Information card for entry 4317561

Structure parameters

• Formula: C24 H34 F6 Fe N2 O4
• Calculated formula: Fe
• Title of publication: Synthesis and Structural Studies of 1,1'-Bis-Amino-Functionalized Ferrocenes, Ferrocene Salts, and Ferrocenium Salts
• Authors of publication: Sam Bradley; Kenneth D. Camm; Xiaoming Liu; Patrick C. McGowan; Raheela Mumtaz; Karrie A. Oughton; Thomas J. Podesta; Mark Thornton-Pett
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 715 - 726
• a: 12.2379 ± 0.0002 Å
• b: 31.2235 ± 0.0007 Å
• c: 21.5825 ± 0.0005 Å
• α: 90°
• β: 100.299 ± 0.001°
• γ: 90°
• Cell volume: 8114 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.6224
• Residual factor for significantly intense reflections: 0.5574
• Weighted residual factors for significantly intense reflections: 0.8564
• Weighted residual factors for all reflections included in the refinement: 0.8831
• Goodness-of-fit parameter for all reflections included in the refinement: 6.702
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No