Information card for entry 4508267

Structure parameters

• Formula: C26 H18 F4 Fe N4
• Calculated formula: C26 H18 F4 Fe N4
• Title of publication: Crystal Architectures and Magnetic Properties of Alkylferrocenium Salts with FnTCNQ (n= 0, 2, 4): Effect of Substituents on the Self-Assembled Structures
• Authors of publication: Mochida, Tomoyuki; Akasaka, Takahiro; Funasako, Yusuke; Nishio, Yutaka; Mori, Hatsumi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 4460
• a: 6.8934 ± 0.0006 Å
• b: 23.198 ± 0.002 Å
• c: 13.9021 ± 0.0013 Å
• α: 90°
• β: 94.965 ± 0.002°
• γ: 90°
• Cell volume: 2214.8 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No