Information card for entry 7027869

Structure parameters

• Formula: C44 H56 K2 N4 O8
• Calculated formula: C44 H56 K2 N4 O8
• 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: 11.1195 ± 0.0013 Å
• b: 24.947 ± 0.003 Å
• c: 16.4669 ± 0.0018 Å
• α: 90°
• β: 100.675 ± 0.003°
• γ: 90°
• Cell volume: 4488.8 ± 0.9 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1591
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1637
• Weighted residual factors for all reflections included in the refinement: 0.1987
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No