Information card for entry 4318719

Structure parameters

• Formula: C61 H100 B Cl Fe O9 P4
• Calculated formula: C61 H84 B Cl Fe0.5 O9 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: 10.495 ± 0.002 Å
• b: 13.037 ± 0.004 Å
• c: 24.809 ± 0.006 Å
• α: 91.61 ± 0.03°
• β: 99.18 ± 0.02°
• γ: 100.93 ± 0.03°
• Cell volume: 3284.2 ± 1.5 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections: 1.78
• Goodness-of-fit parameter for all reflections included in the refinement: 1.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No