C18 H23 Co N6 O S3
• Calculated formula: C18 H23 Co N6 O S3
• Title of publication: Tris(4,6-dimethylpyrimidine-2-thiolato-<i>N</i>,<i>S</i>)cobalt(III) monohydrate: a complex with three stable four-membered <i>N</i>,<i>S</i>-chelate rings
• Authors of publication: Seth, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 1196 - 1199
• a: 8.014 ± 0.002 Å
• b: 16.84 ± 0.003 Å
• c: 8.501 ± 0.001 Å
• α: 90°
• β: 93.53 ± 0.01°
• γ: 90°
• Cell volume: 1145.1 ± 0.4 ų
• Cell temperature: 293 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.048
• Goodness-of-fit parameter for significantly intense reflections: 1.365
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No