Information card for entry 4078326

Structure parameters

• Chemical name: 1,5-hexadienebis(triethylphosphine)iron(0)
• Formula: C18 H40 Fe P2
• Calculated formula: C18 H40 Fe P2
• SMILES: [Fe]123([P](CC)(CC)CC)([P](CC)(CC)CC)[CH2]=[CH]1CC[CH]2=[CH2]3
• Title of publication: Reaction of Unconjugated Dienes with [Fe(R2P(CH2)nPR2)] Species†
• Authors of publication: Geier, S.; Goddard, R.; Holle, S.; Jolly, P. W.; Krüger, C.; Lutz, F.
• Journal of publication: Organometallics
• Year of publication: 1997
• Journal volume: 16
• Journal issue: 8
• Pages of publication: 1612
• a: 9.164 ± 0.007 Å
• b: 14.396 ± 0.009 Å
• c: 16.035 ± 0.007 Å
• α: 90°
• β: 92.75 ± 0.04°
• γ: 90°
• Cell volume: 2113 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections: 0.1416
• Weighted residual factors for significantly intense reflections: 0.1274
• Goodness-of-fit parameter for all reflections: 1.02
• Goodness-of-fit parameter for significantly intense reflections: 1.024
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No