Information card for entry 4318720

Structure parameters

• Formula: C28 H65 Fe O12.5 P4 S
• Calculated formula: C28 H48 Fe O12.5 P4 S
• Title of publication: Precursors to Water-Soluble Dinitrogen Carriers. Synthesis of Water-Soluble Complexes of Iron(II) Containing Water-Soluble Chelating Phosphine Ligands of the Type 1,2-Bis(bis(hydroxyalkyl)phosphino)ethane
• Authors of publication: Warren K. Miller; John D. Gilbertson; Carmen Leiva-Paredes; Paul R. Bernatis; Timothy J. R. Weakley; David K. Lyon; David R. Tyler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5453 - 5465
• a: 10.023 ± 0.002 Å
• b: 22.427 ± 0.002 Å
• c: 17.195 ± 0.003 Å
• α: 90°
• β: 100.07 ± 0.01°
• γ: 90°
• Cell volume: 3805.6 ± 1.1 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 293 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: 0.126
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for all reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections: 1.99
• Goodness-of-fit parameter for all reflections included in the refinement: 2.38
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No