Information card for entry 4340159

Structure parameters

• Formula: C23 H37 Mo N O2 S4
• Calculated formula: C23 H37 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: 8.919 ± 0.002 Å
• b: 23.807 ± 0.004 Å
• c: 12.949 ± 0.003 Å
• α: 90°
• β: 105.303 ± 0.004°
• γ: 90°
• Cell volume: 2652 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No