Information card for entry 7221124

Structure parameters

• Chemical name: Tetrathiafulvalene 9-dicyanomethylene-2,7-dinitrofluorene chlorobenzene hemisolvate
• Formula: C25 H12.5 Cl0.5 N4 O4 S4
• Calculated formula: C25 H12.5 Cl0.5 N4 O4 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: 7.3769 ± 0.0011 Å
• b: 9.3811 ± 0.0009 Å
• c: 18.9293 ± 0.0019 Å
• α: 81.218 ± 0.007°
• β: 88.805 ± 0.01°
• γ: 75.958 ± 0.01°
• Cell volume: 1255.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No