Information card for entry 7104063

Structure parameters

• Formula: C72 H162 Li6 P8 Si6
• Calculated formula: C72 H162 Li6 P8 Si6
• SMILES: [Li]12P34(P5P67([Li]3P38(P9P2([Li]4P29([Li]6P15([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Li]82)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Li]73)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: A Novel Type of Phosphide: Synthesis and X-ray Crystal Structure Analysis of (tBu~3~Si)~3~P~4~Li~3~
• Authors of publication: Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 8
• Pages of publication: 990 - 991
• a: 14.2685 ± 0.001 Å
• b: 14.2685 ± 0.001 Å
• c: 26.965 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4754.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.1021
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No