Information card for entry 4088452

Structure parameters

• Chemical name: bis(dimethylphosphinomethane)iron dinitrogen dimer
• Formula: C24.566 H61.633 Fe2 N2 P8
• Calculated formula: C24.566 H61.632 Fe2 N2 P8
• Title of publication: A Tertiary Carbon‒Iron Bond as an FeICl Synthon and the Reductive Alkylation of Diphosphine-Supported Iron(II) Chloride Complexes to Low-Valent Iron
• Authors of publication: Tondreau, Aaron M.; Scott, Brian L.; Boncella, James M.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 1643
• a: 9.2918 ± 0.0013 Å
• b: 9.614 ± 0.0013 Å
• c: 23.399 ± 0.003 Å
• α: 90.684 ± 0.002°
• β: 90.764 ± 0.003°
• γ: 115.56 ± 0.002°
• Cell volume: 1885.2 ± 0.4 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105.29 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1052
• Residual factor for significantly intense reflections: 0.0996
• Weighted residual factors for significantly intense reflections: 0.2696
• Weighted residual factors for all reflections included in the refinement: 0.2798
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No