Information card for entry 2234367

Structure parameters

• Common name: 9-(Dicyanomethylidene)fluorene; tetrathiafulvalene
• Chemical name: 9-(Dicyanomethylidene)fluorene‒2-(2H-1,3-dithiol-2-ylidene)-2H-1,3-dithiole (1/1)
• Formula: C22 H12 N2 S4
• Calculated formula: C22 H12 N2 S4
• SMILES: C1=CSC(=C2SC=CS2)S1.N#CC(=C1c2ccccc2c2c1cccc2)C#N
• Title of publication: 9-(Dicyanomethylidene)fluorene‒tetrathiafulvalene (1/1)
• Authors of publication: Salmerón-Valverde, Amparo; Bernès, Sylvain
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o932
• a: 7.9919 ± 0.0011 Å
• b: 9.3696 ± 0.0014 Å
• c: 14.195 ± 0.002 Å
• α: 94.525 ± 0.012°
• β: 103.687 ± 0.012°
• γ: 103.252 ± 0.012°
• Cell volume: 995.2 ± 0.3 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Cell measurement pressure: 101 ± 2 kPa
• 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: 0.1405
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes