Information card for entry 7103757

Structure parameters

• Common name: ((Ph2C(C4H2NCH2NtBu)2Li4)3).5(C5H12)
• Formula: C118 H168 Li12 N12
• Calculated formula: C115.96 H108 Li12 N12
• Title of publication: The syntheses and structures of Group 1 expanded dipyrrolides: the formation of a 12-rung amidolithium circular ladder
• Authors of publication: Jason Love; Alexander J. Blake; Peter B. Hitchcock; Andrew Novak; Stuart D. Reid; Claire Wilson
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• a: 22.3735 ± 0.0005 Å
• b: 22.3735 ± 0.0005 Å
• c: 38.3087 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16607.2 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No