Information card for entry 4301326

Structure parameters

• Formula: C12 H16 N9 Np O4
• Calculated formula: C12 H16 N9 Np O4
• SMILES: [Np](=O)(=O)(ON=O)([n]1c[nH]cc1)([n]1c[nH]cc1)([n]1c[nH]cc1)[n]1cc[nH]c1
• Title of publication: Interaction of Transuranium Elements with Biologically Important Molecules: Structural and Spectroscopic Study of Np(V) Complexes with Imidazole
• Authors of publication: Grigory B. Andreev; Nina A. Budantseva; Ivan G. Tananaev; Boris F. Myasoedov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1232 - 1235
• a: 8.0715 ± 0.0004 Å
• b: 8.092 ± 0.0005 Å
• c: 14.507 ± 0.0008 Å
• α: 101.547 ± 0.003°
• β: 104.552 ± 0.003°
• γ: 95.024 ± 0.003°
• Cell volume: 889.01 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0508
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No