Information card for entry 7114253

Structure parameters

• Formula: C30 H72 Li6 N8 P2 Si2
• Calculated formula: C30 H72 Li6 N8 P2 Si2
• SMILES: [Li]12N34(P5(=N[Si](C)(C)C)N67([Li]3N38([Li]7N79([Li]6N15(C(C)(C)C)[Li]9N2(P37=N[Si](C)(C)C)(C(C)(C)C)[Li]48)C(C)(C)C)C(C)(C)C)C(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: 14.8927 ± 0.0004 Å
• b: 14.8927 ± 0.0004 Å
• c: 16.0178 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3076.67 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No