Information card for entry 7044721

Structure parameters

• Formula: C39 H39 N3 Ni O
• Calculated formula: C39 H39 N3 Ni O
• Title of publication: Unusual Intramolecular CH...O Hydrogen Bonding Interaction between Sterically Bulky Amide and Uranyl oxygen
• Authors of publication: Kannan, Shanmugaperumal; Kumar, Mukesh; Sadhu, Biswajit; Madhavan, Jaccob; Sundararajan, Mahesh
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 14.44 ± 0.008 Å
• b: 7.638 ± 0.004 Å
• c: 29.421 ± 0.017 Å
• α: 90°
• β: 90.392 ± 0.015°
• γ: 90°
• Cell volume: 3245 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1216
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.2072
• Weighted residual factors for all reflections included in the refinement: 0.2493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No