Information card for entry 4083859

Structure parameters

• Formula: C23 H37 Fe P
• Calculated formula: C23 H37 Fe P
• Title of publication: Hydrogen Production Catalyzed by Bidirectional, Biomimetic Models of the [FeFe]-Hydrogenase Active Site.
• Authors of publication: Lansing, James C.; Camara, James M.; Gray, Danielle E.; Rauchfuss, Thomas B.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 20
• Pages of publication: 5897 - 5906
• a: 7.5978 ± 0.0014 Å
• b: 8.8085 ± 0.0016 Å
• c: 33.134 ± 0.006 Å
• α: 90°
• β: 95.787 ± 0.002°
• γ: 90°
• Cell volume: 2206.2 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• 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: 0.0367
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No