Information card for entry 7205629

Structure parameters

• Formula: C82 H62.5 N9 O32.8 S4
• Calculated formula: C82 H62.5 N9 O32.862 S4
• 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: 16.5101 ± 0.0005 Å
• b: 17.2117 ± 0.0008 Å
• c: 18.3538 ± 0.0009 Å
• α: 98.677 ± 0.002°
• β: 115.325 ± 0.002°
• γ: 105.537 ± 0.002°
• Cell volume: 4325.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1465
• Residual factor for significantly intense reflections: 0.1051
• Weighted residual factors for significantly intense reflections: 0.2304
• Weighted residual factors for all reflections included in the refinement: 0.2496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No