Information card for entry 4302681

Structure parameters

• Formula: C44 H88 Li4 N4 O6
• Calculated formula: C44 H88 Li4 N4 O6
• SMILES: [Li]123[O]([Li]([O]4[N]5(C(CCCC5(C)C)(C)C)[Li]54[O]([Li]([O]2[N]23C(CCCC2(C)C)(C)C)[O]2CCCC2)[N]25C(CCCC2(C)C)(C)C)[O]2CCCC2)[N]21C(CCCC2(C)C)(C)C
• Title of publication: Structural Variations within Group 1 (Li-Cs)+(2,2,6,6-Tetramethyl-1-piperidinyloxy)-Complexes Made via Metallic Reduction of the Nitroxyl Radical
• Authors of publication: Liam Balloch; Allison M. Drummond; Pablo García-Álvarez; David V. Graham; Alan R. Kennedy; Jan Klett; Robert E. Mulvey; Charles T. O'Hara; Philip J. A. Rodger; Iain D. Rushworth
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6934 - 6944
• a: 11.3166 ± 0.0003 Å
• b: 10.9341 ± 0.0004 Å
• c: 19.435 ± 0.0008 Å
• α: 90°
• β: 94.438 ± 0.002°
• γ: 90°
• Cell volume: 2397.61 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No