Information card for entry 4311883

Structure parameters

• Formula: C62 H128 N18 O21 U4
• Calculated formula: C62 H126 N18 O21 U4
• SMILES: [U]123([N](=C=O)[U]4([N](=C=O)[U]5([N](=C=O)[U](=O)(=O)([O]15)(N=C=O)(N=C=O)[N]2=C=O)(=O)(=O)([O]34)N=C=O)(=O)(=O)(N=C=O)N=C=O)(=O)(=O)N=C=O.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.N#CC.N#CC.O
• Title of publication: First Structurally Characterized Actinide Isocyanates
• Authors of publication: Margaret-Jane Crawford; Peter Mayer; Heinrich Nöth; Max Suter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6860 - 6862
• a: 17.2787 ± 0.0002 Å
• b: 15.561 ± 0.0001 Å
• c: 32.7619 ± 0.0004 Å
• α: 90°
• β: 94.0849 ± 0.0005°
• γ: 90°
• Cell volume: 8786.44 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1041
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No