Information card for entry 7249449

Structure parameters

• Common name: (NpO2)3(PO4)2(Terpy)
• Formula: C15 H11 N3 Np3 O14 P2
• Calculated formula: C15 H11 N3 Np3 O14 P2
• Title of publication: Hydrothermal synthesis and structure of organically templated layered neptunyl(VI) phosphate (NpO2)3(PO4)2(Terpy)
• Authors of publication: Zhang, Lei; Wang, Yu; Xu, Mengyu; Kokot, Alex M.; Qiu, Jie; Burns, Peter C.
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 13.9944 ± 0.0008 Å
• b: 12.1989 ± 0.0007 Å
• c: 13.1277 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2241.1 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.018
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections included in the refinement: 0.0455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No