Information card for entry 4315510

Structure parameters

• Common name: 4
• Formula: C46 H84 Li8 O14 P2 Te4
• Calculated formula: C46 H78 Li8 O14 P2 Te4
• SMILES: [Li]12([O]34[Li]5([O]61[Li]1([O]78[Li]9([O]5([Li]3([O]3CCCC3)[O]39[Li]4([O]4CCCC4)[O]21[Li]73[O]1CCCC1)[Li]68[O]1CCCC1)[O]1CCCC1)[O]1CCCC1)[O]1CCCC1)[O]1CCCC1.C(P(=[Te])([Te-])c1ccccc1)CP(c1ccccc1)(=[Te])[Te-]
• Title of publication: Facile Synthesis of Bis(dichalcogenophosphinate)s and a Remarkable [Li8(OH)6]2+ Polyhedron
• Authors of publication: Robert P. Davies; M. Giovanna Martinelli; Laura Patel; Andrew J. P. White
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4626 - 4631
• a: 12.8696 ± 0.0013 Å
• b: 15.3157 ± 0.0016 Å
• c: 16.1711 ± 0.0014 Å
• α: 90°
• β: 91.215 ± 0.007°
• γ: 90°
• Cell volume: 3186.7 ± 0.5 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• 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: 0.2761
• Residual factor for significantly intense reflections: 0.1255
• Weighted residual factors for significantly intense reflections: 0.3078
• Weighted residual factors for all reflections included in the refinement: 0.3747
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No