Information card for entry 4303819

Structure parameters

• Formula: C49 H43 Cl2 Fe4 N O10 P2 S4
• Calculated formula: C49 H43 Cl2 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: 11.46 ± 0.0018 Å
• b: 13.457 ± 0.002 Å
• c: 18.003 ± 0.003 Å
• α: 87.648 ± 0.009°
• β: 86.112 ± 0.009°
• γ: 88.704 ± 0.01°
• Cell volume: 2767.1 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No