Information card for entry 4508274

Structure parameters

• Formula: C36 H22 Fe N8
• Calculated formula: C35.998 H21.994 Fe N8
• 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: 7.5255 ± 0.0006 Å
• b: 7.6535 ± 0.0006 Å
• c: 13.4176 ± 0.0011 Å
• α: 101.755 ± 0.002°
• β: 93.869 ± 0.002°
• γ: 94.593 ± 0.002°
• Cell volume: 751.38 ± 0.1 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No