Information card for entry 7102903

Structure parameters

• Formula: C22 H36 Li O8 P3
• Calculated formula: C22 H36 Li O8 P3
• SMILES: [Li]123456([O]7CC[O]1CC[O]2CC[O]3CC7)[O]1CC[O]4CC[O]6CC[O]5CC1.[P-]1c2ccccc2P=P1
• Title of publication: Direct synthesis of the 1,2,3-[C6H4P...P...P]- anion, isoelectronic with the indenyl anion [C6H4CH...CH...CH]-.
• Authors of publication: García, Felipe; Less, Robert J; Naseri, Vesal; McPartlin, Mary; Rawson, Jeremy M; Sancho Tomas, Maria; Wright, Dominic S
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 7
• Pages of publication: 859 - 861
• a: 11.7916 ± 0.0002 Å
• b: 8.3517 ± 0.0001 Å
• c: 26.4267 ± 0.0004 Å
• α: 90°
• β: 94.346 ± 0.001°
• γ: 90°
• Cell volume: 2595.02 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No