Information card for entry 7001194

Structure parameters

• Formula: C11 H7 F6 N3 P S4
• Calculated formula: C11 H7 F6 N3 P S4
• SMILES: C1=CSC(=C2SC=C(/C=N/c3cnccn3)S2)S1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Coordination complexes with the redox active tetrathiafulvalene based imino-pyrazine ligand: syntheses, a radical cation salt, crystal structures and electrochemistry
• Authors of publication: Cosquer, Goulven; Pointillart, Fabrice; Le Gal, Yann; Golhen, Stéphane; Cador, Olivier; Ouahab, Lahcène
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 18
• Pages of publication: 3495 - 3502
• a: 8.7948 ± 0.0006 Å
• b: 10.062 ± 0.0006 Å
• c: 11.1148 ± 0.001 Å
• α: 115.373 ± 0.004°
• β: 101.96 ± 0.004°
• γ: 98.581 ± 0.005°
• Cell volume: 837.3 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1304
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.2426
• Weighted residual factors for all reflections included in the refinement: 0.2997
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No