Information card for entry 4022229

Structure parameters

• Formula: C96 H94 Fe2 P2
• Calculated formula: C96 H94 Fe2 P2
• Title of publication: Air Stable, Sterically Hindered Ferrocenyl Dialkylphosphines for Palladium-Catalyzed C-C, C-N, and C-O Bond-Forming Cross-Couplings
• Authors of publication: Noriyasu Kataoka; Quinetta Shelby; James P. Stambuli; John F. Hartwig
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2002
• Journal volume: 67
• Pages of publication: 5553 - 5566
• a: 19.4129 ± 0.0003 Å
• b: 18.076 ± 0.0004 Å
• c: 22.333 ± 0.001 Å
• α: 90°
• β: 104.744 ± 0.001°
• γ: 90°
• Cell volume: 7578.6 ± 0.3 ų
• Cell temperature: 183.2 K
• Ambient diffraction temperature: 183.2 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 significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0411
• Goodness-of-fit parameter for significantly intense reflections: 2.206
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No