Information card for entry 4320743

Structure parameters

• Formula: C36 H20 Cu F12 N2 O4 S8
• Calculated formula: C36 H20 Cu F12 N2 O4 S8
• SMILES: FC(F)(C1=[O][Cu]2([n]3ccc(cc3)/C=C/C3=CSC(S3)=C3SC=CS3)([n]3ccc(cc3)/C=C/C3=CSC(S3)=C3SC=CS3)(OC(=C1)C(F)(F)F)OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)F
• Title of publication: CuII Coordination Complex Involving TTF-py as Ligand
• Authors of publication: Fumiyasu Iwahori; Stéphane Golhen; Lahcène Ouahab; Roger Carlier; Jean-Pascal Sutter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6541 - 6542
• a: 26.7213 ± 0.0012 Å
• b: 11.1561 ± 0.0007 Å
• c: 15.5802 ± 0.0008 Å
• α: 90°
• β: 107.926 ± 0.004°
• γ: 90°
• Cell volume: 4419.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1689
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.2226
• Weighted residual factors for all reflections included in the refinement: 0.2807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No