Information card for entry 4322462

Structure parameters

• Chemical name: Cesium 18-crown-6 (2,4,6-tri-t-butylbenzene)phosphide
• Formula: C33.5 H58 Cs O6 P
• Calculated formula: C33.5 H57 Cs O6 P
• SMILES: [Cs+].[PH-]c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C.O1CCOCCOCCOCCOCCOCC1.c1ccccc1C
• Title of publication: Highly Restricted Dimensionality in Cesium Aryl Phosphides
• Authors of publication: Gerd W. Rabe; Louise M. Liable-Sands; Christopher D. Incarvito; Kin-Chung Lam; Arnold L. Rheingold
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4342 - 4346
• a: 22.919 ± 0.004 Å
• b: 17.184 ± 0.003 Å
• c: 21.307 ± 0.006 Å
• α: 90°
• β: 113.79 ± 0.02°
• γ: 90°
• Cell volume: 7679 ± 3 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections: 0.1129
• Weighted residual factors for significantly intense reflections: 0.1048
• Goodness-of-fit parameter for all reflections: 1.088
• Goodness-of-fit parameter for significantly intense reflections: 1.414
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No