Information card for entry 4083358

Structure parameters

• Formula: C32 H48 F24 K4 N4 O8
• Calculated formula: C32 H48 F24 K4 N4 O8
• SMILES: [K]123456[O](C)CC[N]1(C)CC17C(F)([F][K]89%10%11%12%13%14[O]21[K]12%15%16([F]C7(F)F)FC(C(C[N]9(CC[O]8C)C)([O]%111[K]1789([O]3%16C(C[N]%15(CC[O]2C)C)(C(F)(F)F)C(F)([F]1)[F]7)[O](C)CC[N]8(C)CC(C([F]4)(F)[F]5)([O]6%129)C(F)([F]%13)[F]%14)C(F)(F)F)([F]%10)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: 11.5856 ± 0.0006 Å
• b: 21.3415 ± 0.0012 Å
• c: 22.022 ± 0.0012 Å
• α: 107.572 ± 0.002°
• β: 99.172 ± 0.003°
• γ: 90.251 ± 0.002°
• Cell volume: 5116.6 ± 0.5 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: 0.1563
• Residual factor for significantly intense reflections: 0.1068
• Weighted residual factors for significantly intense reflections: 0.2883
• Weighted residual factors for all reflections included in the refinement: 0.3144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No