Information card for entry 4313842

Structure parameters

• Formula: C21 H54 Li2 N7 P S
• Calculated formula: C21 H54 Li2 N7 P S
• SMILES: [S]12P(=[N](C(C)C)[Li]13[N](C)(C)CC[N]3(C)C)(N(C(C)C)[Li]12[N](C)(C)CC[N]1(C)C)NC(C)C
• 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: 9.687 ± 0.0014 Å
• b: 12.3926 ± 0.0017 Å
• c: 14.357 ± 0.002 Å
• α: 86.402 ± 0.003°
• β: 75.281 ± 0.002°
• γ: 71.642 ± 0.003°
• Cell volume: 1581.8 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1027
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No