Information card for entry 4083354

Structure parameters

• Formula: C40 H64 F24 K4 N4 O12
• Calculated formula: C40 H64 F24 K4 N4 O12
• SMILES: [K]12345678[N](CCOC)(CC[O]1C)CC19C(F)([F]2)[F][K]2%10%11%12([F]C1(F)F)[O]39[K]139%13[O]%147[K]7%15%16%17([O]42C(C(F)([F]5)F)(C([F]6)(F)[F]7)C[N]%15(CCOC)CC[O]%16C)([F]C(C%14(C(F)(F)[F]8)C[N]1(CCOC)CC[O]3C)([F]%17)F)[O]%109C(C(F)([F]%13)F)(C(F)(F)F)C[N]%11(CCOC)CC[O]%12C
• 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: 11.8672 ± 0.0013 Å
• b: 12.221 ± 0.0014 Å
• c: 22.468 ± 0.003 Å
• α: 90.211 ± 0.005°
• β: 94.543 ± 0.006°
• γ: 112.113 ± 0.005°
• Cell volume: 3007.4 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0592
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No