Information card for entry 4307069

Structure parameters

• Formula: C54 H119.5 Cl2 Fe O20 P6
• Calculated formula: C54 H119.496 Cl2 Fe O20 P6
• 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: 25.5544 ± 0.0019 Å
• b: 14.0778 ± 0.001 Å
• c: 41.888 ± 0.003 Å
• α: 90°
• β: 106.718 ± 0.002°
• γ: 90°
• Cell volume: 14432.3 ± 1.8 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1094
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections: 0.1516
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9435
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No