Information card for entry 7220275

Structure parameters

• Common name: di-cesium C-methyl tetramethoxy resorcinarene bis-crown-5 bis(hexafluorophosphate) acetone solvate
• Chemical name: di-cesium C-methyl tetramethoxy resorcinarene bis-crown-5 bis(hexafluorophosphate) acetone solvate
• Formula: C53.5 H71 Cs2 F12 O14.5 P2
• Calculated formula: C53.5 H71 Cs2 F12 O14.5 P2
• Title of publication: Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5
• Authors of publication: Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 19
• Pages of publication: 3667
• a: 13.2706 ± 0.0003 Å
• b: 15.2318 ± 0.0003 Å
• c: 16.1051 ± 0.0004 Å
• α: 80.0591 ± 0.0019°
• β: 89.3602 ± 0.0019°
• γ: 88.922 ± 0.0018°
• Cell volume: 3205.86 ± 0.13 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No