Information card for entry 7226969

Structure parameters

• Formula: C152 H142 N16 O47 S8
• Calculated formula: C152 H112 N16 O47 S8
• Title of publication: Pseudopolymorphs ‒ a variety of self-organization of para-sulphonato-calix[8]arene and phenanthroline in the solid state
• Authors of publication: Leśniewska, Barbara; Coleman, Anthony W.; Tauran, Yannick; Perret, Florent; Suwińska, Kinga
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 46
• Pages of publication: 8858
• a: 18 ± 0.0009 Å
• b: 18.933 ± 0.001 Å
• c: 28.187 ± 0.002 Å
• α: 76.131 ± 0.002°
• β: 71.402 ± 0.003°
• γ: 86.574 ± 0.003°
• Cell volume: 8837.5 ± 0.9 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: 0.3207
• Residual factor for significantly intense reflections: 0.22
• Weighted residual factors for significantly intense reflections: 0.4847
• Weighted residual factors for all reflections included in the refinement: 0.5243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.678
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No