Information card for entry 4302098

Structure parameters

• Formula: C27.5 H32.5 Fe N4.5
• Calculated formula: C27.5 H32.5 Fe N4.5
• Title of publication: Structures of the Solvated Organic-Based Ferromagnet Decamethylferrocenium Tetracyanoethenide, [FeCp*2].+[TCNE].-.yRCN (R = Me, Et,n-Pr)
• Authors of publication: Joel S. Miller; Peter K. Gantzel; Arnold L. Rheingold; Michelle L. Taliaferro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4201 - 4206
• a: 14.752 ± 0.005 Å
• b: 10.577 ± 0.005 Å
• c: 33.972 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5301 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1324
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.1969
• Weighted residual factors for all reflections included in the refinement: 0.2219
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No