Information card for entry 7227694

Structure parameters

• Formula: C48 H32 Cl2 Fe2 N8
• Calculated formula: C48 H32 Cl2 Fe2 N8
• Title of publication: Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts
• Authors of publication: Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 11
• Pages of publication: 1449
• a: 8.654 ± 0.003 Å
• b: 9.112 ± 0.003 Å
• c: 13.738 ± 0.004 Å
• α: 89.225 ± 0.005°
• β: 75.034 ± 0.005°
• γ: 73.2 ± 0.005°
• Cell volume: 999.7 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.1437
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.1838
• Weighted residual factors for all reflections included in the refinement: 0.2199
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No