Information card for entry 4339805

Structure parameters

• Formula: C36 H59 I6 N U3
• Calculated formula: C36 H59 I6 N U3
• SMILES: [U]12345678([I][U]9%10%11%12%13%14([I][U]%15%16%17%18([I]9)([I]1)([I]5)(N6%10)[c]1([c]%18([c]%15([c]%16([c]%171C)C)C)C)C)([I]2)[c]1([c]%11([c]%12([c]%13([c]%141C)C)C)C)C)[c]1([c]7([c]8([c]3([c]41C)C)C)C)C.CCCCCC
• Title of publication: Analysis of uranium azide and nitride complexes by atmospheric pressure chemical ionization mass spectrometry.
• Authors of publication: Evans, William J.; Miller, Kevin A.; Ziller, Joseph W.; Greaves, John
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 8008 - 8018
• a: 12.3088 ± 0.0012 Å
• b: 25.188 ± 0.002 Å
• c: 16.3565 ± 0.0016 Å
• α: 90°
• β: 109.486 ± 0.002°
• γ: 90°
• Cell volume: 4780.6 ± 0.8 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 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: 0.0281
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections included in the refinement: 0.0456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No