Information card for entry 4083350

Structure parameters

• Formula: C24 H36 F12 K2 N2 O8
• Calculated formula: C24 H36 F12 K2 N2 O8
• SMILES: [K]1234[O]5CCN(CC[O]2CC[O]1CC5)CC([O]3[K]123[O]5CCN(CC[O]2CC[O]1CC5)CC([O]43)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
• Title of publication: Potassium and Well-Defined Neutral and Cationic Calcium Fluoroalkoxide Complexes: Structural Features and Reactivity
• Authors of publication: Roşca, Sorin-Claudiu; Roisnel, Thierry; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 20
• Pages of publication: 5630
• a: 11.1311 ± 0.0007 Å
• b: 11.1349 ± 0.0008 Å
• c: 13.6455 ± 0.0007 Å
• α: 90°
• β: 110.337 ± 0.002°
• γ: 90°
• Cell volume: 1585.85 ± 0.17 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No