Information card for entry 7114252

Structure parameters

• Formula: C32 H72 Li4 N6 O4 P2
• Calculated formula: C32 H72 Li4 N6 O4 P2
• SMILES: [Li]123[O]45[Li]6([O]7CCCC7)[N]3(=P3([O]72[Li]5([N]2(=P4(NC(C)(C)C)[N]1(C(C)(C)C)[Li]72[O]1CCCC1)C(C)(C)C)[N]63C(C)(C)C)NC(C)(C)C)C(C)(C)C
• Title of publication: Syntheses and structures of an unsolvated tetrakisimidophosphate {Li3[P(NBut)3(NSiMe3)]}2 and the face-sharing double-cubane {Li2(THF)[P(O)(NBut)2(NHBut)]}2
• Authors of publication: Armstrong, Andrea; Chivers, Tristram; Krahn, Mark; Parvez, Masood; Schatte, Gabriele
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 20
• Pages of publication: 2332
• a: 10.3775 ± 0.0015 Å
• b: 10.5873 ± 0.0016 Å
• c: 11.5111 ± 0.0017 Å
• α: 103.906 ± 0.002°
• β: 92.088 ± 0.002°
• γ: 119.424 ± 0.002°
• Cell volume: 1051.3 ± 0.3 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: 0.0854
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No