Information card for entry 7027870

Structure parameters

• Formula: C31 H49 K N2 O10
• Calculated formula: C31 H49 K N2 O10
• 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: 8.8527 ± 0.0009 Å
• b: 9.787 ± 0.001 Å
• c: 11.3106 ± 0.0012 Å
• α: 66.018 ± 0.003°
• β: 72.371 ± 0.002°
• γ: 73.225 ± 0.002°
• Cell volume: 837.76 ± 0.15 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0978
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.1801
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No