Information card for entry 2005056

Structure parameters

• Formula: C11 H23 Co N2 O7 S2
• Calculated formula: C11 H23 Co N2 O7 S2
• Title of publication: <i>trans</i>(S)-(<i>S</i>-Methyl-<small>D</small>-penicillaminato)(<small>D</small>-penicillaminesulfinato)cobalt(III) Monohydrate
• Authors of publication: Yonemura, T.; Yasui, T.; Okamoto, K.-I.; Hidaka, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1390 - 1392
• a: 11.653 ± 0.002 Å
• b: 12.045 ± 0.001 Å
• c: 12.594 ± 0.002 Å
• α: 90°
• β: 105.156 ± 0.008°
• γ: 90°
• Cell volume: 1706.2 ± 0.4 ų
• Cell temperature: 296 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: 0.071
• Weighted residual factors for significantly intense reflections: 0.084
• Goodness-of-fit parameter for significantly intense reflections: 2.39
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No