Information card for entry 7115010

Structure parameters

• Formula: C26 H62 Li2 N6 O2 P2 S2
• Calculated formula: C26 H62 Li2 N6 O2 P2 S2
• SMILES: [Li]12([S]=P(NC(C)C)(NC(C)C)[N]1(C(C)C)[Li]1([S]=P(NC(C)C)(NC(C)C)[N]21C(C)C)[O]1CCCC1)[O]1CCCC1
• Title of publication: Steric effects on the mode of aggregation and reactivity of clusters formed from the lithiation of trisamidothiophosphates
• Authors of publication: Chivers, Tristram; Krahn, Mark; Parvez, Masood; Schatte, Gabriele
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 19
• Pages of publication: 1922
• a: 11.0007 ± 0.0016 Å
• b: 17.324 ± 0.003 Å
• c: 10.8355 ± 0.0016 Å
• α: 90°
• β: 114.463 ± 0.002°
• γ: 90°
• Cell volume: 1879.6 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No