Information card for entry 7027871

Structure parameters

• Formula: C34 H42 K2 N4 O6
• Calculated formula: C34 H42 K2 N4 O6
• SMILES: [K]12([n]3ccccc3N1c1ccccc1)[n]1ccccc1N2c1ccccc1.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
• 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: 15.3953 ± 0.0012 Å
• b: 11.1701 ± 0.0008 Å
• c: 20.056 ± 0.002 Å
• α: 90°
• β: 90.974 ± 0.002°
• γ: 90°
• Cell volume: 3448.5 ± 0.5 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No