Information card for entry 4334050

Structure parameters

• Formula: C56 H80 Li2 N2
• Calculated formula: C56 H80 Li2 N2
• SMILES: [n]123[c]45[c]6(cc(cc4C(C)(C)C)C(C)(C)C)[c]47cc(cc([c]14[Li]3567[n]13[Li]4562[c]21c(cc(c[c]42[c]16[c]35c(cc(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Structural Diversity in Alkali Metal Complexes of Sterically Demanding Carbazol-9-yl Ligands
• Authors of publication: Rhiannon S. Moorhouse; Graeme J. Moxey; Fabrizio Ortu; Thomas J. Reade; William Lewis; Alexander J. Blake; Deborah L. Kays
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2678 - 2683
• a: 18.7441 ± 0.0011 Å
• b: 12.5597 ± 0.0007 Å
• c: 21.6594 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5099.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No