Information card for entry 4080602

Structure parameters

• Chemical name: [K-(18-crown-6)(THF)2][P3C2Ph2]
• Formula: C34 H50 K O8 P3
• Calculated formula: C34 H50 K O8 P3
• Title of publication: Synthesis and Characterization of Free and Coordinated 1,2,3-Tripnictolide Anions
• Authors of publication: Turbervill, Robert S. P.; Jupp, Andrew R.; McCullough, Phillip S. B.; Ergöçmen, Doruk; Goicoechea, Jose M.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 7
• Pages of publication: 2234
• a: 10.4833 ± 0.0002 Å
• b: 11.1755 ± 0.0002 Å
• c: 17.2569 ± 0.0003 Å
• α: 94.827 ± 0.002°
• β: 99.635 ± 0.002°
• γ: 106.361 ± 0.002°
• Cell volume: 1894.01 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0372
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No