Information card for entry 4302684

Structure parameters

• Formula: C48 H104 N8 Na4 O4
• Calculated formula: C48 H104 N8 Na4 O4
• SMILES: [Na]123([O]4[Na]5([O]1([Na]16[O]75[Na]5([O]1[N]16C(CCCC1(C)C)(C)C)([N]17C(CCCC1(C)C)(C)C)[N](C)(C)CC[N]5(C)C)[N]12C(CCCC1(C)C)(C)C)[N]14C(CCCC1(C)C)(C)C)[N](CC[N]3(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: 11.5872 ± 0.0004 Å
• b: 12.6456 ± 0.0004 Å
• c: 20.7262 ± 0.0004 Å
• α: 90.066 ± 0.002°
• β: 90.989 ± 0.003°
• γ: 112.001 ± 0.003°
• Cell volume: 2815.28 ± 0.15 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: 0.0817
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No