Information card for entry 2007464

Structure parameters

• Common name: Co(DH)~2~(4-^t^Bu-Py)(PhS)
• Chemical name: Bis(dimethylglyoximato)(benzenethiolato)(4-tert- butylpyridine)Cobalt(III)
• Formula: C23 H32 Co N5 O4 S
• Calculated formula: C23 H32 Co N5 O4 S
• SMILES: [Co]12(Sc3ccccc3)(N([O])C(=C(N1O)C)C)(N([O])C(=C(N2O)C)C)[n]1ccc(cc1)C(C)(C)C
• Title of publication: (Benzenethiolato-<i>S</i>)(4-<i>tert</i>-butylpyridine-<i>N</i>)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')cobalt(III) and (4-<i>tert</i>-Butylpyridine-<i>N</i>)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')(4-methoxybenzenethiolato-<i>S</i>)cobalt(III)
• Authors of publication: Inouye, Yoshinobu; Kambe, Tohru; Tada, Masaru
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 945 - 947
• a: 23.63 ± 0.006 Å
• b: 10.985 ± 0.001 Å
• c: 9.779 ± 0.003 Å
• α: 90°
• β: 91.06 ± 0.01°
• γ: 90°
• Cell volume: 2538 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.09
• Weighted residual factors for significantly intense reflections: 0.084
• Goodness-of-fit parameter for all reflections: 1.076
• Goodness-of-fit parameter for significantly intense reflections: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No