Information card for entry 7118938

Structure parameters

• Formula: C18 H48 Li3 N6 P7
• Calculated formula: C18 H48 Li3 N6 P7
• SMILES: [Li]12([P]34P5[P]6([Li]74[N](CC[N]7(C)C)(C)C)P4P3P4[P]25[Li]26[N](CC[N]2(C)C)(C)C)[N](CC[N]1(C)C)(C)C
• Title of publication: P4 functionalization by hydrides: direct synthesis of P-H bonds.
• Authors of publication: Bhattacharyya, Koyel X.; Dreyfuss, Sébastien; Saffon-Merceron, Nathalie; Mézailles, Nicolas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 29
• Pages of publication: 5179 - 5182
• a: 11.3403 ± 0.0003 Å
• b: 11.3403 ± 0.0003 Å
• c: 15.1182 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1683.76 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No