Information card for entry 4084584

Structure parameters

• Formula: C65 H89 Fe N3 P2
• Calculated formula: C65 H90 Fe N3 P2
• Title of publication: Disproportionation of Bis(phosphaethenyl)pyridine Iron(I) Bromide Induced bytBuNC
• Authors of publication: Lin, Ya-Fan; Ichihara, Nobuko; Nakajima, Yumiko; Ozawa, Fumiyuki
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 22
• Pages of publication: 6700
• a: 10.152 Å
• b: 29.764 Å
• c: 10.313 Å
• α: 90°
• β: 94.88°
• γ: 90°
• Cell volume: 3104.92 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.1948
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No