Information card for entry 4302682

Structure parameters

• Formula: C52 H106 N4 Na6 O10
• Calculated formula: C52 H106 N4 Na6 O10
• SMILES: [Na]12([OH]34[Na]567[O]81[Na]1([O]9CCCC9)([N]98C(CCCC9(C)C)(C)C)[OH]87[Na]7([O]5([N]56C(CCCC5(C)C)(C)C)[Na]53([O]7([Na]348[O]21[N]13C(CCCC1(C)C)(C)C)[N]15C(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: 11.6388 ± 0.0006 Å
• b: 11.8185 ± 0.0007 Å
• c: 13.1802 ± 0.001 Å
• α: 75.977 ± 0.003°
• β: 85.99 ± 0.002°
• γ: 69.221 ± 0.003°
• Cell volume: 1644.28 ± 0.18 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No