Information card for entry 4130755

Structure parameters

• Formula: C15.4 H23.8 B Cl0.8 F4 Fe2 N3 O2 S2
• Calculated formula: C15.4 H23.8 B Cl0.8 F4 Fe2 N3 O2 S2
• Title of publication: Hemilabile Bridging Thiolates as Proton Shuttles in Bioinspired H₂ Production Electrocatalysts.
• Authors of publication: Ding, Shengda; Ghosh, Pokhraj; Lunsford, Allen M.; Wang, Ning; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 39
• Pages of publication: 12920 - 12927
• a: 23.578 ± 0.003 Å
• b: 30.074 ± 0.004 Å
• c: 12.5159 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8875 ± 2 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 9
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No