Information card for entry 7030110

Structure parameters

• Formula: C22 H44 N5 Na O
• Calculated formula: C21.992 H44 N5 Na O
• SMILES: C1=CC(=C)C=CN1[Na]123[N](C)(C)CC[N]3(CC[N]1(C)C)CC[N]2(C)C.O1CCCC1
• Title of publication: Lithium, sodium and potassium picolyl complexes: syntheses, structures and bonding.
• Authors of publication: Kennedy, Alan R.; Mulvey, Robert E.; Urquhart, Robert I.; Robertson, Stuart D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 38
• Pages of publication: 14265 - 14274
• a: 9.2483 ± 0.0007 Å
• b: 15.1708 ± 0.0012 Å
• c: 18.4204 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2584.5 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1356
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.2328
• Weighted residual factors for all reflections included in the refinement: 0.2798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No