Information card for entry 7044720

Structure parameters

• Formula: C43 H48 N3 Ni O
• Calculated formula: C43 H48 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: 14.4481 ± 0.0017 Å
• b: 9.4949 ± 0.0009 Å
• c: 27.331 ± 0.004 Å
• α: 90°
• β: 103.532 ± 0.012°
• γ: 90°
• Cell volume: 3645.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No