Information card for entry 7102896

Structure parameters

• Formula: C22 H36 Li O8 P3
• Calculated formula: C22 H36 Li O8 P3
• SMILES: [P-]1c2c(P=P1)cccc2.[Li]123456([O]7CC[O]1CC[O]2CC[O]3CC7)[O]1CC[O]4CC[O]5CC[O]6CC1
• Title of publication: 1,2-Diphosphinobenzene as a synthon for the 1,2,3-triphospha- and 2-arsa-1,3-diphosphaindenyl anions and a stable organo derivative of the P8 unit of Hittorf's phosphorus.
• Authors of publication: Butts, Craig P; Green, Michael; Hooper, Thomas N; Kilby, Richard J; McGrady, John E; Pantazis, Dimitrios A; Russell, Christopher A
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 7
• Pages of publication: 856 - 858
• a: 11.7697 ± 0.0002 Å
• b: 8.3447 ± 0.0002 Å
• c: 26.3675 ± 0.0005 Å
• α: 90°
• β: 94.255 ± 0.001°
• γ: 90°
• Cell volume: 2582.54 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.052
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No