Information card for entry 4128892

Structure parameters

• Formula: C130 H141 B Fe4 N3 O2 P3 S4
• Calculated formula: C130 H141 B Fe4 N3 O2 P3 S4
• Title of publication: A Synthetic Model of Enzymatic [Fe₄S₄]-Alkyl Intermediates.
• Authors of publication: Ye, Mengshan; Thompson, Niklas B.; Brown, Alexandra C.; Suess, Daniel L. M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 34
• Pages of publication: 13330 - 13335
• a: 16.597 ± 0.004 Å
• b: 30.822 ± 0.008 Å
• c: 22.933 ± 0.006 Å
• α: 90°
• β: 95.023 ± 0.008°
• γ: 90°
• Cell volume: 11686 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0915
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No