Information card for entry 4318723

Structure parameters

• Formula: C36 H80 Br2 Fe O8 P4
• Calculated formula: C36 H80 Br2 Fe0.5 O8 P4
• 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: 19.75 ± 0.002 Å
• b: 12.78 ± 0.003 Å
• c: 20.078 ± 0.005 Å
• α: 90°
• β: 111.76 ± 0.02°
• γ: 90°
• Cell volume: 4706.7 ± 1.8 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.061
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections: 1.63
• Goodness-of-fit parameter for all reflections included in the refinement: 1.76
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No