Information card for entry 4302920

Structure parameters

• Formula: C34 H66 Fe4 N2 O8 P4 S4
• Calculated formula: C34 H66 Fe4 N2 O8 P4 S4
• Title of publication: Biomimetic Model Featuring the NH Proton and Bridging Hydride Related to a Proposed Intermediate in Enzymatic H2 Production by Fe-Only Hydrogenase
• Authors of publication: Ming-Hsi Chiang; Yu-Chiao Liu; Shu-Ting Yang; Gene-Hsiang Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 7604 - 7612
• a: 11.7164 ± 0.0009 Å
• b: 14.0018 ± 0.0015 Å
• c: 16.7238 ± 0.0017 Å
• α: 112.986 ± 0.009°
• β: 90.204 ± 0.007°
• γ: 101.705 ± 0.008°
• Cell volume: 2462.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No