Information card for entry 7126455

Structure parameters

• Common name: [Cu(NaPF6.L1)]PF6
• Chemical name: EI_0
• Formula: C44 H82 Cl0 Cu2 F24 N4 Na2 O15 P4
• Calculated formula: C44 H82 Cu2 F24 N4 Na2 O15 P4
• Title of publication: Supramolecularly regulated copper-bisoxazoline catalysts for the efficient insertion of carbenoid species into hydroxyl bonds.
• Authors of publication: Iniesta, Ester; Vidal-Ferran, Anton
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 47
• Pages of publication: 6364 - 6367
• a: 10.5906 ± 0.0005 Å
• b: 25.0689 ± 0.0013 Å
• c: 12.4435 ± 0.0006 Å
• α: 90°
• β: 92.9669 ± 0.0017°
• γ: 90°
• Cell volume: 3299.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No