Information card for entry 7117232

Structure parameters

• Formula: C46 H48 Al F36 Li O4 P6
• Calculated formula: C46 H48 Al F36 Li O4 P6
• SMILES: [Li]123([P](C)(C)c4ccccc4[P]1(C)C)([P](c1c([P]2(C)C)cccc1)(C)C)[P](C)(C)c1ccccc1[P]3(C)C.[Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
• Title of publication: Unique Group 1 cations stabilised by homoleptic neutral phosphine coordination
• Authors of publication: Marina Carravetta; Maria Concistre; William Levason; Gillian Reid; Wenjian Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 9555
• a: 15.092 ± 0.002 Å
• b: 27.737 ± 0.005 Å
• c: 15.405 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6448.6 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1502
• Residual factor for significantly intense reflections: 0.1012
• Weighted residual factors for significantly intense reflections: 0.2096
• Weighted residual factors for all reflections included in the refinement: 0.2363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No