Information card for entry 7027866

Structure parameters

• Formula: C27 H41 N2 Na O8
• Calculated formula: C27 H41 N2 Na O8
• SMILES: c1cccc(n1)[N-]c1ccccc1.C1C[O]2CC[O]3CC[O]4CC[O]1[Na]156234[O]2CC[O]1CC[O]5CC[O]6CC2
• Title of publication: Heavier alkali metal complexes of 2-phenylamidopyridine: An X-ray crystallographic and theoretical study of a structurally diverse series of crown ether adducts
• Authors of publication: Liddle, Stephen T.; Clegg, William; Morrison, Carole A.
• Journal of publication: Dalton Transactions
• Year of publication: 2004
• Journal issue: 16
• Pages of publication: 2514 - 2525
• a: 17.86 ± 0.003 Å
• b: 11.678 ± 0.0019 Å
• c: 13.525 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2820.9 ± 0.8 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1151
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No