Information card for entry 4340158

Structure parameters

• Formula: C21 H41 Mo N O2 S4
• Calculated formula: C21 H41 Mo N O2 S4
• Title of publication: Analogue reaction systems of selenate reductase.
• Authors of publication: Wang, Jun-Jieh; Tessier, Christian; Holm, R. H.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 2979 - 2988
• a: 37.741 ± 0.011 Å
• b: 16.381 ± 0.005 Å
• c: 17.663 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10920 ± 6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No