Information card for entry 7205631

Structure parameters

• Formula: C104 H111 Al N8 O56.95 S8
• Calculated formula: C104 H111 Al N8 O56.948 S8
• Title of publication: Supramolecular versatility in the solid-state complexes of para-sulphonatocalix[4]arene with phenanthroline
• Authors of publication: Leśniewska, Barbara; Danylyuk, Oksana; Suwinska, Kinga; Wojciechowski, Tomasz; Coleman, Anthony W.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 3265
• a: 14.959 ± 0.0003 Å
• b: 17.5 ± 0.0005 Å
• c: 24.004 ± 0.0007 Å
• α: 71.799 ± 0.002°
• β: 85.778 ± 0.002°
• γ: 71.804 ± 0.001°
• Cell volume: 5668.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1247
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.1715
• Weighted residual factors for all reflections included in the refinement: 0.1909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No