Information card for entry 7102341

Structure parameters

• Formula: C37 H87 Li3 N6 Si4
• Calculated formula: C37 H81 Li3 N6 Si4
• Title of publication: Ansa-tris(allyl) complexes of alkali metals: tripodal analogues of cyclopentadienyl and ansa-metallocene ligands.
• Authors of publication: Layfield, Richard A; García, Felipe; Hannauer, Julien; Humphrey, Simon M
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 47
• Pages of publication: 5081 - 5083
• a: 33.6787 ± 0.0003 Å
• b: 33.6787 ± 0.0003 Å
• c: 11.173 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12673 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 137
• Hermann-Mauguin space group symbol: P 42/n m c :2
• Hall space group symbol: -P 4ac 2a
• Residual factor for all reflections: 0.1126
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.2287
• Weighted residual factors for all reflections included in the refinement: 0.2419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No