Information card for entry 4319916

Structure parameters

• Formula: C16 H16 Cu F6 N4 O6 S4
• Calculated formula: C16 H16 Cu F6 N4 O6 S4
• SMILES: [Cu]123[n]4ccsc4C=[N]1[C@@H]1CCCC[C@H]1[N]2=Cc1scc[n]31.S(=O)(=O)(C(F)(F)F)[O-].S(=O)(=O)(C(F)(F)F)[O-].[Cu]123[n]4ccsc4C=[N]1[C@H]1CCCC[C@@H]1[N]2=Cc1scc[n]31.S(=O)(=O)(C(F)(F)F)[O-].S(=O)(=O)(C(F)(F)F)[O-]
• Title of publication: Electrochemical Assembling/Disassembling of Helicates with Hysteresis
• Authors of publication: Valeria Amendola; Luigi Fabbrizzi; Luca Gianelli; Cristina Maggi; Carlo Mangano; Piersandro Pallavicini; Michele Zema
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3579 - 3587
• a: 8.559 ± 0.008 Å
• b: 11.145 ± 0.004 Å
• c: 14.255 ± 0.006 Å
• α: 94.54 ± 0.03°
• β: 94.85 ± 0.08°
• γ: 109.43 ± 0.07°
• Cell volume: 1269.4 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1434
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.2889
• Weighted residual factors for all reflections included in the refinement: 0.3297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No