Information card for entry 7223406

Structure parameters

• Formula: C25 H22 I O P
• Calculated formula: C25 H22 I O P
• SMILES: [I-].[P+](c1ccc(OC)cc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Gadolinium(iii)-mediated multi-component confinement of imidazolium cations in p-sulfonated calix[4]arene
• Authors of publication: Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 26
• Pages of publication: 4929
• a: 10.4708 ± 0.0006 Å
• b: 10.5478 ± 0.0006 Å
• c: 11.0342 ± 0.0006 Å
• α: 72.783 ± 0.005°
• β: 75.786 ± 0.005°
• γ: 70.243 ± 0.005°
• Cell volume: 1081.09 ± 0.11 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: 0.0458
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No