Information card for entry 4303458

Structure parameters

• Formula: C14 H18 N2 Na3 Np O16
• Calculated formula: C14 H6 N2 Na3 Np O16
• SMILES: [Na+].O.[Na+].O.[Np]1234(=O)(=O)(OC(=O)c5cccc(C(=O)O1)[n]35)OC(=O)c1cccc(C(=O)O2)[n]14.O.[Na+].O.O.O
• Title of publication: Thermodynamics, Optical Properties, and Coordination Modes of Np(V) with Dipicolinic Acid
• Authors of publication: Guoxin Tian; Linfeng Rao; Simon J. Teat
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10158 - 10164
• a: 6.7731 ± 0.0004 Å
• b: 8.697 ± 0.0006 Å
• c: 10.4826 ± 0.0007 Å
• α: 70.547 ± 0.002°
• β: 74.312 ± 0.002°
• γ: 69.755 ± 0.002°
• Cell volume: 537.8 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No