Information card for entry 4301325

Structure parameters

• Formula: C35 H46 N22 Np2 O9
• Calculated formula: C35 H46 N22 Np2 O9
• SMILES: [Np]1(=O)(=O)([O]=C2C(O1)=[O][Np](=O)(=O)(O2)([n]1cc[nH]c1)([n]1c[nH]cc1)[n]1cc[nH]c1)([n]1c[nH]cc1)([n]1c[nH]cc1)[n]1cc[nH]c1.n1c[nH]cc1.[nH]1cncc1.n1cc[nH]c1.n1c[nH]cc1.[nH]1ccnc1.O
• 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: 9.7602 ± 0.0004 Å
• b: 10.8928 ± 0.0005 Å
• c: 23.8816 ± 0.0012 Å
• α: 101.988 ± 0.003°
• β: 94.976 ± 0.003°
• γ: 104.996 ± 0.002°
• Cell volume: 2372.37 ± 0.19 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: 0.035
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No