Information card for entry 7113309

Structure parameters

• Formula: C65 H44 F3 Fe2 N12
• Calculated formula: C65 H44 F3 Fe2 N12
• Title of publication: Chemical control of the monovalent-divalent electron-transfer phase transition in biferrocenium-TCNQ salts
• Authors of publication: Tomoyuki Mochida; Yusuke Funasako; Kousuke Takazawa; Masashi Takahashi; Michio M. Matsushita; Tadashi Sugawara
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 5473
• a: 8.6943 ± 0.0011 Å
• b: 12.0631 ± 0.0016 Å
• c: 14.3534 ± 0.0018 Å
• α: 109.208 ± 0.002°
• β: 105.134 ± 0.002°
• γ: 97.578 ± 0.002°
• Cell volume: 1332.5 ± 0.3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No