Information card for entry 7221126

Structure parameters

• Chemical name: Tetrathiafulvalene 9-dicyanomethylene-2,4,7-trinitrofluorene acetone hemisolvate
• Formula: C23.5 H12 N5 O6.5 S4
• Calculated formula: C23.5 H12 N5 O6.5 S4
• Title of publication: Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives
• Authors of publication: Salmerón-Valverde, Amparo; Bernès, Sylvain
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 32
• Pages of publication: 6227
• a: 7.1682 ± 0.0015 Å
• b: 19.902 ± 0.006 Å
• c: 37.805 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5393 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1109
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No