Information card for entry 4302683

Structure parameters

• Formula: C52 H104 N4 Na4 O8
• Calculated formula: C52 H104 N4 Na4 O8
• SMILES: [Na]12([O]3(N4C(CCCC4(C)C)(C)C)[Na]4([O]5(N6C(CCCC6(C)C)(C)C)[Na]([O]2(N2C(CCCC2(C)C)(C)C)[Na]35[O]2CCCC2)([O]14N1C(CCCC1(C)C)(C)C)[O]1CCCC1)[O]1CCCC1)[O]1CCCC1
• 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: 15.7591 ± 0.0002 Å
• b: 17.0417 ± 0.0003 Å
• c: 21.7358 ± 0.0004 Å
• α: 90°
• β: 103.064 ± 0.001°
• γ: 90°
• Cell volume: 5686.32 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1474
• Residual factor for significantly intense reflections: 0.1027
• Weighted residual factors for significantly intense reflections: 0.1992
• Weighted residual factors for all reflections included in the refinement: 0.2173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.351
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No