Information card for entry 4303816

Structure parameters

• Formula: C36 H37 Fe2 N O4 P2 S2
• Calculated formula: C36 H37 Fe2 N O4 P2 S2
• 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: 11.1157 ± 0.0009 Å
• b: 11.4433 ± 0.0008 Å
• c: 14.6215 ± 0.0011 Å
• α: 98.316 ± 0.005°
• β: 100.308 ± 0.005°
• γ: 97.616 ± 0.005°
• Cell volume: 1786.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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 significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No