Information card for entry 4313844

Structure parameters

• Formula: C74 H112 Li6 N6 O8 P2 S2
• Calculated formula: C74 Li6 N6 O8 P2 S2
• SMILES: [S]123P4([N]5(c6ccc(cc6)C)[Li]67[N](c8ccc(cc8)C)([Li]([N]8c9ccc(cc9)C)([O]9CCCC9)[O]79CCCC9)P78[S]([Li]35[O]3CCCCC3)([Li]1([N]46c1ccc(cc1)C)[O]1CCCC1)[Li]([N]=7c1ccc(cc1)C)([O]1CCCC1)[OH]C)=[N](c1ccc(cc1)C)[Li]2([O]1CCCC1)[O]1CCCC1
• Title of publication: Lithiation of Tris(alkyl- and arylamido)orthophosphates EP[N(H)R]3 (E = O, S, Se): Imido Substituent Effects and PE Bond Cleavage
• Authors of publication: Tristram Chivers; Mark Krahn; Gabriele Schatte; Masood Parvez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3994 - 4005
• a: 15.326 ± 0.011 Å
• b: 16.877 ± 0.016 Å
• c: 18.71 ± 0.03 Å
• α: 86.645 ± 0.005°
• β: 73.522 ± 0.004°
• γ: 64.607 ± 0.005°
• Cell volume: 4181 ± 8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3088
• Residual factor for significantly intense reflections: 0.1865
• Weighted residual factors for significantly intense reflections: 0.4359
• Weighted residual factors for all reflections included in the refinement: 0.5145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.619
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No