Information card for entry 7030113

Structure parameters

• Formula: C18 H36 N5 Na
• Calculated formula: C18 H36 N5 Na
• SMILES: C[N]1(C)CC[N]23CC[N](C)(C)[Na]13([N](C)(C)CC2)N1C(=C)C=CC=C1
• 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: 8.6737 ± 0.0004 Å
• b: 15.2476 ± 0.001 Å
• c: 16.1518 ± 0.0012 Å
• α: 90°
• β: 93.219 ± 0.005°
• γ: 90°
• Cell volume: 2132.8 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.1227
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No