Information card for entry 7058658

Structure parameters

• Chemical name: biscopper(I) 5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrakis-[(6-methyl-2,2'-bipyridyl-6-\ yl)methoxy]calix[4]arene, tetra(hexafluorophosphate)
• Formula: C184 H192 Cu4 F24 N16 O8 P4
• Calculated formula: C184 H186 Cu4 F24 N16 O8 P4
• Title of publication: Single-crystal X-ray diffraction study, NMR and electrochemical analysis of a copper(i) 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis-[(6-methyl-2,2′-bipyridyl-6-yl)methoxy]calix[4]arene complex: an original M4L2 “hand-to-hand” system
• Authors of publication: Regnouf-de-Vains, J.-B.; Malaman, B.; Bouguet-Bonnet, S.; Poinsignon, Sophie; Leclerc, Sébastien; Beley, M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 33
• Pages of publication: 13282
• a: 19.225 ± 0.002 Å
• b: 22.57 ± 0.003 Å
• c: 27.113 ± 0.003 Å
• α: 109.518 ± 0.003°
• β: 101.629 ± 0.003°
• γ: 97.8 ± 0.003°
• Cell volume: 10595 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.209
• Residual factor for significantly intense reflections: 0.1492
• Weighted residual factors for significantly intense reflections: 0.3788
• Weighted residual factors for all reflections included in the refinement: 0.4061
• Goodness-of-fit parameter for all reflections included in the refinement: 2.502
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No