Information card for entry 7033993

Structure parameters

• Chemical name: tetraphenylphosphonium {1,3-bis-(2,6-diisopropylphenyl)-1,3,2-diazaphospholenium}-tricarbonyl ferrate(II)
• Formula: C59 H68 Fe N2 O4.5 P2
• Calculated formula: C59 H68 Fe N2 O4.5 P2
• Title of publication: An anionic phosphenium complex as an ambident nucleophile.
• Authors of publication: Stadelmann, B.; Bender, J.; Förster, D; Frey, W.; Nieger, M.; Gudat, D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 13
• Pages of publication: 6023 - 6031
• a: 19.0086 ± 0.0016 Å
• b: 12.8494 ± 0.001 Å
• c: 43.849 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10710.1 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No