Information card for entry 4069385

Structure parameters

• Formula: C34 H54 Li4 O4 P2
• Calculated formula: C34 H54 Li4 O4 P2
• SMILES: P12(=[CH2]3[Li]4([O]5CCCC5)[CH2]5[Li]3([O]3CCCC3)[CH2]2[Li]2([CH2]1[Li]1([O]3CCCC3)[CH2]2P5(=[CH2]41)c1ccccc1)[O]1CCCC1)c1ccccc1
• Title of publication: The Carbanionic Phosphoylide Dianion [PhP(CH2)3]2−, Isoelectronic with Phosphonate Dianions [RP(O)3]2−
• Authors of publication: Less, Robert J.; Naseri, Vesal; Wright, Dominic S.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 13
• Pages of publication: 3594
• a: 9.3429 ± 0.0002 Å
• b: 13.682 ± 0.0002 Å
• c: 14.1035 ± 0.0003 Å
• α: 90°
• β: 92.8718 ± 0.0007°
• γ: 90°
• Cell volume: 1800.58 ± 0.06 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0554
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No