Information card for entry 4322940

Structure parameters

• Chemical name: Bis[cesium (2,4,6-tri-t-butylbenzene)phosphide] (4)
• Formula: C18 H30 Cs P
• Calculated formula: C18 H30 Cs P
• SMILES: c1(cc(cc(c1[PH-])C(C)(C)C)C(C)(C)C)C(C)(C)C.[Cs+]
• Title of publication: Molecular Structures of the Heavier Alkali Metal Salts of Supermesitylphosphane: A Systematic Investigation
• Authors of publication: Gerd W. Rabe; Henrike Heise; Glenn P. A. Yap; Louise M. Liable-Sands; Ilia A. Guzei; Arnold L. Rheingold
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 4235 - 4245
• a: 7.073 ± 0.0014 Å
• b: 10.395 ± 0.002 Å
• c: 14.933 ± 0.002 Å
• α: 81.97 ± 0.011°
• β: 76.35 ± 0.015°
• γ: 71.82 ± 0.014°
• Cell volume: 1011.1 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections: 0.1382
• Weighted residual factors for significantly intense reflections: 0.1233
• Goodness-of-fit parameter for all reflections: 1.018
• Goodness-of-fit parameter for significantly intense reflections: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No