Information card for entry 4501997

Structure parameters

• Formula: C178.24 H199.08 Al2 N10.08 O93.26 S16
• Calculated formula: C178.24 H199.076 Al2 N10.08 O93.256 S16
• Title of publication: Structural Diversity in the Crystalline Complexes ofpara-Sulfonato-calix[4]arene with Bipyridinium Derivatives
• Authors of publication: Danylyuk, Oksana; Leśniewska, Barbara; Suwinska, Kinga; Matoussi, Nabila; Coleman, Anthony W.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 4542
• a: 12.299 ± 0.0002 Å
• b: 20.1641 ± 0.0006 Å
• c: 21.9327 ± 0.0006 Å
• α: 67.339 ± 0.001°
• β: 82.253 ± 0.001°
• γ: 76.335 ± 0.001°
• Cell volume: 4871.5 ± 0.2 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: 0.1281
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No