Information card for entry 2013534

Structure parameters

• Formula: C18 H24 Co N9 S3
• Calculated formula: C18 H24 Co N9 S3
• SMILES: [Co]123([n]4n(C(=S)N1)c(C)cc4C)([n]1n(C(=S)N2)c(cc1C)C)[n]1n(C(=S)N3)c(cc1C)C
• Title of publication: Tris(3,5-dimethyl-1<i>H</i>-pyrazole-1-thiocarboxamidato-κ^2^<i>N</i>^2^,<i>N</i>)cobalt(III)
• Authors of publication: Jaćimović, Željko K.; Tomić, Zoran D.; Gerald Giester; Leovac, Vukadin M
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: m381 - m383
• a: 8.75 ± 0.002 Å
• b: 18.39 ± 0.004 Å
• c: 30.485 ± 0.006 Å
• α: 90°
• β: 91.49 ± 0.03°
• γ: 90°
• Cell volume: 4903.8 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes