Information card for entry 4303818

Structure parameters

• Formula: C47 H47 Cl4 Fe4 N O10 P2 S4
• Calculated formula: C47 H47 Cl4 Fe4 N O10 P2 S4
• Title of publication: Preparation, Facile Deprotonation, and Rapid H/D Exchange of the μ-Hydride Diiron Model Complexes of the [FeFe]-Hydrogenase Containing a Pendant Amine in a Chelating Diphosphine Ligand
• Authors of publication: Ning Wang; Mei Wang; Jihong Liu; Kun Jin; Lin Chen; Licheng Sun
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11551 - 11558
• a: 30.8118 ± 0.0009 Å
• b: 10.2078 ± 0.0004 Å
• c: 22.62 ± 0.0007 Å
• α: 90°
• β: 126.833 ± 0.002°
• γ: 90°
• Cell volume: 5694.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.1925
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No