Information card for entry 7014163

Structure parameters

• Formula: C64 H76 Li4 O4 P8
• Calculated formula: C64 H76 Li4 O4 P8
• SMILES: [Li]12([P]3([P@@H](c4ccccc4)[Li]4([P]5([Li]([P]([Li]3([O]3CCCC3)[P@@H]5c3ccccc3)([P@@H]1c1ccccc1)c1ccccc1)([O]1CCCC1)[P@H]([P]24c1ccccc1)c1ccccc1)c1ccccc1)[O]1CCCC1)c1ccccc1)[O]1CCCC1
• Title of publication: Selective formation of the [PhP(H)-PPh]- anion in the reaction of PhPHLi with MeAlCl(2); synthesis and structure of the unusual tetramer [(PhP(H)-PPh)Li.thf]4.
• Authors of publication: Garcia, Felipe; Humphrey, Simon M.; Kowenicki, Richard A.; McPartlin, Mary; Wright, Dominic S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 7
• Pages of publication: 977 - 979
• a: 20.0636 ± 0.0006 Å
• b: 20.0636 ± 0.0006 Å
• c: 8.9176 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3589.76 ± 0.17 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.18
• Weighted residual factors for all reflections included in the refinement: 0.1885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No