Information card for entry 7029091

Structure parameters

• Formula: C24 H44 F18 N4 Na3 O8 P3
• Calculated formula: C24 H44 F18 N4 Na3 O8 P3
• SMILES: N12CCCC2=[O]([Na]234([O](CC1)CCN1C(=[O]25)CCC1)[O](CCN1CCCC1=[O]41)CCN2CCCC2=[O]3[Na]5([OH2])[F][P](F)(F)(F)(F)F)[Na]1([OH2])[F][P](F)(F)(F)(F)F.[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: 13.848 ± 0.002 Å
• b: 17.969 ± 0.003 Å
• c: 16.913 ± 0.003 Å
• α: 90°
• β: 107.686 ± 0.018°
• γ: 90°
• Cell volume: 4009.6 ± 1.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.3039
• Residual factor for significantly intense reflections: 0.1745
• Weighted residual factors for significantly intense reflections: 0.4286
• Weighted residual factors for all reflections included in the refinement: 0.4949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.31
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No