Information card for entry 4307070

Structure parameters

• Formula: C36 H56 Fe O12 P4 S
• Calculated formula: C36 H56 Fe O12 P4 S
• Title of publication: Coordination Chemistry of H2 and N2 in Aqueous Solution. Reactivity and Mechanistic Studies Using trans-FeII(P2)2X2-Type Complexes (P2= a Chelating, Water-Solubilizing Phosphine)
• Authors of publication: John D. Gilbertson; Nathaniel K. Szymczak; Justin L. Crossland; Warren K. Miller; David K. Lyon; Bruce M. Foxman; Joclyn Davis; David R. Tyler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1205 - 1214
• a: 14.379 ± 0.003 Å
• b: 15.967 ± 0.005 Å
• c: 19.943 ± 0.003 Å
• α: 90°
• β: 94.83 ± 0.02°
• γ: 90°
• Cell volume: 4562.4 ± 1.9 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.158
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections: 0.1712
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1222
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No