Information card for entry 7029096

Structure parameters

• Formula: C24 H40 F6 K N4 O6 P
• Calculated formula: C24 H40 F6 K N4 O6 P
• SMILES: [K]1234([O]=C5N(CC[O]2CCN2C(=[O]1)CCC2)CCC5)[O]=C1N(CC[O]4CCN2C(=[O]3)CCC2)CCC1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: N-Alkyl pyrrolidone ether podands as versatile alkali metal ion chelants.
• Authors of publication: Perrin, Andrea; Myers, Dominic; Fucke, Katharina; Musa, Osama M.; Steed, Jonathan W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 8
• Pages of publication: 3153 - 3161
• a: 7.0028 ± 0.0002 Å
• b: 8.6199 ± 0.0003 Å
• c: 13.2814 ± 0.0004 Å
• α: 79.41 ± 0.003°
• β: 79.591 ± 0.003°
• γ: 74.036 ± 0.003°
• Cell volume: 750.45 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No