Information card for entry 4327928

Structure parameters

• Formula: C67 H53 F18 N9 U
• Calculated formula: C67 H53 F18 N9 U
• Title of publication: Uranium Pyrrolylamine Complexes Featuring a Trigonal Binding Pocket and Interligand Noncovalent Interactions
• Authors of publication: Andrew J. Lewis; Ursula J. Williams; James M. Kikkawa; Patrick J. Carroll; Eric J. Schelter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 37 - 39
• a: 14.9137 ± 0.0006 Å
• b: 15.0306 ± 0.0005 Å
• c: 16.7526 ± 0.0007 Å
• α: 65.774 ± 0.002°
• β: 67.054 ± 0.002°
• γ: 86.44 ± 0.002°
• Cell volume: 3132.1 ± 0.2 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 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: 0.0758
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No