Information card for entry 7110259

Structure parameters

• Formula: C41.5 H34 Cl Fe3 O4 P2 S2
• Calculated formula: C41.5 H34 Cl Fe3 O4 P2 S2
• Title of publication: Hydrogenase biomimetics: Fe2(CO)4(mu-dppf)(mu-pdt) (dppf = 1,1'-bis(diphenylphosphino)ferrocene) both a proton-reduction and hydrogen oxidation catalyst
• Authors of publication: Shishir Ghosh; Graeme Hogarth; Nathan Hollingsworth; Katherine B. Holt; Shariff E. Kabir; Ben E. Sanchez
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 945
• a: 9.7365 ± 0.0019 Å
• b: 13.149 ± 0.003 Å
• c: 16.654 ± 0.003 Å
• α: 99.609 ± 0.003°
• β: 94.376 ± 0.003°
• γ: 111.343 ± 0.003°
• Cell volume: 1936.1 ± 0.7 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: 0.0374
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No