Information card for entry 1556486

Structure parameters

• Formula: C104 H112 F48 K8 N8 O8
• Calculated formula: C104 H112 F48 K8 N8 O8
• SMILES: [K]12[O]3(C(CN(CCc4ccccc4)C)(C(F)(F)F)C(F)(F)F)[K]4[O]1(C(CN(CCc1ccccc1)C)(C(F)(F)F)C(F)(F)F)[K]1[O]2(C(CN(CCc2ccccc2)C)(C(F)(F)F)C(F)(F)F)[K]3[O]14C(CN(CCc1ccccc1)C)(C(F)(F)F)C(F)(F)F
• Title of publication: K+...Cpi and K+...F Non-Covalent Interactions in pi-Functionalized Potassium Fluoroalkoxides
• Authors of publication: Rosca, S.-C.; Roueindeji, H.; Dorcet, V.; Roisnel, T.; Carpentier, J.-F.; Sarazin, Y.
• Journal of publication: Inorganics
• Year of publication: 2017
• Journal volume: 5
• Pages of publication: 13
• a: 14.2195 ± 0.0004 Å
• b: 11.8504 ± 0.0004 Å
• c: 39.8155 ± 0.0013 Å
• α: 90°
• β: 97.526 ± 0.001°
• γ: 90°
• Cell volume: 6651.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No