Information card for entry 7029090

Structure parameters

• Formula: C24 H40 F6 N4 Na O6 P
• Calculated formula: C24 H40 F6 N4 Na O6 P
• SMILES: C12=[O][Na]345([O](CCN2CCC1)CCN1C(=[O]3)CCC1)[O]=C1CCCN1CC[O]4CCN1C(=[O]5)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: 7.0768 ± 0.0004 Å
• b: 8.5945 ± 0.0005 Å
• c: 12.917 ± 0.0007 Å
• α: 77.011 ± 0.005°
• β: 77.346 ± 0.004°
• γ: 74.071 ± 0.005°
• Cell volume: 725.68 ± 0.07 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0432
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No