Information card for entry 4078325

Structure parameters

• Chemical name: 1,6-heptadiene(1,3-bis{bis(isopropyl)phosphine}propane)iron(0)
• Formula: C22 H46 Fe P2
• Calculated formula: C22 H43 Fe P2
• 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: 22.489 ± 0.008 Å
• b: 15.388 ± 0.003 Å
• c: 18.536 ± 0.007 Å
• α: 90°
• β: 132.53 ± 0.02°
• γ: 90°
• Cell volume: 4727 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections: 0.1314
• Weighted residual factors for significantly intense reflections: 0.1251
• Goodness-of-fit parameter for all reflections: 1.048
• Goodness-of-fit parameter for significantly intense reflections: 1.06
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No