Information card for entry 7004793

Structure parameters

• Formula: C24 H54 Li2 N4 P2 S4
• Calculated formula: C24 H54 Li2 N4 P2 S4
• SMILES: [Li]12([S]=P3(P(S1)(=[S][Li]1(S3)[N](C)(C)CC[N]1(C)C)C1CCCCC1)C1CCCCC1)[N](C)(C)CC[N]2(C)C
• Title of publication: Aluminium complexes with thio-phosphorus ligands: syntheses and characterisations of [Al2(CyPS3)2(CyPHS2)2] and [Al(S2PPh2)3]
• Authors of publication: Davies, Robert P.; Giménez, Maria A.; Patel, Laura; White, Andrew J. P.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 42
• Pages of publication: 5705 - 5707
• a: 9.0103 ± 0.0017 Å
• b: 10.68 ± 0.002 Å
• c: 18.826 ± 0.003 Å
• α: 95.329 ± 0.015°
• β: 101.726 ± 0.014°
• γ: 101.575 ± 0.018°
• Cell volume: 1720.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 1.54248 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No